From 893d64cd7401e65305f3394d51c988eadd76af31 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 18 May 2022 22:19:25 -0400 Subject: [PATCH 01/76] restore exception raised when 'b' mode production activity produces negative values --- periodictable/activation.py | 4 ---- 1 file changed, 4 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index b5c8d65..d711e36 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -422,10 +422,6 @@ def activity(isotope, mass, env, exposure, rest_times): activity = root/(parent_lam - lam) * ( lam*expm1(-parent_lam*exposure) - parent_lam*expm1(-lam*exposure)) #print("N", parent_lam, "O", activity) - if activity < 0: - #frac = lam/parent_lam - #print(f"{activity=} {root=} {lam=} {exposure=} {parent_lam=} {exp(-lam*exposure)=} {lam/parent_lam=} {exp(-lam*exposure)/(1-(lam/parent_lam))=} {(frac-expm1(-lam*exposure))/(1-frac)=}") - activity = 1e-10 elif ai.reaction == '2n': # Column N: 0.69/t1/2 (1/h) lambda of parent nuclide parent_lam = LN2 / ai.Thalf_parent From 54aa9c0c9a546dff154a6fb127fd0dd381248abb Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 18 May 2022 22:21:43 -0400 Subject: [PATCH 02/76] check activation calculation completes for all elements --- periodictable/activation.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index d711e36..87b8e67 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -540,11 +540,13 @@ def __init__(self, **kw): def demo(): # pragma: nocover import sys decay_level = 5e-4 - formula = sys.argv[1] fluence = 1e5 exposure = 10 mass = 1 - if 0: # Make sure all elements compute + if len(sys.argv) > 1: + formula = sys.argv[1] + else: + # Make sure all elements compute import periodictable as pt formula = "".join(str(el) for el in pt.elements)[1:] # Use an enormous mass to force significant activation of rare isotopes From a41fdf0fbb54b460eb763b81e41352668e87671f Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 3 Apr 2023 13:45:12 -0400 Subject: [PATCH 03/76] Nicer error message for trans-uranic xray sld failure. Refs #56 --- periodictable/xsf.py | 2 ++ 1 file changed, 2 insertions(+) diff --git a/periodictable/xsf.py b/periodictable/xsf.py index 3c1d060..0e924dc 100644 --- a/periodictable/xsf.py +++ b/periodictable/xsf.py @@ -414,6 +414,8 @@ def xray_sld(compound, density=None, natural_density=None, for element, quantity in compound.atoms.items(): mass += element.mass*quantity f1, f2 = element.xray.scattering_factors(energy=energy) + if f1 is None: + raise ValueError('X-ray scattering factors not available for '+str(element)) #print element, f1, f2, wavelength sum_f1 += f1*quantity sum_f2 += f2*quantity From f34833559300a612f689b79804918697ed41db34 Mon Sep 17 00:00:00 2001 From: jfkcooper Date: Fri, 23 Jun 2023 09:44:10 +0100 Subject: [PATCH 04/76] `scattering` already returns None if not self.has_sld --- periodictable/nsf.py | 2 -- 1 file changed, 2 deletions(-) diff --git a/periodictable/nsf.py b/periodictable/nsf.py index 8d1d01d..5cd6644 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -456,8 +456,6 @@ def sld(self, wavelength=ABSORPTION_WAVELENGTH): # TODO: return NaN instead of None for missing sld. # This should happen automatically if the cross sections are NaN in # the table. - if not self.has_sld(): - return None, None, None return self.scattering(wavelength=wavelength)[0] @require_keywords From ac8fba00fe81ccbbd03aabf73919822343b8ad15 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Thu, 6 Jul 2023 16:20:36 -0400 Subject: [PATCH 05/76] Use older ubuntu to test python 2.7 and 3.6 --- .github/workflows/test.yml | 12 ++++++------ 1 file changed, 6 insertions(+), 6 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 287947b..6738a87 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -13,11 +13,11 @@ jobs: strategy: matrix: cfg: - - { os: ubuntu-latest, py: 2.7 } - - { os: ubuntu-latest, py: 3.6 } - - { os: ubuntu-latest, py: 3.9, doc: 1 } - - { os: windows-latest, py: 3.9 } - - { os: macos-latest, py: 3.9 } + - { os: ubuntu-20.04, py: 2.7 } + - { os: ubuntu-20.04, py: 3.6 } + - { os: ubuntu-latest, py: 3.11, doc: 1 } + - { os: windows-latest, py: 3.11 } + - { os: macos-latest, py: 3.11 } steps: - uses: actions/checkout@v1 @@ -41,4 +41,4 @@ jobs: if: matrix.cfg.doc == 1 run: | python -m pip install sphinx - make -j 4 -C doc/sphinx SPHINXOPTS="-W --keep-going" html \ No newline at end of file + make -j 4 -C doc/sphinx SPHINXOPTS="-W --keep-going" html From 8db5aa4ddb626c9fb8d58605e2f8b9feead9b28a Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Thu, 6 Jul 2023 16:23:02 -0400 Subject: [PATCH 06/76] Drop tests for python below 3.8 --- .github/workflows/test.yml | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 6738a87..0fa18c0 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -13,8 +13,9 @@ jobs: strategy: matrix: cfg: - - { os: ubuntu-20.04, py: 2.7 } - - { os: ubuntu-20.04, py: 3.6 } + #- { os: ubuntu-20.04, py: 2.7 } + #- { os: ubuntu-20.04, py: 3.6 } + - { os: ubuntu-latest, py: 3.8 } - { os: ubuntu-latest, py: 3.11, doc: 1 } - { os: windows-latest, py: 3.11 } - { os: macos-latest, py: 3.11 } From db095a505fb481d3419ea073c0a2e1b252367e02 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Sat, 27 Jan 2024 16:51:49 -0500 Subject: [PATCH 07/76] Allow wt%/vol% in addition to %wt/%vol --- periodictable/formulas.py | 13 +++++++------ test/test_formulas.py | 2 ++ 2 files changed, 9 insertions(+), 6 deletions(-) diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 377e22a..2c795f6 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -672,7 +672,7 @@ def formula_grammar(table): separator = space+Literal('+').suppress()+space # Lookup the element in the element table - symbol = Regex("[A-Z][a-z]*") + symbol = Regex("[A-Z][a-z]?") symbol = symbol.setParseAction(lambda s, l, t: table.symbol(t[0])) # Translate isotope @@ -751,13 +751,15 @@ def convert_compound(string, location, tokens): partsep = space + Literal('//').suppress() + space percent = Literal('%').suppress() - - weight_percent = Regex("%(w((eigh)?t)?|m(ass)?)").suppress() + space + weight = Regex("(w((eigh)?t)?|m(ass)?)").suppress() + volume = Regex("v(ol(ume)?)?").suppress() + weight_percent = (percent + weight) | (weight + percent) + space + volume_percent = (percent + volume) | (volume + percent) + space by_weight = (count + weight_percent + mixture + ZeroOrMore(partsep+count+(weight_percent|percent)+mixture) + partsep + mixture) def convert_by_weight(string, location, tokens): - """convert mixture by %wt or %mass""" + """convert mixture by wt% or mass%""" #print "by weight", tokens piece = tokens[1:-1:2] + [tokens[-1]] fract = [float(v) for v in tokens[:-1:2]] @@ -770,12 +772,11 @@ def convert_by_weight(string, location, tokens): return _mix_by_weight_pairs(zip(piece, fract)) mixture_by_weight = by_weight.setParseAction(convert_by_weight) - volume_percent = Regex("%v(ol(ume)?)?").suppress() + space by_volume = (count + volume_percent + mixture + ZeroOrMore(partsep+count+(volume_percent|percent)+mixture) + partsep + mixture) def convert_by_volume(string, location, tokens): - """convert mixture by %vol""" + """convert mixture by vol%""" #print "by volume", tokens piece = tokens[1:-1:2] + [tokens[-1]] fract = [float(v) for v in tokens[:-1:2]] diff --git a/test/test_formulas.py b/test/test_formulas.py index 81ccf4b..d2e061c 100644 --- a/test/test_formulas.py +++ b/test/test_formulas.py @@ -165,6 +165,8 @@ def test(): check_formula(formula('1mm Fe // 1mm Ni'), formula('50%vol Fe // Ni')) check_formula(formula('50%vol Co // Ti'), formula('2mL Co // 2mL Ti')) check_formula(formula('50%wt Co // Ti'), formula('2g Co // 2g Ti')) + check_formula(formula('50vol% Co // Ti'), formula('2mL Co // 2mL Ti')) + check_formula(formula('50wt% Co // Ti'), formula('2g Co // 2g Ti')) check_formula(formula('2mL Co // 2mL Ti'), formula(((1.5922466356368357, Co), (1, Ti)))) check_formula(formula('2g Co // 2g Ti'), formula(((1, Co), (1.231186412350889, Ti)))) check_formula(formula('5g NaCl // 50mL H2O@1'), formula('5g NaCl // 50g H2O')) From def6e4be64009833c956c3e79dd9a794c0e48f4b Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Sat, 27 Jan 2024 17:45:40 -0500 Subject: [PATCH 08/76] change %wt/%vol to wt%/vol% in docs --- doc/sphinx/guide/formula_grammar.rst | 39 ++++++++++++++-------------- 1 file changed, 20 insertions(+), 19 deletions(-) diff --git a/doc/sphinx/guide/formula_grammar.rst b/doc/sphinx/guide/formula_grammar.rst index b87cad3..a3d9b6a 100644 --- a/doc/sphinx/guide/formula_grammar.rst +++ b/doc/sphinx/guide/formula_grammar.rst @@ -91,17 +91,17 @@ A formula string is translated into a formula using >>> print("%.3f"%formula("2D2O + H2O@1n").density) 1.074 -* Mass fractions use %wt, with the final portion adding to 100%: +* Mass fractions use wt%, with the final portion adding to 100%: - >>> print(formula("10%wt Fe // 15% Co // Ni")) + >>> print(formula("10wt% Fe // 15% Co // Ni")) FeCo1.4214Ni7.13602 Only the first item needs to specify that it is a mass fraction, and the remainder can use a bare %. -* Volume fractions use %vol, with the final portion adding to 100%: +* Volume fractions use vol%, with the final portion adding to 100%: - >>> print(formula("10%vol Fe // Ni")) + >>> print(formula("10vol% Fe // Ni")) FeNi9.68121 Only the first item needs to specify that it is a volume fraction, and @@ -134,7 +134,7 @@ A formula string is translated into a formula using * Mixtures can nest. The following is a 10% salt solution by weight mixed 20:80 by volume with D2O: - >>> print(formula("20%vol (10%wt NaCl@2.16 // H2O@1) // D2O@1n")) + >>> print(formula("20vol% (10 wt% NaCl@2.16 // H2O@1) // D2O@1n")) NaCl(H2O)29.1966(D2O)122.794 * Empty formulas are supported, e.g., for air or vacuum: @@ -151,7 +151,7 @@ The grammar used for parsing formula strings is the following: formula :: compound | mixture | nothing mixture :: quantity | percentage quantity :: count unit part ('//' count unit part)* - percentage :: count '%wt|%vol' part ('//' count '%' part)* '//' part + percentage :: count 'wt%|vol%' part ('//' count '%' part)* '//' part part :: compound | '(' mixture ')' compound :: group (separator group)* density? group :: count element+ | '(' formula ')' count @@ -206,7 +206,7 @@ to those isotopes used. This makes heavy water density easily specified as: >>> D2O = formula('D2O',natural_density=1) - >>> print("%s %.4g"%(D2O,D2O.density)) + >>> print(f"{D2O} {D2O.density:.4g}") D2O 1.112 Density can also be estimated from the volume of the unit cell, either @@ -223,19 +223,20 @@ Because the packing fraction method relies on the covalent radius estimate it is not very accurate: >>> from periodictable import elements, formula - >>> Fe = formula("2Fe") # bcc lattice has 2 atoms per unit cell - >>> Fe.density = Fe.molecular_mass/Fe.volume('bcc') - >>> print("%.3g"%Fe.density) + >>> Fe_bcc = formula("2Fe") # bcc lattice has 2 atoms per unit cell + >>> Fe_bcc.density = Fe_bcc.molecular_mass/Fe_bcc.volume('bcc') + >>> print(f"{Fe_bcc.density:.3g}") 6.55 - >>> print("%.3g"%elements.Fe.density) + >>> print(f"{elements.Fe.density:.3g}") 7.87 Using lattice parameters the results are much better: - >>> Fe.density = Fe.molecular_mass/Fe.volume(a=2.8664) - >>> print("%.3g"%Fe.density) + >>> Fe_lattice = formula("2Fe") # bcc lattice has 2 atoms per unit cell + >>> Fe_lattice.density = Fe_lattice.molecular_mass/Fe_lattice.volume(a=2.8664) + >>> print(f"{Fe_lattice.density:.3g}") 7.88 - >>> print("%.3g"%elements.Fe.density) + >>> print(f"{elements.Fe.density:.3g}") 7.87 Mixtures @@ -249,13 +250,13 @@ following is a 2:1 mixture of water and heavy water: >>> H2O = formula('H2O',natural_density=1) >>> D2O = formula('D2O',natural_density=1) >>> mix = mix_by_volume(H2O,2,D2O,1) - >>> print("%s %.4g"%(mix,mix.density)) + >>> print(f"{mix} {mix.density:.4g}") (H2O)2D2O 1.037 Note that this is different from a 2:1 mixture by weight: >>> mix = mix_by_weight(H2O,2,D2O,1) - >>> print("%s %.4g"%(mix,mix.density)) + >>> print(f"{mix} {mix.density:.4g}") (H2O)2.2234D2O 1.035 Except in the simplest of cases, the density of the mixture cannot be @@ -272,14 +273,14 @@ compute molar mass and neutron/xray scattering length density: >>> import periodictable >>> SiO2 = periodictable.formula('SiO2') >>> hydrated = SiO2 + periodictable.formula('3H2O') - >>> print('%s mass %s'%(hydrated,hydrated.mass)) + >>> print(f"{hydrated} mass {hydrated.mass}") SiO2(H2O)3 mass 114.13014 >>> rho,mu,inc = periodictable.neutron_sld('SiO2+3H2O',density=1.5,wavelength=4.75) - >>> print('%s neutron sld %.3g'%(hydrated,rho)) + >>> print(f"{hydrated} neutron sld {rho:.3g}") SiO2(H2O)3 neutron sld 0.849 >>> rho,mu = periodictable.xray_sld(hydrated,density=1.5, ... wavelength=periodictable.Cu.K_alpha) - >>> print('%s X-ray sld %.3g'%(hydrated,rho)) + >>> print(f"{hydrated} X-ray sld {rho:.3g}") SiO2(H2O)3 X-ray sld 13.5 Biomolecules From 1fa4dea9c449e296a1394c1ac580b0e03813c6f0 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 29 Jan 2024 10:23:08 -0500 Subject: [PATCH 09/76] fix markup warning in docs From e7704aec18cc37f107efae2a90dfba1e138f0440 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 13 Feb 2024 15:52:12 -0500 Subject: [PATCH 10/76] convert fortran code for magnetic ff initialization to python --- periodictable/magnetic_ff.py | 883 +++++++++++++++-------------------- test/test_magnetic_ff.py | 3 + 2 files changed, 369 insertions(+), 517 deletions(-) diff --git a/periodictable/magnetic_ff.py b/periodictable/magnetic_ff.py index 56c2a09..c9bbb63 100644 --- a/periodictable/magnetic_ff.py +++ b/periodictable/magnetic_ff.py @@ -100,530 +100,379 @@ def J_Q(self, Q): def init(table, reload=False): """Add magnetic form factor properties to the periodic table""" - if 'magnetic_ff' in table.properties and not reload: + if 'magnetic_ff' not in table.properties: + # First call to init + table.properties.append('magnetic_ff') + elif not reload: + # Repeat call to init, but reload is False return - table.properties.append('magnetic_ff') # Function for interpreting ionization state and form factor tuple - def Magnetic_Form_Type(state, values): - return state, values - - # Remove fortran continuation character, which is & at the end of the line - data = CFML_DATA.replace('&\n', '') - - # Parse each line - for line in data.split('\n'): - # Skip blank lines and comment lines - line = line.strip() - if '=' not in line: - continue - - # Remaining lines contain one of: - # Magnetic_Form(n) = Magnetic_Form_Type("M", (/FF/)) - # Magnetic_Form(n) = Magnetic_Form_Type("J", (/FF/)) - # Magnetic_j2(n) = Magnetic_Form_Type("", (/FF/)) - # Magnetic_j4(n) = Magnetic_Form_Type("", (/FF/)) - # Magnetic_j6(n) = Magnetic_Form_Type("", (/FF/)) - # The 'M' form is just j0. The 'J' form should be j0 + (1-g/2)j2. - # Split the two parts, remove the slash and figure out if we have - # j0, j2, j4, j6 or J. - a, b = line.split('=') - b = b.replace('/', '') - # The following eval is used for parsing the CFM_DATA table defined - # below, so there is no risk that it can be invoked from a web - # service with a user-defined malicious string. - state, values = eval(b) # eval checked for malicious usage - if a.startswith('Magnetic_Form'): - jn = "j0" if state[0] == 'M' else "J" - state = state[1:] - elif a.startswith('Magnetic_j2'): - jn = "j2" - elif a.startswith('Magnetic_j4'): - jn = "j4" - elif a.startswith('Magnetic_j6'): - jn = "j6" - - # Parse into element symbol and ion state - if state[1].isdigit(): - symbol = state[0] - charge = int(state[1]) - else: - symbol = state[0:2].capitalize() - charge = int(state[2]) - + def add_form_factor(jn, symbol, charge, values): # Add the magnetic form factor info to the element - el = table.symbol(symbol) + el = table.symbol(symbol.capitalize()) if not hasattr(el, 'magnetic_ff'): el.magnetic_ff = {} if charge not in el.magnetic_ff: el.magnetic_ff[charge] = MagneticFormFactor() setattr(el.magnetic_ff[charge], jn, values) -CFML_DATA = """ - Magnetic_Form( 1) = Magnetic_Form_Type("MSC0", & - (/ 0.251200, 90.029602, 0.329000, 39.402100, 0.423500, 14.322200, -0.004300/) ) - Magnetic_Form( 2) = Magnetic_Form_Type("MSC1", & - (/ 0.488900, 51.160301, 0.520300, 14.076400, -0.028600, 0.179200, 0.018500/) ) - Magnetic_Form( 3) = Magnetic_Form_Type("MSC2", & - (/ 0.504800, 31.403500, 0.518600, 10.989700, -0.024100, 1.183100, 0.000000/) ) - Magnetic_Form( 4) = Magnetic_Form_Type("MTI0", & - (/ 0.465700, 33.589802, 0.549000, 9.879100, -0.029100, 0.323200, 0.012300/) ) - Magnetic_Form( 5) = Magnetic_Form_Type("MTI1", & - (/ 0.509300, 36.703300, 0.503200, 10.371300, -0.026300, 0.310600, 0.011600/) ) - Magnetic_Form( 6) = Magnetic_Form_Type("MTI2", & - (/ 0.509100, 24.976299, 0.516200, 8.756900, -0.028100, 0.916000, 0.001500/) ) - Magnetic_Form( 7) = Magnetic_Form_Type("MTI3", & - (/ 0.357100, 22.841299, 0.668800, 8.930600, -0.035400, 0.483300, 0.009900/) ) - Magnetic_Form( 8) = Magnetic_Form_Type("MV0 ", & - (/ 0.408600, 28.810900, 0.607700, 8.543700, -0.029500, 0.276800, 0.012300/) ) - Magnetic_Form( 9) = Magnetic_Form_Type("MV1 ", & - (/ 0.444400, 32.647900, 0.568300, 9.097100, -0.228500, 0.021800, 0.215000/) ) - Magnetic_Form( 10) = Magnetic_Form_Type("MV2 ", & - (/ 0.408500, 23.852600, 0.609100, 8.245600, -0.167600, 0.041500, 0.149600/) ) - Magnetic_Form( 11) = Magnetic_Form_Type("MV3 ", & - (/ 0.359800, 19.336399, 0.663200, 7.617200, -0.306400, 0.029600, 0.283500/) ) - Magnetic_Form( 12) = Magnetic_Form_Type("MV4 ", & - (/ 0.310600, 16.816000, 0.719800, 7.048700, -0.052100, 0.302000, 0.022100/) ) - Magnetic_Form( 13) = Magnetic_Form_Type("MCR0", & - (/ 0.113500, 45.199001, 0.348100, 19.493099, 0.547700, 7.354200, -0.009200/) ) - Magnetic_Form( 14) = Magnetic_Form_Type("MCR1", & - (/ -0.097700, 0.047000, 0.454400, 26.005400, 0.557900, 7.489200, 0.083100/) ) - Magnetic_Form( 15) = Magnetic_Form_Type("MCR2", & - (/ 1.202400, -0.005500, 0.415800, 20.547501, 0.603200, 6.956000, -1.221800/) ) - Magnetic_Form( 16) = Magnetic_Form_Type("MCR3", & - (/ -0.309400, 0.027400, 0.368000, 17.035500, 0.655900, 6.523600, 0.285600/) ) - Magnetic_Form( 17) = Magnetic_Form_Type("MCR4", & - (/ -0.232000, 0.043300, 0.310100, 14.951800, 0.718200, 6.172600, 0.204200/) ) - Magnetic_Form( 18) = Magnetic_Form_Type("MMN0", & - (/ 0.243800, 24.962900, 0.147200, 15.672800, 0.618900, 6.540300, -0.010500/) ) - Magnetic_Form( 19) = Magnetic_Form_Type("MMN1", & - (/ -0.013800, 0.421300, 0.423100, 24.667999, 0.590500, 6.654500, -0.001000/) ) - Magnetic_Form( 20) = Magnetic_Form_Type("MMN2", & - (/ 0.422000, 17.684000, 0.594800, 6.005000, 0.004300, -0.609000, -0.021900/) ) - Magnetic_Form( 21) = Magnetic_Form_Type("MMN3", & - (/ 0.419800, 14.282900, 0.605400, 5.468900, 0.924100, -0.008800, -0.949800/) ) - Magnetic_Form( 22) = Magnetic_Form_Type("MMN4", & - (/ 0.376000, 12.566100, 0.660200, 5.132900, -0.037200, 0.563000, 0.001100/) ) - Magnetic_Form( 23) = Magnetic_Form_Type("MFE0", & - (/ 0.070600, 35.008499, 0.358900, 15.358300, 0.581900, 5.560600, -0.011400/) ) - Magnetic_Form( 24) = Magnetic_Form_Type("MFE1", & - (/ 0.125100, 34.963299, 0.362900, 15.514400, 0.522300, 5.591400, -0.010500/) ) - Magnetic_Form( 25) = Magnetic_Form_Type("MFE2", & - (/ 0.026300, 34.959702, 0.366800, 15.943500, 0.618800, 5.593500, -0.011900/) ) - Magnetic_Form( 26) = Magnetic_Form_Type("MFE3", & - (/ 0.397200, 13.244200, 0.629500, 4.903400, -0.031400, 0.349600, 0.004400/) ) - Magnetic_Form( 27) = Magnetic_Form_Type("MFE4", & - (/ 0.378200, 11.380000, 0.655600, 4.592000, -0.034600, 0.483300, 0.000500/) ) - Magnetic_Form( 28) = Magnetic_Form_Type("MCO0", & - (/ 0.413900, 16.161600, 0.601300, 4.780500, -0.151800, 0.021000, 0.134500/) ) - Magnetic_Form( 29) = Magnetic_Form_Type("MCO1", & - (/ 0.099000, 33.125198, 0.364500, 15.176800, 0.547000, 5.008100, -0.010900/) ) - Magnetic_Form( 30) = Magnetic_Form_Type("MCO2", & - (/ 0.433200, 14.355300, 0.585700, 4.607700, -0.038200, 0.133800, 0.017900/) ) - Magnetic_Form( 31) = Magnetic_Form_Type("MCO3", & - (/ 0.390200, 12.507800, 0.632400, 4.457400, -0.150000, 0.034300, 0.127200/) ) - Magnetic_Form( 32) = Magnetic_Form_Type("MCO4", & - (/ 0.351500, 10.778500, 0.677800, 4.234300, -0.038900, 0.240900, 0.009800/) ) - Magnetic_Form( 33) = Magnetic_Form_Type("MNI0", & - (/ -0.017200, 35.739201, 0.317400, 14.268900, 0.713600, 4.566100, -0.014300/) ) - Magnetic_Form( 34) = Magnetic_Form_Type("MNI1", & - (/ 0.070500, 35.856098, 0.398400, 13.804200, 0.542700, 4.396500, -0.011800/) ) - Magnetic_Form( 35) = Magnetic_Form_Type("MNI2", & - (/ 0.016300, 35.882599, 0.391600, 13.223300, 0.605200, 4.338800, -0.013300/) ) - Magnetic_Form( 36) = Magnetic_Form_Type("MNI3", & - (/ -0.013400, 35.867699, 0.267800, 12.332600, 0.761400, 4.236900, -0.016200/) ) - Magnetic_Form( 37) = Magnetic_Form_Type("MNI4", & - (/ -0.009000, 35.861401, 0.277600, 11.790400, 0.747400, 4.201100, -0.016300/) ) - Magnetic_Form( 38) = Magnetic_Form_Type("MCU0", & - (/ 0.090900, 34.983799, 0.408800, 11.443200, 0.512800, 3.824800, -0.012400/) ) - Magnetic_Form( 39) = Magnetic_Form_Type("MCU1", & - (/ 0.074900, 34.965599, 0.414700, 11.764200, 0.523800, 3.849700, -0.012700/) ) - Magnetic_Form( 40) = Magnetic_Form_Type("MCU2", & - (/ 0.023200, 34.968601, 0.402300, 11.564000, 0.588200, 3.842800, -0.013700/) ) - Magnetic_Form( 41) = Magnetic_Form_Type("MCU3", & - (/ 0.003100, 34.907398, 0.358200, 10.913800, 0.653100, 3.827900, -0.014700/) ) - Magnetic_Form( 42) = Magnetic_Form_Type("MCU4", & - (/ -0.013200, 30.681700, 0.280100, 11.162600, 0.749000, 3.817200, -0.016500/) ) - Magnetic_Form( 43) = Magnetic_Form_Type("MY0 ", & - (/ 0.591500, 67.608101, 1.512300, 17.900400, -1.113000, 14.135900, 0.008000/) ) - Magnetic_Form( 44) = Magnetic_Form_Type("MZR0", & - (/ 0.410600, 59.996101, 1.054300, 18.647600, -0.475100, 10.540000, 0.010600/) ) - Magnetic_Form( 45) = Magnetic_Form_Type("MZR1", & - (/ 0.453200, 59.594799, 0.783400, 21.435699, -0.245100, 9.036000, 0.009800/) ) - Magnetic_Form( 46) = Magnetic_Form_Type("MNB0", & - (/ 0.394600, 49.229698, 1.319700, 14.821600, -0.726900, 9.615600, 0.012900/) ) - Magnetic_Form( 47) = Magnetic_Form_Type("MNB1", & - (/ 0.457200, 49.918201, 1.027400, 15.725600, -0.496200, 9.157300, 0.011800/) ) - Magnetic_Form( 48) = Magnetic_Form_Type("MMO0", & - (/ 0.180600, 49.056801, 1.230600, 14.785900, -0.426800, 6.986600, 0.017100/) ) - Magnetic_Form( 49) = Magnetic_Form_Type("MMO1", & - (/ 0.350000, 48.035400, 1.030500, 15.060400, -0.392900, 7.479000, 0.013900/) ) - Magnetic_Form( 50) = Magnetic_Form_Type("MTC0", & - (/ 0.129800, 49.661098, 1.165600, 14.130700, -0.313400, 5.512900, 0.019500/) ) - Magnetic_Form( 51) = Magnetic_Form_Type("MTC1", & - (/ 0.267400, 48.956600, 0.956900, 15.141300, -0.238700, 5.457800, 0.016000/) ) - Magnetic_Form( 52) = Magnetic_Form_Type("MRU0", & - (/ 0.106900, 49.423801, 1.191200, 12.741700, -0.317600, 4.912500, 0.021300/) ) - Magnetic_Form( 53) = Magnetic_Form_Type("MRU1", & - (/ 0.441000, 33.308601, 1.477500, 9.553100, -0.936100, 6.722000, 0.017600/) ) - Magnetic_Form( 54) = Magnetic_Form_Type("MRH0", & - (/ 0.097600, 49.882500, 1.160100, 11.830700, -0.278900, 4.126600, 0.023400/) ) - Magnetic_Form( 55) = Magnetic_Form_Type("MRH1", & - (/ 0.334200, 29.756399, 1.220900, 9.438400, -0.575500, 5.332000, 0.021000/) ) - Magnetic_Form( 56) = Magnetic_Form_Type("MPD0", & - (/ 0.200300, 29.363300, 1.144600, 9.599300, -0.368900, 4.042300, 0.025100/) ) - Magnetic_Form( 57) = Magnetic_Form_Type("MPD1", & - (/ 0.503300, 24.503700, 1.998200, 6.908200, -1.524000, 5.513300, 0.021300/) ) - Magnetic_Form( 58) = Magnetic_Form_Type("MCE2", & - (/ 0.295300, 17.684601, 0.292300, 6.732900, 0.431300, 5.382700, -0.019400/) ) - Magnetic_Form( 59) = Magnetic_Form_Type("MND2", & - (/ 0.164500, 25.045300, 0.252200, 11.978200, 0.601200, 4.946100, -0.018000/) ) - Magnetic_Form( 60) = Magnetic_Form_Type("MND3", & - (/ 0.054000, 25.029301, 0.310100, 12.102000, 0.657500, 4.722300, -0.021600/) ) - Magnetic_Form( 61) = Magnetic_Form_Type("MSM2", & - (/ 0.090900, 25.203199, 0.303700, 11.856200, 0.625000, 4.236600, -0.020000/) ) - Magnetic_Form( 62) = Magnetic_Form_Type("MSM3", & - (/ 0.028800, 25.206800, 0.297300, 11.831100, 0.695400, 4.211700, -0.021300/) ) - Magnetic_Form( 63) = Magnetic_Form_Type("MEU2", & - (/ 0.075500, 25.296000, 0.300100, 11.599300, 0.643800, 4.025200, -0.019600/) ) - Magnetic_Form( 64) = Magnetic_Form_Type("MEU3", & - (/ 0.020400, 25.307800, 0.301000, 11.474400, 0.700500, 3.942000, -0.022000/) ) - Magnetic_Form( 65) = Magnetic_Form_Type("MGD2", & - (/ 0.063600, 25.382299, 0.303300, 11.212500, 0.652800, 3.787700, -0.019900/) ) - Magnetic_Form( 66) = Magnetic_Form_Type("MGD3", & - (/ 0.018600, 25.386700, 0.289500, 11.142100, 0.713500, 3.752000, -0.021700/) ) - Magnetic_Form( 67) = Magnetic_Form_Type("MTB2", & - (/ 0.054700, 25.508600, 0.317100, 10.591100, 0.649000, 3.517100, -0.021200/) ) - Magnetic_Form( 68) = Magnetic_Form_Type("MTB3", & - (/ 0.017700, 25.509501, 0.292100, 10.576900, 0.713300, 3.512200, -0.023100/) ) - Magnetic_Form( 69) = Magnetic_Form_Type("MDY2", & - (/ 0.130800, 18.315500, 0.311800, 7.664500, 0.579500, 3.146900, -0.022600/) ) - Magnetic_Form( 70) = Magnetic_Form_Type("MDY3", & - (/ 0.115700, 15.073200, 0.327000, 6.799100, 0.582100, 3.020200, -0.024900/) ) - Magnetic_Form( 71) = Magnetic_Form_Type("MHO2", & - (/ 0.099500, 18.176100, 0.330500, 7.855600, 0.592100, 2.979900, -0.023000/) ) - Magnetic_Form( 72) = Magnetic_Form_Type("MHO3", & - (/ 0.056600, 18.317600, 0.336500, 7.688000, 0.631700, 2.942700, -0.024800/) ) - Magnetic_Form( 73) = Magnetic_Form_Type("MER2", & - (/ 0.112200, 18.122299, 0.346200, 6.910600, 0.564900, 2.761400, -0.023500/) ) - Magnetic_Form( 74) = Magnetic_Form_Type("MER3", & - (/ 0.058600, 17.980200, 0.354000, 7.096400, 0.612600, 2.748200, -0.025100/) ) - Magnetic_Form( 75) = Magnetic_Form_Type("MTM2", & - (/ 0.098300, 18.323601, 0.338000, 6.917800, 0.587500, 2.662200, -0.024100/) ) - Magnetic_Form( 76) = Magnetic_Form_Type("MTM3", & - (/ 0.058100, 15.092200, 0.278700, 7.801500, 0.685400, 2.793100, -0.022400/) ) - Magnetic_Form( 77) = Magnetic_Form_Type("MYB2", & - (/ 0.085500, 18.512300, 0.294300, 7.373400, 0.641200, 2.677700, -0.021300/) ) - Magnetic_Form( 78) = Magnetic_Form_Type("MYB3", & - (/ 0.041600, 16.094900, 0.284900, 7.834100, 0.696100, 2.672500, -0.022900/) ) - Magnetic_Form( 79) = Magnetic_Form_Type("MU3 ", & - (/ 0.505800, 23.288200, 1.346400, 7.002800, -0.872400, 4.868300, 0.019200/) ) - Magnetic_Form( 80) = Magnetic_Form_Type("MU4 ", & - (/ 0.329100, 23.547501, 1.083600, 8.454000, -0.434000, 4.119600, 0.021400/) ) - Magnetic_Form( 81) = Magnetic_Form_Type("MU5 ", & - (/ 0.365000, 19.803801, 3.219900, 6.281800, -2.607700, 5.301000, 0.023300/) ) - Magnetic_Form( 82) = Magnetic_Form_Type("MNP3", & - (/ 0.515700, 20.865400, 2.278400, 5.893000, -1.816300, 4.845700, 0.021100/) ) - Magnetic_Form( 83) = Magnetic_Form_Type("MNP4", & - (/ 0.420600, 19.804600, 2.800400, 5.978300, -2.243600, 4.984800, 0.022800/) ) - Magnetic_Form( 84) = Magnetic_Form_Type("MNP5", & - (/ 0.369200, 18.190001, 3.151000, 5.850000, -2.544600, 4.916400, 0.024800/) ) - Magnetic_Form( 85) = Magnetic_Form_Type("MNP6", & - (/ 0.292900, 17.561100, 3.486600, 5.784700, -2.806600, 4.870700, 0.026700/) ) - Magnetic_Form( 86) = Magnetic_Form_Type("MPU3", & - (/ 0.384000, 16.679300, 3.104900, 5.421000, -2.514800, 4.551200, 0.026300/) ) - Magnetic_Form( 87) = Magnetic_Form_Type("MPU4", & - (/ 0.493400, 16.835501, 1.639400, 5.638400, -1.158100, 4.139900, 0.024800/) ) - Magnetic_Form( 88) = Magnetic_Form_Type("MPU5", & - (/ 0.388800, 16.559200, 2.036200, 5.656700, -1.451500, 4.255200, 0.026700/) ) - Magnetic_Form( 89) = Magnetic_Form_Type("MPU6", & - (/ 0.317200, 16.050699, 3.465400, 5.350700, -2.810200, 4.513300, 0.028100/) ) - Magnetic_Form( 90) = Magnetic_Form_Type("MAM2", & - (/ 0.474300, 21.776100, 1.580000, 5.690200, -1.077900, 4.145100, 0.021800/) ) - Magnetic_Form( 91) = Magnetic_Form_Type("MAM3", & - (/ 0.423900, 19.573900, 1.457300, 5.872200, -0.905200, 3.968200, 0.023800/) ) - Magnetic_Form( 92) = Magnetic_Form_Type("MAM4", & - (/ 0.373700, 17.862499, 1.352100, 6.042600, -0.751400, 3.719900, 0.025800/) ) - Magnetic_Form( 93) = Magnetic_Form_Type("MAM5", & - (/ 0.295600, 17.372499, 1.452500, 6.073400, -0.775500, 3.661900, 0.027700/) ) - Magnetic_Form( 94) = Magnetic_Form_Type("MAM6", & - (/ 0.230200, 16.953300, 1.486400, 6.115900, -0.745700, 3.542600, 0.029400/) ) - Magnetic_Form( 95) = Magnetic_Form_Type("MAM7", & - (/ 0.360100, 12.729900, 1.964000, 5.120300, -1.356000, 3.714200, 0.031600/) ) - Magnetic_Form( 96) = Magnetic_Form_Type("MPR3", & - (/ 0.050400, 24.998900, 0.257200, 12.037700, 0.714200, 5.003900, -0.021900/) ) - Magnetic_Form( 97) = Magnetic_Form_Type("MO1", & - (/ 0.115285, 85.197300, 0.556229, 25.252200, 0.332476, 6.362070, -0.00460676/) ) - Magnetic_Form( 98) = Magnetic_Form_Type("JCE2", & - (/ 0.031972, 8.926222, 0.265792, 7.678510, 0.682151, 2.329783, 0.020578/) ) - Magnetic_Form( 99) = Magnetic_Form_Type("JCE3", & - (/ 0.051183, 6.115375, 0.277738, 7.952485, 0.654079, 2.287000, 0.016355/) ) - Magnetic_Form(100) = Magnetic_Form_Type("JPR3", & - (/ 0.023288, 0.582954, 0.349391, 5.601756, 0.615363, 1.932779, 0.011454/) ) - Magnetic_Form(101) = Magnetic_Form_Type("JND2", & - (/ 0.089354, 2.282004, 0.206157, 1.708607, 0.669916, 2.297662, 0.048390/) ) - Magnetic_Form(102) = Magnetic_Form_Type("JND3", & - (/ 0.073287, 4.412361, 0.371485, 4.019648, 0.539459, 1.557985, 0.017335/) ) - Magnetic_Form(103) = Magnetic_Form_Type("JGD3", & - (/ 0.060537, 10.775218, 0.271475, 13.097898, 0.665241, 3.162837, 0.001566/) ) - Magnetic_Form(104) = Magnetic_Form_Type("JTB2", & - (/ 0.049801, 18.734161, 0.277437, 10.084129, 0.661194, 2.745624, 0.010774/) ) - Magnetic_Form(105) = Magnetic_Form_Type("JTB3", & - (/ 0.049792, 15.112189, 0.270644, 9.158312, 0.679388, 2.880260, -0.000131/) ) - Magnetic_Form(106) = Magnetic_Form_Type("JDY2", & - (/ 0.175586, 5.938148, 0.228867, 11.464046, 0.583298, 2.167554, 0.011186/) ) - Magnetic_Form(107) = Magnetic_Form_Type("JDY3", & - (/ 0.146536, 12.639305, 0.375822, 5.511785, 0.515731, 2.090789, 0.093576/) ) - Magnetic_Form(108) = Magnetic_Form_Type("JHO2", & - (/ 0.023234, 0.703240, 0.270745, 9.993475, 0.677581, 2.521403, 0.027101/) ) - Magnetic_Form(109) = Magnetic_Form_Type("JHO2", & - (/ 0.023234, 0.703240, 0.270745, 9.993475, 0.677581, 2.521403, 0.027101/) ) - Magnetic_Form(110) = Magnetic_Form_Type("JHO3", & - (/ 0.043204, 0.910121, 0.279392, 8.683387, 0.668537, 2.417518, 0.008207/) ) - Magnetic_Form(111) = Magnetic_Form_Type("JER2", & - (/ 0.037734, 6.081446, 0.256447, 9.598846, 0.679204, 2.139296, 0.025543/) ) - Magnetic_Form(112) = Magnetic_Form_Type("JER3", & - (/ 0.038871, 5.311772, 0.259781, 8.173226, 0.678414, 2.082836, 0.022169/) ) - Magnetic_Form(113) = Magnetic_Form_Type("JTM2", & - (/ 0.037670, 4.455198, 0.254184, 9.151058, 0.677308, 2.021746, 0.029718/) ) - Magnetic_Form(114) = Magnetic_Form_Type("JTM3", & - (/ 0.028279, 2.291633, 0.265583, 7.776700, 0.675720, 2.018924, 0.029883/) ) - Magnetic_Form(115) = Magnetic_Form_Type("JYB3", & - (/ 0.092380, 2.046342, 0.258408, 7.471918, 0.609716, 1.913869, 0.038824/) ) - Magnetic_Form(116) = Magnetic_Form_Type("JO1 ", & - (/ 0.115285, 85.197300, 0.556229, 25.252200, 0.332476, 6.362070,-0.00460676/) ) - - !---- Coefficients ----! - Magnetic_j2( 1) = Magnetic_Form_Type("SC0 ",(/10.8172,54.327, 4.7353,14.847, 0.6071, 4.218, 0.0011/)) - Magnetic_j2( 2) = Magnetic_Form_Type("SC1 ",(/ 8.5021,34.285, 3.2116,10.994, 0.4244, 3.605, 0.0009/)) - Magnetic_j2( 3) = Magnetic_Form_Type("SC2 ",(/ 4.3683,28.654, 3.7231,10.823, 0.6074, 3.668, 0.0014/)) - Magnetic_j2( 4) = Magnetic_Form_Type("TI0 ",(/ 4.3583,36.056, 3.8230,11.133, 0.6855, 3.469, 0.0020/)) - Magnetic_j2( 5) = Magnetic_Form_Type("TI1 ",(/ 6.1567,27.275, 2.6833, 8.983, 0.4070, 3.052, 0.0011/)) - Magnetic_j2( 6) = Magnetic_Form_Type("TI2 ",(/ 4.3107,18.348, 2.0960, 6.797, 0.2984, 2.548, 0.0007/)) - Magnetic_j2( 7) = Magnetic_Form_Type("TI3 ",(/ 3.3717,14.444, 1.8258, 5.713, 0.2470, 2.265, 0.0005/)) - Magnetic_j2( 8) = Magnetic_Form_Type("V0 ",(/ 3.8099,21.347, 2.3295, 7.409, 0.4333, 2.632, 0.0015/)) - Magnetic_j2( 9) = Magnetic_Form_Type("V1 ",(/ 4.7474,23.323, 2.3609, 7.808, 0.4105, 2.706, 0.0014/)) - Magnetic_j2( 10) = Magnetic_Form_Type("V2 ",(/ 3.4386,16.530, 1.9638, 6.141, 0.2997, 2.267, 0.0009/)) - Magnetic_j2( 11) = Magnetic_Form_Type("V3 ",(/ 2.3005,14.682, 2.0364, 6.130, 0.4099, 2.382, 0.0014/)) - Magnetic_j2( 12) = Magnetic_Form_Type("V4 ",(/ 1.8377,12.267, 1.8247, 5.458, 0.3979, 2.248, 0.0012/)) - Magnetic_j2( 13) = Magnetic_Form_Type("CR0 ",(/ 3.4085,20.127, 2.1006, 6.802, 0.4266, 2.394, 0.0019/)) - Magnetic_j2( 14) = Magnetic_Form_Type("CR1 ",(/ 3.7768,20.346, 2.1028, 6.893, 0.4010, 2.411, 0.0017/)) - Magnetic_j2( 15) = Magnetic_Form_Type("CR2 ",(/ 2.6422,16.060, 1.9198, 6.253, 0.4446, 2.372, 0.0020/)) - Magnetic_j2( 16) = Magnetic_Form_Type("CR3 ",(/ 1.6262,15.066, 2.0618, 6.284, 0.5281, 2.368, 0.0023/)) - Magnetic_j2( 17) = Magnetic_Form_Type("CR4 ",(/ 1.0293,13.950, 1.9933, 6.059, 0.5974, 2.346, 0.0027/)) - Magnetic_j2( 18) = Magnetic_Form_Type("MN0 ",(/ 2.6681,16.060, 1.7561, 5.640, 0.3675, 2.049, 0.0017/)) - Magnetic_j2( 19) = Magnetic_Form_Type("MN1 ",(/ 3.2953,18.695, 1.8792, 6.240, 0.3927, 2.201, 0.0022/)) - Magnetic_j2( 20) = Magnetic_Form_Type("MN2 ",(/ 2.0515,15.556, 1.8841, 6.063, 0.4787, 2.232, 0.0027/)) - Magnetic_j2( 21) = Magnetic_Form_Type("MN3 ",(/ 1.2427,14.997, 1.9567, 6.118, 0.5732, 2.258, 0.0031/)) - Magnetic_j2( 22) = Magnetic_Form_Type("MN4 ",(/ 0.7879,13.886, 1.8717, 5.743, 0.5981, 2.182, 0.0034/)) - Magnetic_j2( 23) = Magnetic_Form_Type("FE0 ",(/ 1.9405,18.473, 1.9566, 6.323, 0.5166, 2.161, 0.0036/)) - Magnetic_j2( 24) = Magnetic_Form_Type("FE1 ",(/ 2.6290,18.660, 1.8704, 6.331, 0.4690, 2.163, 0.0031/)) - Magnetic_j2( 25) = Magnetic_Form_Type("FE2 ",(/ 1.6490,16.559, 1.9064, 6.133, 0.5206, 2.137, 0.0035/)) - Magnetic_j2( 26) = Magnetic_Form_Type("FE3 ",(/ 1.3602,11.998, 1.5188, 5.003, 0.4705, 1.991, 0.0038/)) - Magnetic_j2( 27) = Magnetic_Form_Type("FE4 ",(/ 1.5582, 8.275, 1.1863, 3.279, 0.1366, 1.107,-0.0022/)) - Magnetic_j2( 28) = Magnetic_Form_Type("CO0 ",(/ 1.9678,14.170, 1.4911, 4.948, 0.3844, 1.797, 0.0027/)) - Magnetic_j2( 29) = Magnetic_Form_Type("CO1 ",(/ 2.4097,16.161, 1.5780, 5.460, 0.4095, 1.914, 0.0031/)) - Magnetic_j2( 30) = Magnetic_Form_Type("CO2 ",(/ 1.9049,11.644, 1.3159, 4.357, 0.3146, 1.645, 0.0017/)) - Magnetic_j2( 31) = Magnetic_Form_Type("CO3 ",(/ 1.7058, 8.859, 1.1409, 3.309, 0.1474, 1.090,-0.0025/)) - Magnetic_j2( 32) = Magnetic_Form_Type("CO4 ",(/ 1.3110, 8.025, 1.1551, 3.179, 0.1608, 1.130,-0.0011/)) - Magnetic_j2( 33) = Magnetic_Form_Type("NI0 ",(/ 1.0302,12.252, 1.4669, 4.745, 0.4521, 1.744, 0.0036/)) - Magnetic_j2( 34) = Magnetic_Form_Type("NI1 ",(/ 2.1040,14.866, 1.4302, 5.071, 0.4031, 1.778, 0.0034/)) - Magnetic_j2( 35) = Magnetic_Form_Type("NI2 ",(/ 1.7080,11.016, 1.2147, 4.103, 0.3150, 1.533, 0.0018/)) - Magnetic_j2( 36) = Magnetic_Form_Type("NI3 ",(/ 1.1612, 7.700, 1.0027, 3.263, 0.2719, 1.378, 0.0025/)) - Magnetic_j2( 37) = Magnetic_Form_Type("NI4 ",(/ 1.1612, 7.700, 1.0027, 3.263, 0.2719, 1.378, 0.0025/)) - Magnetic_j2( 38) = Magnetic_Form_Type("CU0 ",(/ 1.9182,14.490, 1.3329, 4.730, 0.3842, 1.639, 0.0035/)) - Magnetic_j2( 39) = Magnetic_Form_Type("CU1 ",(/ 1.8814,13.433, 1.2809, 4.545, 0.3646, 1.602, 0.0033/)) - Magnetic_j2( 40) = Magnetic_Form_Type("CU2 ",(/ 1.5189,10.478, 1.1512, 3.813, 0.2918, 1.398, 0.0017/)) - Magnetic_j2( 41) = Magnetic_Form_Type("CU3 ",(/ 1.2797, 8.450, 1.0315, 3.280, 0.2401, 1.250, 0.0015/)) - Magnetic_j2( 42) = Magnetic_Form_Type("CU4 ",(/ 0.9568, 7.448, 0.9099, 3.396, 0.3729, 1.494, 0.0049/)) - Magnetic_j2( 43) = Magnetic_Form_Type("Y0 ",(/14.4084,44.658, 5.1045,14.904,-0.0535, 3.319, 0.0028/)) - Magnetic_j2( 44) = Magnetic_Form_Type("ZR0 ",(/10.1378,35.337, 4.7734,12.545,-0.0489, 2.672, 0.0036/)) - Magnetic_j2( 45) = Magnetic_Form_Type("ZR1 ",(/11.8722,34.920, 4.0502,12.127,-0.0632, 2.828, 0.0034/)) - Magnetic_j2( 46) = Magnetic_Form_Type("NB0 ",(/ 7.4796,33.179, 5.0884,11.571,-0.0281, 1.564, 0.0047/)) - Magnetic_j2( 47) = Magnetic_Form_Type("NB1 ",(/ 8.7735,33.285, 4.6556,11.605,-0.0268, 1.539, 0.0044/)) - Magnetic_j2( 48) = Magnetic_Form_Type("MO0 ",(/ 5.1180,23.422, 4.1809, 9.208,-0.0505, 1.743, 0.0053/)) - Magnetic_j2( 49) = Magnetic_Form_Type("MO1 ",(/ 7.2367,28.128, 4.0705, 9.923,-0.0317, 1.455, 0.0049/)) - Magnetic_j2( 50) = Magnetic_Form_Type("TC0 ",(/ 4.2441,21.397, 3.9439, 8.375,-0.0371, 1.187, 0.0066/)) - Magnetic_j2( 51) = Magnetic_Form_Type("TC1 ",(/ 6.4056,24.824, 3.5400, 8.611,-0.0366, 1.485, 0.0044/)) - Magnetic_j2( 52) = Magnetic_Form_Type("RU0 ",(/ 3.7445,18.613, 3.4749, 7.420,-0.0363, 1.007, 0.0073/)) - Magnetic_j2( 53) = Magnetic_Form_Type("RU1 ",(/ 5.2826,23.683, 3.5813, 8.152,-0.0257, 0.426, 0.0131/)) - Magnetic_j2( 54) = Magnetic_Form_Type("RH0 ",(/ 3.3651,17.344, 3.2121, 6.804,-0.0350, 0.503, 0.0146/)) - Magnetic_j2( 55) = Magnetic_Form_Type("RH1 ",(/ 4.0260,18.950, 3.1663, 7.000,-0.0296, 0.486, 0.0127/)) - Magnetic_j2( 56) = Magnetic_Form_Type("PD0 ",(/ 3.3105,14.726, 2.6332, 5.862,-0.0437, 1.130, 0.0053/)) - Magnetic_j2( 57) = Magnetic_Form_Type("PD1 ",(/ 4.2749,17.900, 2.7021, 6.354,-0.0258, 0.700, 0.0071/)) - Magnetic_j2( 58) = Magnetic_Form_Type("CE2 ",(/ 0.9809,18.063, 1.8413, 7.769, 0.9905, 2.845, 0.0120/)) - Magnetic_j2( 59) = Magnetic_Form_Type("ND2 ",(/ 1.4530,18.340, 1.6196, 7.285, 0.8752, 2.622, 0.0126/)) - Magnetic_j2( 60) = Magnetic_Form_Type("ND3 ",(/ 0.6751,18.342, 1.6272, 7.260, 0.9644, 2.602, 0.0150/)) - Magnetic_j2( 61) = Magnetic_Form_Type("SM2 ",(/ 1.0360,18.425, 1.4769, 7.032, 0.8810, 2.437, 0.0152/)) - Magnetic_j2( 62) = Magnetic_Form_Type("SM3 ",(/ 0.4707,18.430, 1.4261, 7.034, 0.9574, 2.439, 0.0182/)) - Magnetic_j2( 63) = Magnetic_Form_Type("EU2 ",(/ 0.8970,18.443, 1.3769, 7.005, 0.9060, 2.421, 0.0190/)) - Magnetic_j2( 64) = Magnetic_Form_Type("EU3 ",(/ 0.3985,18.451, 1.3307, 6.956, 0.9603, 2.378, 0.0197/)) - Magnetic_j2( 65) = Magnetic_Form_Type("GD2 ",(/ 0.7756,18.469, 1.3124, 6.899, 0.8956, 2.338, 0.0199/)) - Magnetic_j2( 66) = Magnetic_Form_Type("GD3 ",(/ 0.3347,18.476, 1.2465, 6.877, 0.9537, 2.318, 0.0217/)) - Magnetic_j2( 67) = Magnetic_Form_Type("TB2 ",(/ 0.6688,18.491, 1.2487, 6.822, 0.8888, 2.275, 0.0215/)) - Magnetic_j2( 68) = Magnetic_Form_Type("TB3 ",(/ 0.2892,18.497, 1.1678, 6.797, 0.9437, 2.257, 0.0232/)) - Magnetic_j2( 69) = Magnetic_Form_Type("DY2 ",(/ 0.5917,18.511, 1.1828, 6.747, 0.8801, 2.214, 0.0229/)) - Magnetic_j2( 70) = Magnetic_Form_Type("DY3 ",(/ 0.2523,18.517, 1.0914, 6.736, 0.9345, 2.208, 0.0250/)) - Magnetic_j2( 71) = Magnetic_Form_Type("HO2 ",(/ 0.5094,18.515, 1.1234, 6.706, 0.8727, 2.159, 0.0242/)) - Magnetic_j2( 72) = Magnetic_Form_Type("HO3 ",(/ 0.2188,18.516, 1.0240, 6.707, 0.9251, 2.161, 0.0268/)) - Magnetic_j2( 73) = Magnetic_Form_Type("ER2 ",(/ 0.4693,18.528, 1.0545, 6.649, 0.8679, 2.120, 0.0261/)) - Magnetic_j2( 74) = Magnetic_Form_Type("ER3 ",(/ 0.1710,18.534, 0.9879, 6.625, 0.9044, 2.100, 0.0278/)) - Magnetic_j2( 75) = Magnetic_Form_Type("TM2 ",(/ 0.4198,18.542, 0.9959, 6.600, 0.8593, 2.082, 0.0284/)) - Magnetic_j2( 76) = Magnetic_Form_Type("TM3 ",(/ 0.1760,18.542, 0.9105, 6.579, 0.8970, 2.062, 0.0294/)) - Magnetic_j2( 77) = Magnetic_Form_Type("YB2 ",(/ 0.3852,18.550, 0.9415, 6.551, 0.8492, 2.043, 0.0301/)) - Magnetic_j2( 78) = Magnetic_Form_Type("YB3 ",(/ 0.1570,18.555, 0.8484, 6.540, 0.8880, 2.037, 0.0318/)) - Magnetic_j2( 79) = Magnetic_Form_Type("U3 ",(/ 4.1582,16.534, 2.4675, 5.952,-0.0252, 0.765, 0.0057/)) - Magnetic_j2( 80) = Magnetic_Form_Type("U4 ",(/ 3.7449,13.894, 2.6453, 4.863,-0.5218, 3.192, 0.0009/)) - Magnetic_j2( 81) = Magnetic_Form_Type("U5 ",(/ 3.0724,12.546, 2.3076, 5.231,-0.0644, 1.474, 0.0035/)) - Magnetic_j2( 82) = Magnetic_Form_Type("NP3 ",(/ 3.7170,15.133, 2.3216, 5.503,-0.0275, 0.800, 0.0052/)) - Magnetic_j2( 83) = Magnetic_Form_Type("NP4 ",(/ 2.9203,14.646, 2.5979, 5.559,-0.0301, 0.367, 0.0141/)) - Magnetic_j2( 84) = Magnetic_Form_Type("NP5 ",(/ 2.3308,13.654, 2.7219, 5.494,-0.1357, 0.049, 0.1224/)) - Magnetic_j2( 85) = Magnetic_Form_Type("NP6 ",(/ 1.8245,13.180, 2.8508, 5.407,-0.1579, 0.044, 0.1438/)) - Magnetic_j2( 86) = Magnetic_Form_Type("PU3 ",(/ 2.0885,12.871, 2.5961, 5.190,-0.1465, 0.039, 0.1343/)) - Magnetic_j2( 87) = Magnetic_Form_Type("PU4 ",(/ 2.7244,12.926, 2.3387, 5.163,-0.1300, 0.046, 0.1177/)) - Magnetic_j2( 88) = Magnetic_Form_Type("PU5 ",(/ 2.1409,12.832, 2.5664, 5.152,-0.1338, 0.046, 0.1210/)) - Magnetic_j2( 89) = Magnetic_Form_Type("PU6 ",(/ 1.7262,12.324, 2.6652, 5.066,-0.1695, 0.041, 0.1550/)) - Magnetic_j2( 90) = Magnetic_Form_Type("AM2 ",(/ 3.5237,15.955, 2.2855, 5.195,-0.0142, 0.585, 0.0033/)) - Magnetic_j2( 91) = Magnetic_Form_Type("AM3 ",(/ 2.8622,14.733, 2.4099, 5.144,-0.1326, 0.031, 0.1233/)) - Magnetic_j2( 92) = Magnetic_Form_Type("AM4 ",(/ 2.4141,12.948, 2.3687, 4.945,-0.2490, 0.022, 0.2371/)) - Magnetic_j2( 93) = Magnetic_Form_Type("AM5 ",(/ 2.0109,12.053, 2.4155, 4.836,-0.2264, 0.027, 0.2128/)) - Magnetic_j2( 94) = Magnetic_Form_Type("AM6 ",(/ 1.6778,11.337, 2.4531, 4.725,-0.2043, 0.034, 0.1892/)) - Magnetic_j2( 95) = Magnetic_Form_Type("AM7 ",(/ 1.8845, 9.161, 2.0746, 4.042,-0.1318, 1.723, 0.0020/)) - - !---- Coefficients ----! - Magnetic_j4( 1) = Magnetic_Form_Type("SC0 ",(/ 1.3420,10.200, 0.3837, 3.079, 0.0468, 0.118,-0.0328/)) - Magnetic_j4( 2) = Magnetic_Form_Type("SC1 ",(/ 7.1167,15.487,-6.6671,18.269, 0.4900, 2.992, 0.0047/)) - Magnetic_j4( 3) = Magnetic_Form_Type("SC2 ",(/-1.6684,15.648, 1.7742, 9.062, 0.4075, 2.412, 0.0042/)) - Magnetic_j4( 4) = Magnetic_Form_Type("TI0 ",(/-2.1515,11.271, 2.5149, 8.859, 0.3555, 2.149, 0.0045/)) - Magnetic_j4( 5) = Magnetic_Form_Type("TI1 ",(/-1.0383,16.190, 1.4699, 8.924, 0.3631, 2.283, 0.0044/)) - Magnetic_j4( 6) = Magnetic_Form_Type("TI2 ",(/-1.3242,15.310, 1.2042, 7.899, 0.3976, 2.156, 0.0051/)) - Magnetic_j4( 7) = Magnetic_Form_Type("TI3 ",(/-1.1117,14.635, 0.7689, 6.927, 0.4385, 2.089, 0.0060/)) - Magnetic_j4( 8) = Magnetic_Form_Type("V0 ",(/-0.9633,15.273, 0.9274, 7.732, 0.3891, 2.053, 0.0063/)) - Magnetic_j4( 9) = Magnetic_Form_Type("V1 ",(/-0.9606,15.545, 1.1278, 8.118, 0.3653, 2.097, 0.0056/)) - Magnetic_j4( 10) = Magnetic_Form_Type("V2 ",(/-1.1729,14.973, 0.9092, 7.613, 0.4105, 2.039, 0.0067/)) - Magnetic_j4( 11) = Magnetic_Form_Type("V3 ",(/-0.9417,14.205, 0.5284, 6.607, 0.4411, 1.967, 0.0076/)) - Magnetic_j4( 12) = Magnetic_Form_Type("V4 ",(/-0.7654,13.097, 0.3071, 5.674, 0.4476, 1.871, 0.0081/)) - Magnetic_j4( 13) = Magnetic_Form_Type("CR0 ",(/-0.6670,19.613, 0.5342, 6.478, 0.3641, 1.905, 0.0073/)) - Magnetic_j4( 14) = Magnetic_Form_Type("CR1 ",(/-0.8309,18.043, 0.7252, 7.531, 0.3828, 2.003, 0.0073/)) - Magnetic_j4( 15) = Magnetic_Form_Type("CR2 ",(/-0.8930,15.664, 0.5590, 7.033, 0.4093, 1.924, 0.0081/)) - Magnetic_j4( 16) = Magnetic_Form_Type("CR3 ",(/-0.7327,14.073, 0.3268, 5.674, 0.4114, 1.810, 0.0085/)) - Magnetic_j4( 17) = Magnetic_Form_Type("CR4 ",(/-0.6748,12.946, 0.1805, 6.753, 0.4526, 1.800, 0.0098/)) - Magnetic_j4( 18) = Magnetic_Form_Type("MN0 ",(/-0.5452,15.471, 0.4406, 4.902, 0.2884, 1.543, 0.0059/)) - Magnetic_j4( 19) = Magnetic_Form_Type("MN1 ",(/-0.7947,17.867, 0.6078, 7.704, 0.3798, 1.905, 0.0087/)) - Magnetic_j4( 20) = Magnetic_Form_Type("MN2 ",(/-0.7416,15.255, 0.3831, 6.469, 0.3935, 1.800, 0.0093/)) - Magnetic_j4( 21) = Magnetic_Form_Type("MN3 ",(/-0.6603,13.607, 0.2322, 6.218, 0.4104, 1.740, 0.0101/)) - Magnetic_j4( 22) = Magnetic_Form_Type("MN4 ",(/-0.5127,13.461, 0.0313, 7.763, 0.4282, 1.701, 0.0113/)) - Magnetic_j4( 23) = Magnetic_Form_Type("FE0 ",(/-0.5029,19.677, 0.2999, 3.776, 0.2576, 1.424, 0.0071/)) - Magnetic_j4( 24) = Magnetic_Form_Type("FE1 ",(/-0.5109,19.250, 0.3896, 4.891, 0.2810, 1.526, 0.0069/)) - Magnetic_j4( 25) = Magnetic_Form_Type("FE2 ",(/-0.5401,17.227, 0.2865, 3.742, 0.2658, 1.424, 0.0076/)) - Magnetic_j4( 26) = Magnetic_Form_Type("FE3 ",(/-0.5507,11.493, 0.2153, 4.906, 0.3468, 1.523, 0.0095/)) - Magnetic_j4( 27) = Magnetic_Form_Type("FE4 ",(/-0.5352, 9.507, 0.1783, 5.175, 0.3584, 1.469, 0.0097/)) - Magnetic_j4( 28) = Magnetic_Form_Type("CO0 ",(/-0.4221,14.195, 0.2900, 3.979, 0.2469, 1.286, 0.0063/)) - Magnetic_j4( 29) = Magnetic_Form_Type("CO1 ",(/-0.4115,14.561, 0.3580, 4.717, 0.2644, 1.418, 0.0074/)) - Magnetic_j4( 30) = Magnetic_Form_Type("CO2 ",(/-0.4759,14.046, 0.2747, 3.731, 0.2458, 1.250, 0.0057/)) - Magnetic_j4( 31) = Magnetic_Form_Type("CO3 ",(/-0.4466,13.391, 0.1419, 3.011, 0.2773, 1.335, 0.0093/)) - Magnetic_j4( 32) = Magnetic_Form_Type("CO4 ",(/-0.4091,13.194,-0.0194, 3.417, 0.3534, 1.421, 0.0112/)) - Magnetic_j4( 33) = Magnetic_Form_Type("NI0 ",(/-0.4428,14.485, 0.0870, 3.234, 0.2932, 1.331, 0.0096/)) - Magnetic_j4( 34) = Magnetic_Form_Type("NI1 ",(/-0.3836,13.425, 0.3116, 4.462, 0.2471, 1.309, 0.0079/)) - Magnetic_j4( 35) = Magnetic_Form_Type("NI2 ",(/-0.3803,10.403, 0.2838, 3.378, 0.2108, 1.104, 0.0050/)) - Magnetic_j4( 36) = Magnetic_Form_Type("NI3 ",(/-0.3715, 8.952, 0.1211, 2.940, 0.2526, 1.105, 0.0061/)) - Magnetic_j4( 37) = Magnetic_Form_Type("NI4 ",(/-0.3509, 8.157, 0.2220, 2.106, 0.1567, 0.925, 0.0065/)) - Magnetic_j4( 38) = Magnetic_Form_Type("CU0 ",(/-0.3204,15.132, 0.2335, 4.021, 0.2312, 1.196, 0.0068/)) - Magnetic_j4( 39) = Magnetic_Form_Type("CU1 ",(/-0.3572,15.125, 0.2336, 3.966, 0.2315, 1.197, 0.0070/)) - Magnetic_j4( 40) = Magnetic_Form_Type("CU2 ",(/-0.3914,14.740, 0.1275, 3.384, 0.2548, 1.255, 0.0103/)) - Magnetic_j4( 41) = Magnetic_Form_Type("CU3 ",(/-0.3671,14.082,-0.0078, 3.315, 0.3154, 1.377, 0.0132/)) - Magnetic_j4( 42) = Magnetic_Form_Type("CU4 ",(/-0.2915,14.124,-0.1065, 4.201, 0.3247, 1.352, 0.0148/)) - Magnetic_j4( 43) = Magnetic_Form_Type("Y0 ",(/-8.0767,32.201, 7.9197,25.156, 1.4067, 6.827,-0.0001/)) - Magnetic_j4( 44) = Magnetic_Form_Type("ZR0 ",(/-5.2697,32.868, 4.1930,24.183, 1.5202, 6.048,-0.0002/)) - Magnetic_j4( 45) = Magnetic_Form_Type("ZR1 ",(/-5.6384,33.607, 4.6729,22.338, 1.3258, 5.924,-0.0003/)) - Magnetic_j4( 46) = Magnetic_Form_Type("NB0 ",(/-3.1377,25.595, 2.3411,16.569, 1.2304, 4.990,-0.0005/)) - Magnetic_j4( 47) = Magnetic_Form_Type("NB1 ",(/-3.3598,25.820, 2.8297,16.427, 1.1203, 4.982,-0.0005/)) - Magnetic_j4( 48) = Magnetic_Form_Type("MO0 ",(/-2.8860,20.572, 1.8130,14.628, 1.1899, 4.264,-0.0008/)) - Magnetic_j4( 49) = Magnetic_Form_Type("MO1 ",(/-3.2618,25.486, 2.3596,16.462, 1.1164, 4.491,-0.0007/)) - Magnetic_j4( 50) = Magnetic_Form_Type("TC0 ",(/-2.7975,20.159, 1.6520,16.261, 1.1726, 3.943,-0.0008/)) - Magnetic_j4( 51) = Magnetic_Form_Type("TC1 ",(/-2.0470,19.683, 1.6306,11.592, 0.8698, 3.769,-0.0010/)) - Magnetic_j4( 52) = Magnetic_Form_Type("RU0 ",(/-1.5042,17.949, 0.6027, 9.961, 0.9700, 3.393,-0.0010/)) - Magnetic_j4( 53) = Magnetic_Form_Type("RU1 ",(/-1.6278,18.506, 1.1828,10.189, 0.8138, 3.418,-0.0009/)) - Magnetic_j4( 54) = Magnetic_Form_Type("RH0 ",(/-1.3492,17.577, 0.4527,10.507, 0.9285, 3.155,-0.0009/)) - Magnetic_j4( 55) = Magnetic_Form_Type("RH1 ",(/-1.4673,17.957, 0.7381, 9.944, 0.8485, 3.126,-0.0012/)) - Magnetic_j4( 56) = Magnetic_Form_Type("PD0 ",(/-1.1955,17.628, 0.3183,11.309, 0.8696, 2.909,-0.0006/)) - Magnetic_j4( 57) = Magnetic_Form_Type("PD1 ",(/-1.4098,17.765, 0.7927, 9.999, 0.7710, 2.930,-0.0006/)) - Magnetic_j4( 58) = Magnetic_Form_Type("CE2 ",(/-0.6468,10.533, 0.4052, 5.624, 0.3412, 1.535, 0.0080/)) - Magnetic_j4( 59) = Magnetic_Form_Type("ND2 ",(/-0.5416,12.204, 0.3571, 6.169, 0.3154, 1.485, 0.0098/)) - Magnetic_j4( 60) = Magnetic_Form_Type("ND3 ",(/-0.4053,14.014, 0.0329, 7.005, 0.3759, 1.707, 0.0209/)) - Magnetic_j4( 61) = Magnetic_Form_Type("SM2 ",(/-0.4150,14.057, 0.1368, 7.032, 0.3272, 1.582, 0.0192/)) - Magnetic_j4( 62) = Magnetic_Form_Type("SM3 ",(/-0.4288,10.052, 0.1782, 5.019, 0.2833, 1.236, 0.0088/)) - Magnetic_j4( 63) = Magnetic_Form_Type("EU2 ",(/-0.4145,10.193, 0.2447, 5.164, 0.2661, 1.205, 0.0065/)) - Magnetic_j4( 64) = Magnetic_Form_Type("EU3 ",(/-0.4095,10.211, 0.1485, 5.175, 0.2720, 1.237, 0.0131/)) - Magnetic_j4( 65) = Magnetic_Form_Type("GD2 ",(/-0.3824,10.344, 0.1955, 5.306, 0.2622, 1.203, 0.0097/)) - Magnetic_j4( 66) = Magnetic_Form_Type("GD3 ",(/-0.3621,10.353, 0.1016, 5.310, 0.2649, 1.219, 0.0147/)) - Magnetic_j4( 67) = Magnetic_Form_Type("TB2 ",(/-0.3443,10.469, 0.1481, 5.416, 0.2575, 1.182, 0.0104/)) - Magnetic_j4( 68) = Magnetic_Form_Type("TB3 ",(/-0.3228,10.476, 0.0638, 5.419, 0.2566, 1.196, 0.0159/)) - Magnetic_j4( 69) = Magnetic_Form_Type("DY2 ",(/-0.3206,12.071, 0.0904, 8.026, 0.2616, 1.230, 0.0143/)) - Magnetic_j4( 70) = Magnetic_Form_Type("DY3 ",(/-0.2829, 9.525, 0.0565, 4.429, 0.2437, 1.066, 0.0092/)) - Magnetic_j4( 71) = Magnetic_Form_Type("HO2 ",(/-0.2976, 9.719, 0.1224, 4.635, 0.2279, 1.005, 0.0063/)) - Magnetic_j4( 72) = Magnetic_Form_Type("HO3 ",(/-0.2717, 9.731, 0.0474, 4.638, 0.2292, 1.047, 0.0124/)) - Magnetic_j4( 73) = Magnetic_Form_Type("ER2 ",(/-0.2975, 9.829, 0.1189, 4.741, 0.2116, 1.004, 0.0117/)) - Magnetic_j4( 74) = Magnetic_Form_Type("ER3 ",(/-0.2568, 9.834, 0.0356, 4.741, 0.2172, 1.028, 0.0148/)) - Magnetic_j4( 75) = Magnetic_Form_Type("TM2 ",(/-0.2677, 9.888, 0.0925, 4.784, 0.2056, 0.990, 0.0124/)) - Magnetic_j4( 76) = Magnetic_Form_Type("TM3 ",(/-0.2292, 9.895, 0.0124, 4.785, 0.2108, 1.007, 0.0151/)) - Magnetic_j4( 77) = Magnetic_Form_Type("YB2 ",(/-0.2393, 9.947, 0.0663, 4.823, 0.2009, 0.965, 0.0122/)) - Magnetic_j4( 78) = Magnetic_Form_Type("YB3 ",(/-0.2121, 8.197, 0.0325, 3.153, 0.1975, 0.884, 0.0093/)) - Magnetic_j4( 79) = Magnetic_Form_Type("U3 ",(/-0.9859,16.601, 0.6116, 6.515, 0.6020, 2.597,-0.0010/)) - Magnetic_j4( 80) = Magnetic_Form_Type("U4 ",(/-1.0540,16.605, 0.4339, 6.512, 0.6746, 2.599,-0.0011/)) - Magnetic_j4( 81) = Magnetic_Form_Type("U5 ",(/-0.9588,16.485, 0.1576, 6.440, 0.7785, 2.640,-0.0010/)) - Magnetic_j4( 82) = Magnetic_Form_Type("NP3 ",(/-0.9029,16.586, 0.4006, 6.470, 0.6545, 2.563,-0.0004/)) - Magnetic_j4( 83) = Magnetic_Form_Type("NP4 ",(/-0.9887,12.441, 0.5918, 5.294, 0.5306, 2.263,-0.0021/)) - Magnetic_j4( 84) = Magnetic_Form_Type("NP5 ",(/-0.8146,16.581,-0.0055, 6.475, 0.7956, 2.562,-0.0004/)) - Magnetic_j4( 85) = Magnetic_Form_Type("NP6 ",(/-0.6738,16.553,-0.2297, 6.505, 0.8513, 2.553,-0.0003/)) - Magnetic_j4( 86) = Magnetic_Form_Type("PU3 ",(/-0.7014,16.369,-0.1162, 6.697, 0.7778, 2.450, 0.0000/)) - Magnetic_j4( 87) = Magnetic_Form_Type("PU4 ",(/-0.9160,12.203, 0.4891, 5.127, 0.5290, 2.149,-0.0022/)) - Magnetic_j4( 88) = Magnetic_Form_Type("PU5 ",(/-0.7035,16.360,-0.0979, 6.706, 0.7726, 2.447, 0.0000/)) - Magnetic_j4( 89) = Magnetic_Form_Type("PU6 ",(/-0.5560,16.322,-0.3046, 6.768, 0.8146, 2.426, 0.0001/)) - Magnetic_j4( 90) = Magnetic_Form_Type("AM2 ",(/-0.7433,16.416, 0.3481, 6.788, 0.6014, 2.346, 0.0000/)) - Magnetic_j4( 91) = Magnetic_Form_Type("AM3 ",(/-0.8092,12.854, 0.4161, 5.459, 0.5476, 2.172,-0.0011/)) - Magnetic_j4( 92) = Magnetic_Form_Type("AM4 ",(/-0.8548,12.226, 0.3037, 5.909, 0.6173, 2.188,-0.0016/)) - Magnetic_j4( 93) = Magnetic_Form_Type("AM5 ",(/-0.6538,15.462,-0.0948, 5.997, 0.7295, 2.297, 0.0000/)) - Magnetic_j4( 94) = Magnetic_Form_Type("AM6 ",(/-0.5390,15.449,-0.2689, 6.017, 0.7711, 2.297, 0.0002/)) - Magnetic_j4( 95) = Magnetic_Form_Type("AM7 ",(/-0.4688,12.019,-0.2692, 7.042, 0.7297, 2.164,-0.0011/)) - - !---- Coefficients ----! - Magnetic_j6( 1) = Magnetic_Form_Type("CE2 ",(/-0.1212, 7.994,-0.0639, 4.024, 0.1519, 1.096, 0.0078/)) - Magnetic_j6( 2) = Magnetic_Form_Type("ND2 ",(/-0.1600, 8.009, 0.0272, 4.028, 0.1104, 1.068, 0.0139/)) - Magnetic_j6( 3) = Magnetic_Form_Type("ND3 ",(/-0.0416, 8.014,-0.1261, 4.040, 0.1400, 1.087, 0.0102/)) - Magnetic_j6( 4) = Magnetic_Form_Type("SM2 ",(/-0.1428, 6.041, 0.0723, 2.033, 0.0550, 0.513, 0.0081/)) - Magnetic_j6( 5) = Magnetic_Form_Type("SM3 ",(/-0.0944, 6.030,-0.0498, 2.074, 0.1372, 0.645,-0.0132/)) - Magnetic_j6( 6) = Magnetic_Form_Type("EU2 ",(/-0.1252, 6.049, 0.0507, 2.085, 0.0572, 0.646, 0.0132/)) - Magnetic_j6( 7) = Magnetic_Form_Type("EU3 ",(/-0.0817, 6.039,-0.0596, 2.120, 0.1243, 0.764,-0.0001/)) - Magnetic_j6( 8) = Magnetic_Form_Type("GD2 ",(/-0.1351, 5.030, 0.0828, 2.025, 0.0315, 0.503, 0.0187/)) - Magnetic_j6( 9) = Magnetic_Form_Type("GD3 ",(/-0.0662, 6.031,-0.0850, 2.154, 0.1323, 0.891, 0.0048/)) - Magnetic_j6( 10) = Magnetic_Form_Type("TB2 ",(/-0.0758, 6.032,-0.0540, 2.158, 0.1199, 0.890, 0.0051/)) - Magnetic_j6( 11) = Magnetic_Form_Type("TB3 ",(/-0.0559, 6.031,-0.1020, 2.237, 0.1264, 1.107, 0.0167/)) - Magnetic_j6( 12) = Magnetic_Form_Type("DY2 ",(/-0.0568, 6.032,-0.1003, 2.240, 0.1401, 1.106, 0.0109/)) - Magnetic_j6( 13) = Magnetic_Form_Type("DY3 ",(/-0.0423, 6.038,-0.1248, 2.244, 0.1359, 1.200, 0.0188/)) - Magnetic_j6( 14) = Magnetic_Form_Type("HO2 ",(/-0.0725, 6.045,-0.0318, 2.243, 0.0738, 1.202, 0.0252/)) - Magnetic_j6( 15) = Magnetic_Form_Type("HO3 ",(/-0.0289, 6.050,-0.1545, 2.230, 0.1550, 1.260, 0.0177/)) - Magnetic_j6( 16) = Magnetic_Form_Type("ER2 ",(/-0.0648, 6.056,-0.0515, 2.230, 0.0825, 1.264, 0.0250/)) - Magnetic_j6( 17) = Magnetic_Form_Type("ER3 ",(/-0.0110, 6.061,-0.1954, 2.224, 0.1818, 1.296, 0.0149/)) - Magnetic_j6( 18) = Magnetic_Form_Type("TM2 ",(/-0.0842, 4.070, 0.0807, 0.849,-0.2087, 0.039, 0.2095/)) - Magnetic_j6( 19) = Magnetic_Form_Type("TM3 ",(/-0.0727, 4.073, 0.0243, 0.689, 3.9459, 0.002,-3.9076/)) - Magnetic_j6( 20) = Magnetic_Form_Type("YB2 ",(/-0.0739, 5.031, 0.0140, 2.030, 0.0351, 0.508, 0.0174/)) - Magnetic_j6( 21) = Magnetic_Form_Type("YB3 ",(/-0.0345, 5.007,-0.0677, 2.020, 0.0985, 0.549,-0.0076/)) - Magnetic_j6( 22) = Magnetic_Form_Type("U3 ",(/-0.3797, 9.953, 0.0459, 5.038, 0.2748, 1.607, 0.0016/)) - Magnetic_j6( 23) = Magnetic_Form_Type("U4 ",(/-0.1793,11.896,-0.2269, 5.428, 0.3291, 1.701, 0.0030/)) - Magnetic_j6( 24) = Magnetic_Form_Type("U5 ",(/-0.0399,11.891,-0.3458, 5.580, 0.3340, 1.645, 0.0029/)) - Magnetic_j6( 25) = Magnetic_Form_Type("NP3 ",(/-0.2427,11.844,-0.1129, 5.377, 0.2848, 1.568, 0.0022/)) - Magnetic_j6( 26) = Magnetic_Form_Type("NP4 ",(/-0.2436, 9.599,-0.1317, 4.101, 0.3029, 1.545, 0.0019/)) - Magnetic_j6( 27) = Magnetic_Form_Type("NP5 ",(/-0.1157, 9.565,-0.2654, 4.260, 0.3298, 1.549, 0.0025/)) - Magnetic_j6( 28) = Magnetic_Form_Type("NP6 ",(/-0.0128, 9.569,-0.3611, 4.304, 0.3419, 1.541, 0.0032/)) - Magnetic_j6( 29) = Magnetic_Form_Type("PU3 ",(/-0.0364, 9.572,-0.3181, 4.342, 0.3210, 1.523, 0.0041/)) - Magnetic_j6( 30) = Magnetic_Form_Type("PU4 ",(/-0.2394, 7.837,-0.0785, 4.024, 0.2643, 1.378, 0.0012/)) - Magnetic_j6( 31) = Magnetic_Form_Type("PU5 ",(/-0.1090, 7.819,-0.2243, 4.100, 0.2947, 1.404, 0.0015/)) - Magnetic_j6( 32) = Magnetic_Form_Type("PU6 ",(/-0.0001, 7.820,-0.3354, 4.144, 0.3097, 1.403, 0.0020/)) - Magnetic_j6( 33) = Magnetic_Form_Type("AM2 ",(/-0.3176, 7.864, 0.0771, 4.161, 0.2194, 1.339, 0.0018/)) - Magnetic_j6( 34) = Magnetic_Form_Type("AM3 ",(/-0.3159, 6.982, 0.0682, 3.995, 0.2141, 1.188,-0.0015/)) - Magnetic_j6( 35) = Magnetic_Form_Type("AM4 ",(/-0.1787, 7.880,-0.1274, 4.090, 0.2565, 1.315, 0.0017/)) - Magnetic_j6( 36) = Magnetic_Form_Type("AM5 ",(/-0.0927, 6.073,-0.2227, 3.784, 0.2916, 1.372, 0.0026/)) - Magnetic_j6( 37) = Magnetic_Form_Type("AM6 ",(/ 0.0152, 6.079,-0.3549, 3.861, 0.3125, 1.403, 0.0036/)) - Magnetic_j6( 38) = Magnetic_Form_Type("AM7 ",(/ 0.1292, 6.082,-0.4689, 3.879, 0.3234, 1.393, 0.0042/)) -""" + # Transformed from fortran with: + # Magnetic_{ff}({index}) & + # = Magnetic_Form_Type("{el}{charge}", (/{vector}/) ) + # turning into: + # add_form_factor("{ff}", "{el}", {charge}, ({vector}) ) + # where {ff} was one of j2, j4, j6. For Magnetic_Form, the first parameter + # was "M{el}{charge}" or "J{el}{charge}", turning into ff="j0" and ff="J" + # respectively. + # !---- Form coefficients ----! + add_form_factor("j0", "SC", 0, ( 0.251200, 90.029602, 0.329000, 39.402100, 0.423500, 14.322200, -0.004300) ) + add_form_factor("j0", "SC", 1, ( 0.488900, 51.160301, 0.520300, 14.076400, -0.028600, 0.179200, 0.018500) ) + add_form_factor("j0", "SC", 2, ( 0.504800, 31.403500, 0.518600, 10.989700, -0.024100, 1.183100, 0.000000) ) + add_form_factor("j0", "TI", 0, ( 0.465700, 33.589802, 0.549000, 9.879100, -0.029100, 0.323200, 0.012300) ) + add_form_factor("j0", "TI", 1, ( 0.509300, 36.703300, 0.503200, 10.371300, -0.026300, 0.310600, 0.011600) ) + add_form_factor("j0", "TI", 2, ( 0.509100, 24.976299, 0.516200, 8.756900, -0.028100, 0.916000, 0.001500) ) + add_form_factor("j0", "TI", 3, ( 0.357100, 22.841299, 0.668800, 8.930600, -0.035400, 0.483300, 0.009900) ) + add_form_factor("j0", "V", 0, ( 0.408600, 28.810900, 0.607700, 8.543700, -0.029500, 0.276800, 0.012300) ) + add_form_factor("j0", "V", 1, ( 0.444400, 32.647900, 0.568300, 9.097100, -0.228500, 0.021800, 0.215000) ) + add_form_factor("j0", "V", 2, ( 0.408500, 23.852600, 0.609100, 8.245600, -0.167600, 0.041500, 0.149600) ) + add_form_factor("j0", "V", 3, ( 0.359800, 19.336399, 0.663200, 7.617200, -0.306400, 0.029600, 0.283500) ) + add_form_factor("j0", "V", 4, ( 0.310600, 16.816000, 0.719800, 7.048700, -0.052100, 0.302000, 0.022100) ) + add_form_factor("j0", "CR", 0, ( 0.113500, 45.199001, 0.348100, 19.493099, 0.547700, 7.354200, -0.009200) ) + add_form_factor("j0", "CR", 1, ( -0.097700, 0.047000, 0.454400, 26.005400, 0.557900, 7.489200, 0.083100) ) + add_form_factor("j0", "CR", 2, ( 1.202400, -0.005500, 0.415800, 20.547501, 0.603200, 6.956000, -1.221800) ) + add_form_factor("j0", "CR", 3, ( -0.309400, 0.027400, 0.368000, 17.035500, 0.655900, 6.523600, 0.285600) ) + add_form_factor("j0", "CR", 4, ( -0.232000, 0.043300, 0.310100, 14.951800, 0.718200, 6.172600, 0.204200) ) + add_form_factor("j0", "MN", 0, ( 0.243800, 24.962900, 0.147200, 15.672800, 0.618900, 6.540300, -0.010500) ) + add_form_factor("j0", "MN", 1, ( -0.013800, 0.421300, 0.423100, 24.667999, 0.590500, 6.654500, -0.001000) ) + add_form_factor("j0", "MN", 2, ( 0.422000, 17.684000, 0.594800, 6.005000, 0.004300, -0.609000, -0.021900) ) + add_form_factor("j0", "MN", 3, ( 0.419800, 14.282900, 0.605400, 5.468900, 0.924100, -0.008800, -0.949800) ) + add_form_factor("j0", "MN", 4, ( 0.376000, 12.566100, 0.660200, 5.132900, -0.037200, 0.563000, 0.001100) ) + add_form_factor("j0", "FE", 0, ( 0.070600, 35.008499, 0.358900, 15.358300, 0.581900, 5.560600, -0.011400) ) + add_form_factor("j0", "FE", 1, ( 0.125100, 34.963299, 0.362900, 15.514400, 0.522300, 5.591400, -0.010500) ) + add_form_factor("j0", "FE", 2, ( 0.026300, 34.959702, 0.366800, 15.943500, 0.618800, 5.593500, -0.011900) ) + add_form_factor("j0", "FE", 3, ( 0.397200, 13.244200, 0.629500, 4.903400, -0.031400, 0.349600, 0.004400) ) + add_form_factor("j0", "FE", 4, ( 0.378200, 11.380000, 0.655600, 4.592000, -0.034600, 0.483300, 0.000500) ) + add_form_factor("j0", "CO", 0, ( 0.413900, 16.161600, 0.601300, 4.780500, -0.151800, 0.021000, 0.134500) ) + add_form_factor("j0", "CO", 1, ( 0.099000, 33.125198, 0.364500, 15.176800, 0.547000, 5.008100, -0.010900) ) + add_form_factor("j0", "CO", 2, ( 0.433200, 14.355300, 0.585700, 4.607700, -0.038200, 0.133800, 0.017900) ) + add_form_factor("j0", "CO", 3, ( 0.390200, 12.507800, 0.632400, 4.457400, -0.150000, 0.034300, 0.127200) ) + add_form_factor("j0", "CO", 4, ( 0.351500, 10.778500, 0.677800, 4.234300, -0.038900, 0.240900, 0.009800) ) + add_form_factor("j0", "NI", 0, ( -0.017200, 35.739201, 0.317400, 14.268900, 0.713600, 4.566100, -0.014300) ) + add_form_factor("j0", "NI", 1, ( 0.070500, 35.856098, 0.398400, 13.804200, 0.542700, 4.396500, -0.011800) ) + add_form_factor("j0", "NI", 2, ( 0.016300, 35.882599, 0.391600, 13.223300, 0.605200, 4.338800, -0.013300) ) + add_form_factor("j0", "NI", 3, ( -0.013400, 35.867699, 0.267800, 12.332600, 0.761400, 4.236900, -0.016200) ) + add_form_factor("j0", "NI", 4, ( -0.009000, 35.861401, 0.277600, 11.790400, 0.747400, 4.201100, -0.016300) ) + add_form_factor("j0", "CU", 0, ( 0.090900, 34.983799, 0.408800, 11.443200, 0.512800, 3.824800, -0.012400) ) + add_form_factor("j0", "CU", 1, ( 0.074900, 34.965599, 0.414700, 11.764200, 0.523800, 3.849700, -0.012700) ) + add_form_factor("j0", "CU", 2, ( 0.023200, 34.968601, 0.402300, 11.564000, 0.588200, 3.842800, -0.013700) ) + add_form_factor("j0", "CU", 3, ( 0.003100, 34.907398, 0.358200, 10.913800, 0.653100, 3.827900, -0.014700) ) + add_form_factor("j0", "CU", 4, ( -0.013200, 30.681700, 0.280100, 11.162600, 0.749000, 3.817200, -0.016500) ) + add_form_factor("j0", "Y", 0, ( 0.591500, 67.608101, 1.512300, 17.900400, -1.113000, 14.135900, 0.008000) ) + add_form_factor("j0", "ZR", 0, ( 0.410600, 59.996101, 1.054300, 18.647600, -0.475100, 10.540000, 0.010600) ) + add_form_factor("j0", "ZR", 1, ( 0.453200, 59.594799, 0.783400, 21.435699, -0.245100, 9.036000, 0.009800) ) + add_form_factor("j0", "NB", 0, ( 0.394600, 49.229698, 1.319700, 14.821600, -0.726900, 9.615600, 0.012900) ) + add_form_factor("j0", "NB", 1, ( 0.457200, 49.918201, 1.027400, 15.725600, -0.496200, 9.157300, 0.011800) ) + add_form_factor("j0", "MO", 0, ( 0.180600, 49.056801, 1.230600, 14.785900, -0.426800, 6.986600, 0.017100) ) + add_form_factor("j0", "MO", 1, ( 0.350000, 48.035400, 1.030500, 15.060400, -0.392900, 7.479000, 0.013900) ) + add_form_factor("j0", "TC", 0, ( 0.129800, 49.661098, 1.165600, 14.130700, -0.313400, 5.512900, 0.019500) ) + add_form_factor("j0", "TC", 1, ( 0.267400, 48.956600, 0.956900, 15.141300, -0.238700, 5.457800, 0.016000) ) + add_form_factor("j0", "RU", 0, ( 0.106900, 49.423801, 1.191200, 12.741700, -0.317600, 4.912500, 0.021300) ) + add_form_factor("j0", "RU", 1, ( 0.441000, 33.308601, 1.477500, 9.553100, -0.936100, 6.722000, 0.017600) ) + add_form_factor("j0", "RH", 0, ( 0.097600, 49.882500, 1.160100, 11.830700, -0.278900, 4.126600, 0.023400) ) + add_form_factor("j0", "RH", 1, ( 0.334200, 29.756399, 1.220900, 9.438400, -0.575500, 5.332000, 0.021000) ) + add_form_factor("j0", "PD", 0, ( 0.200300, 29.363300, 1.144600, 9.599300, -0.368900, 4.042300, 0.025100) ) + add_form_factor("j0", "PD", 1, ( 0.503300, 24.503700, 1.998200, 6.908200, -1.524000, 5.513300, 0.021300) ) + add_form_factor("j0", "CE", 2, ( 0.295300, 17.684601, 0.292300, 6.732900, 0.431300, 5.382700, -0.019400) ) + add_form_factor("j0", "ND", 2, ( 0.164500, 25.045300, 0.252200, 11.978200, 0.601200, 4.946100, -0.018000) ) + add_form_factor("j0", "ND", 3, ( 0.054000, 25.029301, 0.310100, 12.102000, 0.657500, 4.722300, -0.021600) ) + add_form_factor("j0", "SM", 2, ( 0.090900, 25.203199, 0.303700, 11.856200, 0.625000, 4.236600, -0.020000) ) + add_form_factor("j0", "SM", 3, ( 0.028800, 25.206800, 0.297300, 11.831100, 0.695400, 4.211700, -0.021300) ) + add_form_factor("j0", "EU", 2, ( 0.075500, 25.296000, 0.300100, 11.599300, 0.643800, 4.025200, -0.019600) ) + add_form_factor("j0", "EU", 3, ( 0.020400, 25.307800, 0.301000, 11.474400, 0.700500, 3.942000, -0.022000) ) + add_form_factor("j0", "GD", 2, ( 0.063600, 25.382299, 0.303300, 11.212500, 0.652800, 3.787700, -0.019900) ) + add_form_factor("j0", "GD", 3, ( 0.018600, 25.386700, 0.289500, 11.142100, 0.713500, 3.752000, -0.021700) ) + add_form_factor("j0", "TB", 2, ( 0.054700, 25.508600, 0.317100, 10.591100, 0.649000, 3.517100, -0.021200) ) + add_form_factor("j0", "TB", 3, ( 0.017700, 25.509501, 0.292100, 10.576900, 0.713300, 3.512200, -0.023100) ) + add_form_factor("j0", "DY", 2, ( 0.130800, 18.315500, 0.311800, 7.664500, 0.579500, 3.146900, -0.022600) ) + add_form_factor("j0", "DY", 3, ( 0.115700, 15.073200, 0.327000, 6.799100, 0.582100, 3.020200, -0.024900) ) + add_form_factor("j0", "HO", 2, ( 0.099500, 18.176100, 0.330500, 7.855600, 0.592100, 2.979900, -0.023000) ) + add_form_factor("j0", "HO", 3, ( 0.056600, 18.317600, 0.336500, 7.688000, 0.631700, 2.942700, -0.024800) ) + add_form_factor("j0", "ER", 2, ( 0.112200, 18.122299, 0.346200, 6.910600, 0.564900, 2.761400, -0.023500) ) + add_form_factor("j0", "ER", 3, ( 0.058600, 17.980200, 0.354000, 7.096400, 0.612600, 2.748200, -0.025100) ) + add_form_factor("j0", "TM", 2, ( 0.098300, 18.323601, 0.338000, 6.917800, 0.587500, 2.662200, -0.024100) ) + add_form_factor("j0", "TM", 3, ( 0.058100, 15.092200, 0.278700, 7.801500, 0.685400, 2.793100, -0.022400) ) + add_form_factor("j0", "YB", 2, ( 0.085500, 18.512300, 0.294300, 7.373400, 0.641200, 2.677700, -0.021300) ) + add_form_factor("j0", "YB", 3, ( 0.041600, 16.094900, 0.284900, 7.834100, 0.696100, 2.672500, -0.022900) ) + add_form_factor("j0", "U", 3, ( 0.505800, 23.288200, 1.346400, 7.002800, -0.872400, 4.868300, 0.019200) ) + add_form_factor("j0", "U", 4, ( 0.329100, 23.547501, 1.083600, 8.454000, -0.434000, 4.119600, 0.021400) ) + add_form_factor("j0", "U", 5, ( 0.365000, 19.803801, 3.219900, 6.281800, -2.607700, 5.301000, 0.023300) ) + add_form_factor("j0", "NP", 3, ( 0.515700, 20.865400, 2.278400, 5.893000, -1.816300, 4.845700, 0.021100) ) + add_form_factor("j0", "NP", 4, ( 0.420600, 19.804600, 2.800400, 5.978300, -2.243600, 4.984800, 0.022800) ) + add_form_factor("j0", "NP", 5, ( 0.369200, 18.190001, 3.151000, 5.850000, -2.544600, 4.916400, 0.024800) ) + add_form_factor("j0", "NP", 6, ( 0.292900, 17.561100, 3.486600, 5.784700, -2.806600, 4.870700, 0.026700) ) + add_form_factor("j0", "PU", 3, ( 0.384000, 16.679300, 3.104900, 5.421000, -2.514800, 4.551200, 0.026300) ) + add_form_factor("j0", "PU", 4, ( 0.493400, 16.835501, 1.639400, 5.638400, -1.158100, 4.139900, 0.024800) ) + add_form_factor("j0", "PU", 5, ( 0.388800, 16.559200, 2.036200, 5.656700, -1.451500, 4.255200, 0.026700) ) + add_form_factor("j0", "PU", 6, ( 0.317200, 16.050699, 3.465400, 5.350700, -2.810200, 4.513300, 0.028100) ) + add_form_factor("j0", "AM", 2, ( 0.474300, 21.776100, 1.580000, 5.690200, -1.077900, 4.145100, 0.021800) ) + add_form_factor("j0", "AM", 3, ( 0.423900, 19.573900, 1.457300, 5.872200, -0.905200, 3.968200, 0.023800) ) + add_form_factor("j0", "AM", 4, ( 0.373700, 17.862499, 1.352100, 6.042600, -0.751400, 3.719900, 0.025800) ) + add_form_factor("j0", "AM", 5, ( 0.295600, 17.372499, 1.452500, 6.073400, -0.775500, 3.661900, 0.027700) ) + add_form_factor("j0", "AM", 6, ( 0.230200, 16.953300, 1.486400, 6.115900, -0.745700, 3.542600, 0.029400) ) + add_form_factor("j0", "AM", 7, ( 0.360100, 12.729900, 1.964000, 5.120300, -1.356000, 3.714200, 0.031600) ) + add_form_factor("j0", "PR", 3, ( 0.050400, 24.998900, 0.257200, 12.037700, 0.714200, 5.003900, -0.021900) ) + add_form_factor("j0", "O", 1, ( 0.115285, 85.197300, 0.556229, 25.252200, 0.332476, 6.362070, -0.00460676) ) + add_form_factor("J", "CE", 2, ( 0.031972, 8.926222, 0.265792, 7.678510, 0.682151, 2.329783, 0.020578) ) + add_form_factor("J", "CE", 3, ( 0.051183, 6.115375, 0.277738, 7.952485, 0.654079, 2.287000, 0.016355) ) + add_form_factor("J", "PR", 3, ( 0.023288, 0.582954, 0.349391, 5.601756, 0.615363, 1.932779, 0.011454) ) + add_form_factor("J", "ND", 2, ( 0.089354, 2.282004, 0.206157, 1.708607, 0.669916, 2.297662, 0.048390) ) + add_form_factor("J", "ND", 3, ( 0.073287, 4.412361, 0.371485, 4.019648, 0.539459, 1.557985, 0.017335) ) + add_form_factor("J", "GD", 3, ( 0.060537, 10.775218, 0.271475, 13.097898, 0.665241, 3.162837, 0.001566) ) + add_form_factor("J", "TB", 2, ( 0.049801, 18.734161, 0.277437, 10.084129, 0.661194, 2.745624, 0.010774) ) + add_form_factor("J", "TB", 3, ( 0.049792, 15.112189, 0.270644, 9.158312, 0.679388, 2.880260, -0.000131) ) + add_form_factor("J", "DY", 2, ( 0.175586, 5.938148, 0.228867, 11.464046, 0.583298, 2.167554, 0.011186) ) + add_form_factor("J", "DY", 3, ( 0.146536, 12.639305, 0.375822, 5.511785, 0.515731, 2.090789, 0.093576) ) + add_form_factor("J", "HO", 2, ( 0.023234, 0.703240, 0.270745, 9.993475, 0.677581, 2.521403, 0.027101) ) + add_form_factor("J", "HO", 2, ( 0.023234, 0.703240, 0.270745, 9.993475, 0.677581, 2.521403, 0.027101) ) + add_form_factor("J", "HO", 3, ( 0.043204, 0.910121, 0.279392, 8.683387, 0.668537, 2.417518, 0.008207) ) + add_form_factor("J", "ER", 2, ( 0.037734, 6.081446, 0.256447, 9.598846, 0.679204, 2.139296, 0.025543) ) + add_form_factor("J", "ER", 3, ( 0.038871, 5.311772, 0.259781, 8.173226, 0.678414, 2.082836, 0.022169) ) + add_form_factor("J", "TM", 2, ( 0.037670, 4.455198, 0.254184, 9.151058, 0.677308, 2.021746, 0.029718) ) + add_form_factor("J", "TM", 3, ( 0.028279, 2.291633, 0.265583, 7.776700, 0.675720, 2.018924, 0.029883) ) + add_form_factor("J", "YB", 3, ( 0.092380, 2.046342, 0.258408, 7.471918, 0.609716, 1.913869, 0.038824) ) + add_form_factor("J", "O", 1, ( 0.115285, 85.197300, 0.556229, 25.252200, 0.332476, 6.362070,-0.00460676) ) + + # !---- Coefficients ----! + add_form_factor("j2", "SC", 0,(10.8172,54.327, 4.7353,14.847, 0.6071, 4.218, 0.0011)) + add_form_factor("j2", "SC", 1,( 8.5021,34.285, 3.2116,10.994, 0.4244, 3.605, 0.0009)) + add_form_factor("j2", "SC", 2,( 4.3683,28.654, 3.7231,10.823, 0.6074, 3.668, 0.0014)) + add_form_factor("j2", "TI", 0,( 4.3583,36.056, 3.8230,11.133, 0.6855, 3.469, 0.0020)) + add_form_factor("j2", "TI", 1,( 6.1567,27.275, 2.6833, 8.983, 0.4070, 3.052, 0.0011)) + add_form_factor("j2", "TI", 2,( 4.3107,18.348, 2.0960, 6.797, 0.2984, 2.548, 0.0007)) + add_form_factor("j2", "TI", 3,( 3.3717,14.444, 1.8258, 5.713, 0.2470, 2.265, 0.0005)) + add_form_factor("j2", "V", 0,( 3.8099,21.347, 2.3295, 7.409, 0.4333, 2.632, 0.0015)) + add_form_factor("j2", "V", 1,( 4.7474,23.323, 2.3609, 7.808, 0.4105, 2.706, 0.0014)) + add_form_factor("j2", "V", 2,( 3.4386,16.530, 1.9638, 6.141, 0.2997, 2.267, 0.0009)) + add_form_factor("j2", "V", 3,( 2.3005,14.682, 2.0364, 6.130, 0.4099, 2.382, 0.0014)) + add_form_factor("j2", "V", 4,( 1.8377,12.267, 1.8247, 5.458, 0.3979, 2.248, 0.0012)) + add_form_factor("j2", "CR", 0,( 3.4085,20.127, 2.1006, 6.802, 0.4266, 2.394, 0.0019)) + add_form_factor("j2", "CR", 1,( 3.7768,20.346, 2.1028, 6.893, 0.4010, 2.411, 0.0017)) + add_form_factor("j2", "CR", 2,( 2.6422,16.060, 1.9198, 6.253, 0.4446, 2.372, 0.0020)) + add_form_factor("j2", "CR", 3,( 1.6262,15.066, 2.0618, 6.284, 0.5281, 2.368, 0.0023)) + add_form_factor("j2", "CR", 4,( 1.0293,13.950, 1.9933, 6.059, 0.5974, 2.346, 0.0027)) + add_form_factor("j2", "MN", 0,( 2.6681,16.060, 1.7561, 5.640, 0.3675, 2.049, 0.0017)) + add_form_factor("j2", "MN", 1,( 3.2953,18.695, 1.8792, 6.240, 0.3927, 2.201, 0.0022)) + add_form_factor("j2", "MN", 2,( 2.0515,15.556, 1.8841, 6.063, 0.4787, 2.232, 0.0027)) + add_form_factor("j2", "MN", 3,( 1.2427,14.997, 1.9567, 6.118, 0.5732, 2.258, 0.0031)) + add_form_factor("j2", "MN", 4,( 0.7879,13.886, 1.8717, 5.743, 0.5981, 2.182, 0.0034)) + add_form_factor("j2", "FE", 0,( 1.9405,18.473, 1.9566, 6.323, 0.5166, 2.161, 0.0036)) + add_form_factor("j2", "FE", 1,( 2.6290,18.660, 1.8704, 6.331, 0.4690, 2.163, 0.0031)) + add_form_factor("j2", "FE", 2,( 1.6490,16.559, 1.9064, 6.133, 0.5206, 2.137, 0.0035)) + add_form_factor("j2", "FE", 3,( 1.3602,11.998, 1.5188, 5.003, 0.4705, 1.991, 0.0038)) + add_form_factor("j2", "FE", 4,( 1.5582, 8.275, 1.1863, 3.279, 0.1366, 1.107,-0.0022)) + add_form_factor("j2", "CO", 0,( 1.9678,14.170, 1.4911, 4.948, 0.3844, 1.797, 0.0027)) + add_form_factor("j2", "CO", 1,( 2.4097,16.161, 1.5780, 5.460, 0.4095, 1.914, 0.0031)) + add_form_factor("j2", "CO", 2,( 1.9049,11.644, 1.3159, 4.357, 0.3146, 1.645, 0.0017)) + add_form_factor("j2", "CO", 3,( 1.7058, 8.859, 1.1409, 3.309, 0.1474, 1.090,-0.0025)) + add_form_factor("j2", "CO", 4,( 1.3110, 8.025, 1.1551, 3.179, 0.1608, 1.130,-0.0011)) + add_form_factor("j2", "NI", 0,( 1.0302,12.252, 1.4669, 4.745, 0.4521, 1.744, 0.0036)) + add_form_factor("j2", "NI", 1,( 2.1040,14.866, 1.4302, 5.071, 0.4031, 1.778, 0.0034)) + add_form_factor("j2", "NI", 2,( 1.7080,11.016, 1.2147, 4.103, 0.3150, 1.533, 0.0018)) + add_form_factor("j2", "NI", 3,( 1.1612, 7.700, 1.0027, 3.263, 0.2719, 1.378, 0.0025)) + add_form_factor("j2", "NI", 4,( 1.1612, 7.700, 1.0027, 3.263, 0.2719, 1.378, 0.0025)) + add_form_factor("j2", "CU", 0,( 1.9182,14.490, 1.3329, 4.730, 0.3842, 1.639, 0.0035)) + add_form_factor("j2", "CU", 1,( 1.8814,13.433, 1.2809, 4.545, 0.3646, 1.602, 0.0033)) + add_form_factor("j2", "CU", 2,( 1.5189,10.478, 1.1512, 3.813, 0.2918, 1.398, 0.0017)) + add_form_factor("j2", "CU", 3,( 1.2797, 8.450, 1.0315, 3.280, 0.2401, 1.250, 0.0015)) + add_form_factor("j2", "CU", 4,( 0.9568, 7.448, 0.9099, 3.396, 0.3729, 1.494, 0.0049)) + add_form_factor("j2", "Y", 0,(14.4084,44.658, 5.1045,14.904,-0.0535, 3.319, 0.0028)) + add_form_factor("j2", "ZR", 0,(10.1378,35.337, 4.7734,12.545,-0.0489, 2.672, 0.0036)) + add_form_factor("j2", "ZR", 1,(11.8722,34.920, 4.0502,12.127,-0.0632, 2.828, 0.0034)) + add_form_factor("j2", "NB", 0,( 7.4796,33.179, 5.0884,11.571,-0.0281, 1.564, 0.0047)) + add_form_factor("j2", "NB", 1,( 8.7735,33.285, 4.6556,11.605,-0.0268, 1.539, 0.0044)) + add_form_factor("j2", "MO", 0,( 5.1180,23.422, 4.1809, 9.208,-0.0505, 1.743, 0.0053)) + add_form_factor("j2", "MO", 1,( 7.2367,28.128, 4.0705, 9.923,-0.0317, 1.455, 0.0049)) + add_form_factor("j2", "TC", 0,( 4.2441,21.397, 3.9439, 8.375,-0.0371, 1.187, 0.0066)) + add_form_factor("j2", "TC", 1,( 6.4056,24.824, 3.5400, 8.611,-0.0366, 1.485, 0.0044)) + add_form_factor("j2", "RU", 0,( 3.7445,18.613, 3.4749, 7.420,-0.0363, 1.007, 0.0073)) + add_form_factor("j2", "RU", 1,( 5.2826,23.683, 3.5813, 8.152,-0.0257, 0.426, 0.0131)) + add_form_factor("j2", "RH", 0,( 3.3651,17.344, 3.2121, 6.804,-0.0350, 0.503, 0.0146)) + add_form_factor("j2", "RH", 1,( 4.0260,18.950, 3.1663, 7.000,-0.0296, 0.486, 0.0127)) + add_form_factor("j2", "PD", 0,( 3.3105,14.726, 2.6332, 5.862,-0.0437, 1.130, 0.0053)) + add_form_factor("j2", "PD", 1,( 4.2749,17.900, 2.7021, 6.354,-0.0258, 0.700, 0.0071)) + add_form_factor("j2", "CE", 2,( 0.9809,18.063, 1.8413, 7.769, 0.9905, 2.845, 0.0120)) + add_form_factor("j2", "ND", 2,( 1.4530,18.340, 1.6196, 7.285, 0.8752, 2.622, 0.0126)) + add_form_factor("j2", "ND", 3,( 0.6751,18.342, 1.6272, 7.260, 0.9644, 2.602, 0.0150)) + add_form_factor("j2", "SM", 2,( 1.0360,18.425, 1.4769, 7.032, 0.8810, 2.437, 0.0152)) + add_form_factor("j2", "SM", 3,( 0.4707,18.430, 1.4261, 7.034, 0.9574, 2.439, 0.0182)) + add_form_factor("j2", "EU", 2,( 0.8970,18.443, 1.3769, 7.005, 0.9060, 2.421, 0.0190)) + add_form_factor("j2", "EU", 3,( 0.3985,18.451, 1.3307, 6.956, 0.9603, 2.378, 0.0197)) + add_form_factor("j2", "GD", 2,( 0.7756,18.469, 1.3124, 6.899, 0.8956, 2.338, 0.0199)) + add_form_factor("j2", "GD", 3,( 0.3347,18.476, 1.2465, 6.877, 0.9537, 2.318, 0.0217)) + add_form_factor("j2", "TB", 2,( 0.6688,18.491, 1.2487, 6.822, 0.8888, 2.275, 0.0215)) + add_form_factor("j2", "TB", 3,( 0.2892,18.497, 1.1678, 6.797, 0.9437, 2.257, 0.0232)) + add_form_factor("j2", "DY", 2,( 0.5917,18.511, 1.1828, 6.747, 0.8801, 2.214, 0.0229)) + add_form_factor("j2", "DY", 3,( 0.2523,18.517, 1.0914, 6.736, 0.9345, 2.208, 0.0250)) + add_form_factor("j2", "HO", 2,( 0.5094,18.515, 1.1234, 6.706, 0.8727, 2.159, 0.0242)) + add_form_factor("j2", "HO", 3,( 0.2188,18.516, 1.0240, 6.707, 0.9251, 2.161, 0.0268)) + add_form_factor("j2", "ER", 2,( 0.4693,18.528, 1.0545, 6.649, 0.8679, 2.120, 0.0261)) + add_form_factor("j2", "ER", 3,( 0.1710,18.534, 0.9879, 6.625, 0.9044, 2.100, 0.0278)) + add_form_factor("j2", "TM", 2,( 0.4198,18.542, 0.9959, 6.600, 0.8593, 2.082, 0.0284)) + add_form_factor("j2", "TM", 3,( 0.1760,18.542, 0.9105, 6.579, 0.8970, 2.062, 0.0294)) + add_form_factor("j2", "YB", 2,( 0.3852,18.550, 0.9415, 6.551, 0.8492, 2.043, 0.0301)) + add_form_factor("j2", "YB", 3,( 0.1570,18.555, 0.8484, 6.540, 0.8880, 2.037, 0.0318)) + add_form_factor("j2", "U", 3,( 4.1582,16.534, 2.4675, 5.952,-0.0252, 0.765, 0.0057)) + add_form_factor("j2", "U", 4,( 3.7449,13.894, 2.6453, 4.863,-0.5218, 3.192, 0.0009)) + add_form_factor("j2", "U", 5,( 3.0724,12.546, 2.3076, 5.231,-0.0644, 1.474, 0.0035)) + add_form_factor("j2", "NP", 3,( 3.7170,15.133, 2.3216, 5.503,-0.0275, 0.800, 0.0052)) + add_form_factor("j2", "NP", 4,( 2.9203,14.646, 2.5979, 5.559,-0.0301, 0.367, 0.0141)) + add_form_factor("j2", "NP", 5,( 2.3308,13.654, 2.7219, 5.494,-0.1357, 0.049, 0.1224)) + add_form_factor("j2", "NP", 6,( 1.8245,13.180, 2.8508, 5.407,-0.1579, 0.044, 0.1438)) + add_form_factor("j2", "PU", 3,( 2.0885,12.871, 2.5961, 5.190,-0.1465, 0.039, 0.1343)) + add_form_factor("j2", "PU", 4,( 2.7244,12.926, 2.3387, 5.163,-0.1300, 0.046, 0.1177)) + add_form_factor("j2", "PU", 5,( 2.1409,12.832, 2.5664, 5.152,-0.1338, 0.046, 0.1210)) + add_form_factor("j2", "PU", 6,( 1.7262,12.324, 2.6652, 5.066,-0.1695, 0.041, 0.1550)) + add_form_factor("j2", "AM", 2,( 3.5237,15.955, 2.2855, 5.195,-0.0142, 0.585, 0.0033)) + add_form_factor("j2", "AM", 3,( 2.8622,14.733, 2.4099, 5.144,-0.1326, 0.031, 0.1233)) + add_form_factor("j2", "AM", 4,( 2.4141,12.948, 2.3687, 4.945,-0.2490, 0.022, 0.2371)) + add_form_factor("j2", "AM", 5,( 2.0109,12.053, 2.4155, 4.836,-0.2264, 0.027, 0.2128)) + add_form_factor("j2", "AM", 6,( 1.6778,11.337, 2.4531, 4.725,-0.2043, 0.034, 0.1892)) + add_form_factor("j2", "AM", 7,( 1.8845, 9.161, 2.0746, 4.042,-0.1318, 1.723, 0.0020)) + + # !---- Coefficients ----! + add_form_factor("j4", "SC", 0,( 1.3420,10.200, 0.3837, 3.079, 0.0468, 0.118,-0.0328)) + add_form_factor("j4", "SC", 1,( 7.1167,15.487,-6.6671,18.269, 0.4900, 2.992, 0.0047)) + add_form_factor("j4", "SC", 2,(-1.6684,15.648, 1.7742, 9.062, 0.4075, 2.412, 0.0042)) + add_form_factor("j4", "TI", 0,(-2.1515,11.271, 2.5149, 8.859, 0.3555, 2.149, 0.0045)) + add_form_factor("j4", "TI", 1,(-1.0383,16.190, 1.4699, 8.924, 0.3631, 2.283, 0.0044)) + add_form_factor("j4", "TI", 2,(-1.3242,15.310, 1.2042, 7.899, 0.3976, 2.156, 0.0051)) + add_form_factor("j4", "TI", 3,(-1.1117,14.635, 0.7689, 6.927, 0.4385, 2.089, 0.0060)) + add_form_factor("j4", "V", 0,(-0.9633,15.273, 0.9274, 7.732, 0.3891, 2.053, 0.0063)) + add_form_factor("j4", "V", 1,(-0.9606,15.545, 1.1278, 8.118, 0.3653, 2.097, 0.0056)) + add_form_factor("j4", "V", 2,(-1.1729,14.973, 0.9092, 7.613, 0.4105, 2.039, 0.0067)) + add_form_factor("j4", "V", 3,(-0.9417,14.205, 0.5284, 6.607, 0.4411, 1.967, 0.0076)) + add_form_factor("j4", "V", 4,(-0.7654,13.097, 0.3071, 5.674, 0.4476, 1.871, 0.0081)) + add_form_factor("j4", "CR", 0,(-0.6670,19.613, 0.5342, 6.478, 0.3641, 1.905, 0.0073)) + add_form_factor("j4", "CR", 1,(-0.8309,18.043, 0.7252, 7.531, 0.3828, 2.003, 0.0073)) + add_form_factor("j4", "CR", 2,(-0.8930,15.664, 0.5590, 7.033, 0.4093, 1.924, 0.0081)) + add_form_factor("j4", "CR", 3,(-0.7327,14.073, 0.3268, 5.674, 0.4114, 1.810, 0.0085)) + add_form_factor("j4", "CR", 4,(-0.6748,12.946, 0.1805, 6.753, 0.4526, 1.800, 0.0098)) + add_form_factor("j4", "MN", 0,(-0.5452,15.471, 0.4406, 4.902, 0.2884, 1.543, 0.0059)) + add_form_factor("j4", "MN", 1,(-0.7947,17.867, 0.6078, 7.704, 0.3798, 1.905, 0.0087)) + add_form_factor("j4", "MN", 2,(-0.7416,15.255, 0.3831, 6.469, 0.3935, 1.800, 0.0093)) + add_form_factor("j4", "MN", 3,(-0.6603,13.607, 0.2322, 6.218, 0.4104, 1.740, 0.0101)) + add_form_factor("j4", "MN", 4,(-0.5127,13.461, 0.0313, 7.763, 0.4282, 1.701, 0.0113)) + add_form_factor("j4", "FE", 0,(-0.5029,19.677, 0.2999, 3.776, 0.2576, 1.424, 0.0071)) + add_form_factor("j4", "FE", 1,(-0.5109,19.250, 0.3896, 4.891, 0.2810, 1.526, 0.0069)) + add_form_factor("j4", "FE", 2,(-0.5401,17.227, 0.2865, 3.742, 0.2658, 1.424, 0.0076)) + add_form_factor("j4", "FE", 3,(-0.5507,11.493, 0.2153, 4.906, 0.3468, 1.523, 0.0095)) + add_form_factor("j4", "FE", 4,(-0.5352, 9.507, 0.1783, 5.175, 0.3584, 1.469, 0.0097)) + add_form_factor("j4", "CO", 0,(-0.4221,14.195, 0.2900, 3.979, 0.2469, 1.286, 0.0063)) + add_form_factor("j4", "CO", 1,(-0.4115,14.561, 0.3580, 4.717, 0.2644, 1.418, 0.0074)) + add_form_factor("j4", "CO", 2,(-0.4759,14.046, 0.2747, 3.731, 0.2458, 1.250, 0.0057)) + add_form_factor("j4", "CO", 3,(-0.4466,13.391, 0.1419, 3.011, 0.2773, 1.335, 0.0093)) + add_form_factor("j4", "CO", 4,(-0.4091,13.194,-0.0194, 3.417, 0.3534, 1.421, 0.0112)) + add_form_factor("j4", "NI", 0,(-0.4428,14.485, 0.0870, 3.234, 0.2932, 1.331, 0.0096)) + add_form_factor("j4", "NI", 1,(-0.3836,13.425, 0.3116, 4.462, 0.2471, 1.309, 0.0079)) + add_form_factor("j4", "NI", 2,(-0.3803,10.403, 0.2838, 3.378, 0.2108, 1.104, 0.0050)) + add_form_factor("j4", "NI", 3,(-0.3715, 8.952, 0.1211, 2.940, 0.2526, 1.105, 0.0061)) + add_form_factor("j4", "NI", 4,(-0.3509, 8.157, 0.2220, 2.106, 0.1567, 0.925, 0.0065)) + add_form_factor("j4", "CU", 0,(-0.3204,15.132, 0.2335, 4.021, 0.2312, 1.196, 0.0068)) + add_form_factor("j4", "CU", 1,(-0.3572,15.125, 0.2336, 3.966, 0.2315, 1.197, 0.0070)) + add_form_factor("j4", "CU", 2,(-0.3914,14.740, 0.1275, 3.384, 0.2548, 1.255, 0.0103)) + add_form_factor("j4", "CU", 3,(-0.3671,14.082,-0.0078, 3.315, 0.3154, 1.377, 0.0132)) + add_form_factor("j4", "CU", 4,(-0.2915,14.124,-0.1065, 4.201, 0.3247, 1.352, 0.0148)) + add_form_factor("j4", "Y", 0,(-8.0767,32.201, 7.9197,25.156, 1.4067, 6.827,-0.0001)) + add_form_factor("j4", "ZR", 0,(-5.2697,32.868, 4.1930,24.183, 1.5202, 6.048,-0.0002)) + add_form_factor("j4", "ZR", 1,(-5.6384,33.607, 4.6729,22.338, 1.3258, 5.924,-0.0003)) + add_form_factor("j4", "NB", 0,(-3.1377,25.595, 2.3411,16.569, 1.2304, 4.990,-0.0005)) + add_form_factor("j4", "NB", 1,(-3.3598,25.820, 2.8297,16.427, 1.1203, 4.982,-0.0005)) + add_form_factor("j4", "MO", 0,(-2.8860,20.572, 1.8130,14.628, 1.1899, 4.264,-0.0008)) + add_form_factor("j4", "MO", 1,(-3.2618,25.486, 2.3596,16.462, 1.1164, 4.491,-0.0007)) + add_form_factor("j4", "TC", 0,(-2.7975,20.159, 1.6520,16.261, 1.1726, 3.943,-0.0008)) + add_form_factor("j4", "TC", 1,(-2.0470,19.683, 1.6306,11.592, 0.8698, 3.769,-0.0010)) + add_form_factor("j4", "RU", 0,(-1.5042,17.949, 0.6027, 9.961, 0.9700, 3.393,-0.0010)) + add_form_factor("j4", "RU", 1,(-1.6278,18.506, 1.1828,10.189, 0.8138, 3.418,-0.0009)) + add_form_factor("j4", "RH", 0,(-1.3492,17.577, 0.4527,10.507, 0.9285, 3.155,-0.0009)) + add_form_factor("j4", "RH", 1,(-1.4673,17.957, 0.7381, 9.944, 0.8485, 3.126,-0.0012)) + add_form_factor("j4", "PD", 0,(-1.1955,17.628, 0.3183,11.309, 0.8696, 2.909,-0.0006)) + add_form_factor("j4", "PD", 1,(-1.4098,17.765, 0.7927, 9.999, 0.7710, 2.930,-0.0006)) + add_form_factor("j4", "CE", 2,(-0.6468,10.533, 0.4052, 5.624, 0.3412, 1.535, 0.0080)) + add_form_factor("j4", "ND", 2,(-0.5416,12.204, 0.3571, 6.169, 0.3154, 1.485, 0.0098)) + add_form_factor("j4", "ND", 3,(-0.4053,14.014, 0.0329, 7.005, 0.3759, 1.707, 0.0209)) + add_form_factor("j4", "SM", 2,(-0.4150,14.057, 0.1368, 7.032, 0.3272, 1.582, 0.0192)) + add_form_factor("j4", "SM", 3,(-0.4288,10.052, 0.1782, 5.019, 0.2833, 1.236, 0.0088)) + add_form_factor("j4", "EU", 2,(-0.4145,10.193, 0.2447, 5.164, 0.2661, 1.205, 0.0065)) + add_form_factor("j4", "EU", 3,(-0.4095,10.211, 0.1485, 5.175, 0.2720, 1.237, 0.0131)) + add_form_factor("j4", "GD", 2,(-0.3824,10.344, 0.1955, 5.306, 0.2622, 1.203, 0.0097)) + add_form_factor("j4", "GD", 3,(-0.3621,10.353, 0.1016, 5.310, 0.2649, 1.219, 0.0147)) + add_form_factor("j4", "TB", 2,(-0.3443,10.469, 0.1481, 5.416, 0.2575, 1.182, 0.0104)) + add_form_factor("j4", "TB", 3,(-0.3228,10.476, 0.0638, 5.419, 0.2566, 1.196, 0.0159)) + add_form_factor("j4", "DY", 2,(-0.3206,12.071, 0.0904, 8.026, 0.2616, 1.230, 0.0143)) + add_form_factor("j4", "DY", 3,(-0.2829, 9.525, 0.0565, 4.429, 0.2437, 1.066, 0.0092)) + add_form_factor("j4", "HO", 2,(-0.2976, 9.719, 0.1224, 4.635, 0.2279, 1.005, 0.0063)) + add_form_factor("j4", "HO", 3,(-0.2717, 9.731, 0.0474, 4.638, 0.2292, 1.047, 0.0124)) + add_form_factor("j4", "ER", 2,(-0.2975, 9.829, 0.1189, 4.741, 0.2116, 1.004, 0.0117)) + add_form_factor("j4", "ER", 3,(-0.2568, 9.834, 0.0356, 4.741, 0.2172, 1.028, 0.0148)) + add_form_factor("j4", "TM", 2,(-0.2677, 9.888, 0.0925, 4.784, 0.2056, 0.990, 0.0124)) + add_form_factor("j4", "TM", 3,(-0.2292, 9.895, 0.0124, 4.785, 0.2108, 1.007, 0.0151)) + add_form_factor("j4", "YB", 2,(-0.2393, 9.947, 0.0663, 4.823, 0.2009, 0.965, 0.0122)) + add_form_factor("j4", "YB", 3,(-0.2121, 8.197, 0.0325, 3.153, 0.1975, 0.884, 0.0093)) + add_form_factor("j4", "U", 3,(-0.9859,16.601, 0.6116, 6.515, 0.6020, 2.597,-0.0010)) + add_form_factor("j4", "U", 4,(-1.0540,16.605, 0.4339, 6.512, 0.6746, 2.599,-0.0011)) + add_form_factor("j4", "U", 5,(-0.9588,16.485, 0.1576, 6.440, 0.7785, 2.640,-0.0010)) + add_form_factor("j4", "NP", 3,(-0.9029,16.586, 0.4006, 6.470, 0.6545, 2.563,-0.0004)) + add_form_factor("j4", "NP", 4,(-0.9887,12.441, 0.5918, 5.294, 0.5306, 2.263,-0.0021)) + add_form_factor("j4", "NP", 5,(-0.8146,16.581,-0.0055, 6.475, 0.7956, 2.562,-0.0004)) + add_form_factor("j4", "NP", 6,(-0.6738,16.553,-0.2297, 6.505, 0.8513, 2.553,-0.0003)) + add_form_factor("j4", "PU", 3,(-0.7014,16.369,-0.1162, 6.697, 0.7778, 2.450, 0.0000)) + add_form_factor("j4", "PU", 4,(-0.9160,12.203, 0.4891, 5.127, 0.5290, 2.149,-0.0022)) + add_form_factor("j4", "PU", 5,(-0.7035,16.360,-0.0979, 6.706, 0.7726, 2.447, 0.0000)) + add_form_factor("j4", "PU", 6,(-0.5560,16.322,-0.3046, 6.768, 0.8146, 2.426, 0.0001)) + add_form_factor("j4", "AM", 2,(-0.7433,16.416, 0.3481, 6.788, 0.6014, 2.346, 0.0000)) + add_form_factor("j4", "AM", 3,(-0.8092,12.854, 0.4161, 5.459, 0.5476, 2.172,-0.0011)) + add_form_factor("j4", "AM", 4,(-0.8548,12.226, 0.3037, 5.909, 0.6173, 2.188,-0.0016)) + add_form_factor("j4", "AM", 5,(-0.6538,15.462,-0.0948, 5.997, 0.7295, 2.297, 0.0000)) + add_form_factor("j4", "AM", 6,(-0.5390,15.449,-0.2689, 6.017, 0.7711, 2.297, 0.0002)) + add_form_factor("j4", "AM", 7,(-0.4688,12.019,-0.2692, 7.042, 0.7297, 2.164,-0.0011)) + + # !---- Coefficients ----! + add_form_factor("j6", "CE", 2,(-0.1212, 7.994,-0.0639, 4.024, 0.1519, 1.096, 0.0078)) + add_form_factor("j6", "ND", 2,(-0.1600, 8.009, 0.0272, 4.028, 0.1104, 1.068, 0.0139)) + add_form_factor("j6", "ND", 3,(-0.0416, 8.014,-0.1261, 4.040, 0.1400, 1.087, 0.0102)) + add_form_factor("j6", "SM", 2,(-0.1428, 6.041, 0.0723, 2.033, 0.0550, 0.513, 0.0081)) + add_form_factor("j6", "SM", 3,(-0.0944, 6.030,-0.0498, 2.074, 0.1372, 0.645,-0.0132)) + add_form_factor("j6", "EU", 2,(-0.1252, 6.049, 0.0507, 2.085, 0.0572, 0.646, 0.0132)) + add_form_factor("j6", "EU", 3,(-0.0817, 6.039,-0.0596, 2.120, 0.1243, 0.764,-0.0001)) + add_form_factor("j6", "GD", 2,(-0.1351, 5.030, 0.0828, 2.025, 0.0315, 0.503, 0.0187)) + add_form_factor("j6", "GD", 3,(-0.0662, 6.031,-0.0850, 2.154, 0.1323, 0.891, 0.0048)) + add_form_factor("j6", "TB", 2,(-0.0758, 6.032,-0.0540, 2.158, 0.1199, 0.890, 0.0051)) + add_form_factor("j6", "TB", 3,(-0.0559, 6.031,-0.1020, 2.237, 0.1264, 1.107, 0.0167)) + add_form_factor("j6", "DY", 2,(-0.0568, 6.032,-0.1003, 2.240, 0.1401, 1.106, 0.0109)) + add_form_factor("j6", "DY", 3,(-0.0423, 6.038,-0.1248, 2.244, 0.1359, 1.200, 0.0188)) + add_form_factor("j6", "HO", 2,(-0.0725, 6.045,-0.0318, 2.243, 0.0738, 1.202, 0.0252)) + add_form_factor("j6", "HO", 3,(-0.0289, 6.050,-0.1545, 2.230, 0.1550, 1.260, 0.0177)) + add_form_factor("j6", "ER", 2,(-0.0648, 6.056,-0.0515, 2.230, 0.0825, 1.264, 0.0250)) + add_form_factor("j6", "ER", 3,(-0.0110, 6.061,-0.1954, 2.224, 0.1818, 1.296, 0.0149)) + add_form_factor("j6", "TM", 2,(-0.0842, 4.070, 0.0807, 0.849,-0.2087, 0.039, 0.2095)) + add_form_factor("j6", "TM", 3,(-0.0727, 4.073, 0.0243, 0.689, 3.9459, 0.002,-3.9076)) + add_form_factor("j6", "YB", 2,(-0.0739, 5.031, 0.0140, 2.030, 0.0351, 0.508, 0.0174)) + add_form_factor("j6", "YB", 3,(-0.0345, 5.007,-0.0677, 2.020, 0.0985, 0.549,-0.0076)) + add_form_factor("j6", "U", 3,(-0.3797, 9.953, 0.0459, 5.038, 0.2748, 1.607, 0.0016)) + add_form_factor("j6", "U", 4,(-0.1793,11.896,-0.2269, 5.428, 0.3291, 1.701, 0.0030)) + add_form_factor("j6", "U", 5,(-0.0399,11.891,-0.3458, 5.580, 0.3340, 1.645, 0.0029)) + add_form_factor("j6", "NP", 3,(-0.2427,11.844,-0.1129, 5.377, 0.2848, 1.568, 0.0022)) + add_form_factor("j6", "NP", 4,(-0.2436, 9.599,-0.1317, 4.101, 0.3029, 1.545, 0.0019)) + add_form_factor("j6", "NP", 5,(-0.1157, 9.565,-0.2654, 4.260, 0.3298, 1.549, 0.0025)) + add_form_factor("j6", "NP", 6,(-0.0128, 9.569,-0.3611, 4.304, 0.3419, 1.541, 0.0032)) + add_form_factor("j6", "PU", 3,(-0.0364, 9.572,-0.3181, 4.342, 0.3210, 1.523, 0.0041)) + add_form_factor("j6", "PU", 4,(-0.2394, 7.837,-0.0785, 4.024, 0.2643, 1.378, 0.0012)) + add_form_factor("j6", "PU", 5,(-0.1090, 7.819,-0.2243, 4.100, 0.2947, 1.404, 0.0015)) + add_form_factor("j6", "PU", 6,(-0.0001, 7.820,-0.3354, 4.144, 0.3097, 1.403, 0.0020)) + add_form_factor("j6", "AM", 2,(-0.3176, 7.864, 0.0771, 4.161, 0.2194, 1.339, 0.0018)) + add_form_factor("j6", "AM", 3,(-0.3159, 6.982, 0.0682, 3.995, 0.2141, 1.188,-0.0015)) + add_form_factor("j6", "AM", 4,(-0.1787, 7.880,-0.1274, 4.090, 0.2565, 1.315, 0.0017)) + add_form_factor("j6", "AM", 5,(-0.0927, 6.073,-0.2227, 3.784, 0.2916, 1.372, 0.0026)) + add_form_factor("j6", "AM", 6,( 0.0152, 6.079,-0.3549, 3.861, 0.3125, 1.403, 0.0036)) + add_form_factor("j6", "AM", 7,( 0.1292, 6.082,-0.4689, 3.879, 0.3234, 1.393, 0.0042)) diff --git a/test/test_magnetic_ff.py b/test/test_magnetic_ff.py index 94934ad..4fd6a23 100644 --- a/test/test_magnetic_ff.py +++ b/test/test_magnetic_ff.py @@ -1,9 +1,12 @@ from periodictable import elements def test(): + # add_form_factor("Form", "MFE2", ( 0.026300, 34.959702, 0.366800, 15.943500, 0.618800, 5.593500, -0.011900) ) + # add_form_factor("j2", "FE2 ",( 1.6490,16.559, 1.9064, 6.133, 0.5206, 2.137, 0.0035)) A,a,B,b,C,c,D = elements.Fe.magnetic_ff[2].j0 assert b == 15.9435 ion = elements.Fe.ion[2] assert ion.magnetic_ff[ion.charge].j0[3] == b + assert ion.magnetic_ff[ion.charge].j2[3] == 6.133 if __name__ == "__main__": test() From 5be2a231d7ae36d8c742427f16c379ce5630c71f Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 13 Feb 2024 17:15:46 -0500 Subject: [PATCH 11/76] Update github tests to latest node.js versions --- .github/workflows/test.yml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 0fa18c0..513c180 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -24,7 +24,7 @@ jobs: - uses: actions/checkout@v1 - name: Set up Python ${{ matrix.cfg.py }} - uses: actions/setup-python@v1 + uses: actions/setup-python@v5 with: python-version: ${{ matrix.cfg.py }} From 75b9c838da4eb4db5281afcd16fb45e03e8153fc Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 14 Feb 2024 15:06:09 -0500 Subject: [PATCH 12/76] Allow fasta strings to be used in mixtures. Fixes #68 --- doc/sphinx/guide/formula_grammar.rst | 6 ++- periodictable/formulas.py | 78 +++++++++++++++++++++------- 2 files changed, 63 insertions(+), 21 deletions(-) diff --git a/doc/sphinx/guide/formula_grammar.rst b/doc/sphinx/guide/formula_grammar.rst index a3d9b6a..f99e82e 100644 --- a/doc/sphinx/guide/formula_grammar.rst +++ b/doc/sphinx/guide/formula_grammar.rst @@ -153,13 +153,15 @@ The grammar used for parsing formula strings is the following: quantity :: count unit part ('//' count unit part)* percentage :: count 'wt%|vol%' part ('//' count '%' part)* '//' part part :: compound | '(' mixture ')' - compound :: group (separator group)* density? + compound :: (composite | fasta) density? + fasta :: ('dna' | 'rna' | 'aa') ':' [A-Z -*]+ + composite :: group (separator group)* group :: count element+ | '(' formula ')' count element :: symbol isotope? ion? count? symbol :: [A-Z][a-z]* isotope :: '[' number ']' ion :: '{' number? [+-] '}' - density :: '@' count + density :: '@' count [ni]? count :: number | fraction number :: [1-9][0-9]* fraction :: ([1-9][0-9]* | 0)? '.' [0-9]* diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 2c795f6..5602c28 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -250,14 +250,6 @@ def formula(compound=None, density=None, natural_density=None, elif isinstance(compound, dict): structure = _convert_to_hill_notation(compound) elif _is_string_like(compound): - if ':' in compound: - # TODO: avoid circular imports - # TODO: support other biochemicals (carbohydrate residues, lipids) - from . import fasta - seq_type, seq = compound.split(':', 1) - if seq_type in fasta.CODE_TABLES: - seq = fasta.Sequence(name=None, sequence=seq, type=seq_type) - return seq.labile_formula try: chem = parse_formula(compound, table=table) if name: @@ -297,7 +289,9 @@ def __init__(self, structure=tuple(), density=None, natural_density=None, elif density is not None: self.density = density elif len(self.atoms) == 1: - self.density = list(self.atoms.keys())[0].density + # Note: density for isotopes already corrected for natural density + atom = list(self.atoms.keys())[0] + self.density = atom.density else: self.density = None @@ -458,6 +452,8 @@ def volume(self, *args, **kw): Note: a single non-keyword argument is interpreted as a packing factor rather than a lattice spacing of 'a'. """ + # TODO: density estimated from H.covalent_radius is much too high + #H_radius = kw.pop('H_radius', None) # Get packing factor if len(args) == 1 and not kw: packing_factor = args[0] @@ -472,7 +468,10 @@ def volume(self, *args, **kw): # Compute atomic volume V = 0 for el, count in self.atoms.items(): - V += el.covalent_radius**3*count + radius = el.covalent_radius + #if el.number == 1 and H_radius is not None: + # radius = H_radius + V += radius**3*count V *= 4.*pi/3 # Translate packing factor from string @@ -640,6 +639,7 @@ def _isotope_substitution(compound, source, target, portion=1): return formula(atoms, density=density) +# TODO: Parser can't handle meters as 'm' because it conflicts with the milli prefix LENGTH_UNITS = {'nm': 1e-9, 'um': 1e-6, 'mm': 1e-3, 'cm': 1e-2} MASS_UNITS = {'ng': 1e-9, 'ug': 1e-6, 'mg': 1e-3, 'g': 1e+0, 'kg': 1e+3} VOLUME_UNITS = {'nL': 1e-9, 'uL': 1e-6, 'mL': 1e-3, 'L': 1e+0} @@ -696,6 +696,20 @@ def formula_grammar(table): whole = whole.setParseAction(lambda s, l, t: int(t[0]) if t[0] else 1) count = Optional(~White()+(fract|whole), default=1) + # Fasta code + fasta = Regex("aa|rna|dna") + Literal(":").suppress() + Regex("[A-Z *-]+") + def convert_fasta(string, location, tokens): + #print("fasta", string, location, tokens) + # TODO: avoid circular imports + # TODO: support other biochemicals (carbohydrate residues, lipids) + from . import fasta + seq_type, seq = tokens + if seq_type not in fasta.CODE_TABLES: + raise ValueError(f"Invalid fasta sequence type '{seq_type}:'") + seq = fasta.Sequence(name=None, sequence=seq, type=seq_type) + return seq.labile_formula + fasta.setParseAction(convert_fasta) + # Convert symbol, isotope, ion, count to (count, isotope) element = symbol+isotope+ion+count def convert_element(string, location, tokens): @@ -737,16 +751,32 @@ def convert_explicit(string, location, tokens): composite << group + ZeroOrMore(implicit_separator + group) density = Literal('@').suppress() + count + Optional(Regex("[ni]"), default='i') - compound = composite + Optional(density, default=None) + compound = (composite|fasta) + Optional(density, default=None) def convert_compound(string, location, tokens): - """convert material @ density""" - #print "compound", tokens - if tokens[-1] is None: - return Formula(structure=_immutable(tokens[:-1])) - elif tokens[-1] == 'n': - return Formula(structure=_immutable(tokens[:-2]), natural_density=tokens[-2]) + """convert material @ density or fasta @ density""" + # Messiness: both composite and density can be one or more tokens + # If density is missing then it is None, otherwise it is count + [ni] + # Compound can be a sequence of (count, fragment) pairs, or if it is + # a fasta sequence it may already be a formula. + material = tokens[:-1] if tokens[-1] is None else tokens[:-2] + if len(material) == 1 and isinstance(material[0], Formula): + formula = material[0] else: - return Formula(structure=_immutable(tokens[:-2]), density=tokens[-2]) + #print("unbundling material", material) + formula = Formula(structure=_immutable(material)) + density, form = (None, None) if tokens[-1] is None else tokens[-2:] + #if density is None and formula.density is None: + # # Estimate density from covalent radii and a 0.54 packing factor + # mass = formula.molecular_mass + # volume = formula.volume(packing_factor=0.54, H_radius=1.15) + # density, form = mass/volume, 'n' + # print(f"estimating density as {mass/volume=:.3f}") + if form == 'n': + formula.natural_density = density + elif form == 'i': + formula.density = density + #print("compound", formula, f"{formula.density=:.3f}") + return formula compound = compound.setParseAction(convert_compound) partsep = space + Literal('//').suppress() + space @@ -879,7 +909,9 @@ def parse_formula(formula_str, table=None): table = default_table(table) if table not in _PARSER_CACHE: _PARSER_CACHE[table] = formula_grammar(table) - return _PARSER_CACHE[table].parseString(formula_str)[0] + parser = _PARSER_CACHE[table] + #print(parser) + return parser.parseString(formula_str)[0] def _count_atoms(seq): """ @@ -982,3 +1014,11 @@ def _is_string_like(val): except Exception: return False return True + +def demo(): + import sys + compound = formula(sys.argv[1]) + print(f"{compound.hill}@{compound.density:.3f} sld={compound.neutron_sld()}") + +if __name__ == "__main__": + demo() From 43cfad60f39b724f9b6f24ea079f43ff1e62321c Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 14 Feb 2024 16:11:44 -0500 Subject: [PATCH 13/76] test fasta in mixture --- periodictable/formulas.py | 7 +++++++ test/test_formulas.py | 6 ++++++ 2 files changed, 13 insertions(+) diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 5602c28..60e6295 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -639,6 +639,7 @@ def _isotope_substitution(compound, source, target, portion=1): return formula(atoms, density=density) +# TODO: Grammar should be independent of table # TODO: Parser can't handle meters as 'm' because it conflicts with the milli prefix LENGTH_UNITS = {'nm': 1e-9, 'um': 1e-6, 'mm': 1e-3, 'cm': 1e-2} MASS_UNITS = {'ng': 1e-9, 'ug': 1e-6, 'mg': 1e-3, 'g': 1e+0, 'kg': 1e+3} @@ -662,6 +663,10 @@ def formula_grammar(table): an *element* or a list of pairs (*count, fragment*). """ + # TODO: fix circular imports + # This ickiness is because the formula class returned from the circular + # import of fasta does not match the local formula class. + from .formulas import Formula # Recursive composite = Forward() @@ -700,6 +705,7 @@ def formula_grammar(table): fasta = Regex("aa|rna|dna") + Literal(":").suppress() + Regex("[A-Z *-]+") def convert_fasta(string, location, tokens): #print("fasta", string, location, tokens) + # TODO: fasta is ignoring table when parsing # TODO: avoid circular imports # TODO: support other biochemicals (carbohydrate residues, lipids) from . import fasta @@ -759,6 +765,7 @@ def convert_compound(string, location, tokens): # Compound can be a sequence of (count, fragment) pairs, or if it is # a fasta sequence it may already be a formula. material = tokens[:-1] if tokens[-1] is None else tokens[:-2] + #print("compound", material, type(material[0]), len(material)) if len(material) == 1 and isinstance(material[0], Formula): formula = material[0] else: diff --git a/test/test_formulas.py b/test/test_formulas.py index d2e061c..35e7455 100644 --- a/test/test_formulas.py +++ b/test/test_formulas.py @@ -182,6 +182,12 @@ def test(): # fasta check_formula(formula('aa:A'), formula('C3H4H[1]NO')) + check_formula(formula('aa:RELEEL'), formula('C33H42H[1]11N9O12')) + check_formula(formula('aa:RELEEL'), formula('aa:RE-LEE L *UNUSED')) + check_formula( + formula('30%vol CCl4@1.2 //10% aa:RE-LE EL @1.8 // H2O@1'), + formula('30%vol CCl4@1.2 //10% C33H42H[1]11N9O12 @1.8 // H2O@1')) + def check_mass(f1, mass, tol=1e-14): """Check that the total mass of f1 is as expected.""" From bf73724816fcafae29fd4dcecd87913b71f564a8 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 14 Feb 2024 17:09:35 -0500 Subject: [PATCH 14/76] Add README to the end of the user guide. Fixes #29 --- doc/sphinx/guide/README_link.rst | 5 +++++ doc/sphinx/guide/index.rst | 1 + 2 files changed, 6 insertions(+) create mode 100644 doc/sphinx/guide/README_link.rst diff --git a/doc/sphinx/guide/README_link.rst b/doc/sphinx/guide/README_link.rst new file mode 100644 index 0000000..27a1e1b --- /dev/null +++ b/doc/sphinx/guide/README_link.rst @@ -0,0 +1,5 @@ +****** +README +****** + +.. include:: ../../../README.rst \ No newline at end of file diff --git a/doc/sphinx/guide/index.rst b/doc/sphinx/guide/index.rst index 6722b55..b756cfb 100644 --- a/doc/sphinx/guide/index.rst +++ b/doc/sphinx/guide/index.rst @@ -27,3 +27,4 @@ and if you want to know in detail about Periodic Table, refer to the data_sources.rst contributing.rst license.rst + README_link.rst From e0c8c8019502bbad1fe4f5eb743c152b4e8b15ab Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 21 Feb 2024 20:05:19 -0500 Subject: [PATCH 15/76] tweak fasta calculations: remove Na from dna/rna and add H+OH sequence terminators --- periodictable/fasta.py | 44 +++++++++++++++++++++++++++++------------- test/test_formulas.py | 2 +- 2 files changed, 32 insertions(+), 14 deletions(-) diff --git a/periodictable/fasta.py b/periodictable/fasta.py index 7f6c374..eb052dc 100644 --- a/periodictable/fasta.py +++ b/periodictable/fasta.py @@ -26,12 +26,21 @@ Neutron SLD for water at 20C is also provided as *H2O_SLD* and *D2O_SLD*. -For unmodified protein need to add 2*H[1] and O for terminations. +For unmodified protein an H and an OH are added for terminations. Assumes that proteins were created in an environment with the usual H/D isotope -ratio on the non-swappable hydrogens. +ratio on the nonlabile hydrogen. -[1] Perkins, S.J., 1985. Chapter 6 X-Ray and Neutron Solution Scattering, +The value of residue volumes differs from that used by the bio +scattering calculators from ISIS and ORSO, which will lead to different values +for SLD. There are small differences for the number of hydrogen in His and Cys +residues, where one table considers them present but labile and the other +considers them absent. + +DNA and RNA residues from the source[1] included sodium in the chemical formula, +but these have been removed and will not appear in the sequence. + +[1] Perkins, S.J., 1988. Chapter 6 X-Ray and Neutron Solution Scattering, in: New Comprehensive Biochemistry. Elsevier, pp. 143-265. https://doi.org/10.1016/S0167-7306(08)60575-X """ @@ -197,6 +206,10 @@ def load(filename, type=None): return Sequence(name, seq, type=type) def __init__(self, name, sequence, type='aa'): + # TODO: duplicated in Molecule.__init__ + # TODO: fasta does not work with table substitution + elements = default_table() + codes = CODE_TABLES[type] sequence = sequence.split('*', 1)[0] # stop at first '*' sequence = sequence.replace(' ', '') # ignore spaces @@ -206,6 +219,8 @@ def __init__(self, name, sequence, type='aa'): structure = [] for p in parts: structure.extend(list(p.labile_formula.structure)) + # Add H + OH terminators to the sequence + structure.extend(((2, elements.H[1]), (1, elements.O))) formula = parse_formula(structure).hill Molecule.__init__( @@ -414,20 +429,20 @@ def _(code, formula, V, name): return code, molecule RNA_BASES = dict(( # code, formula, volume, name - _("A", "C10H8H[1]3N5O6PNa", 299, "adenosine"), - _("T", "C9H8H[1]2N2O8PNa", 284, "uridine"), # Use H[1] for U in RNA - _("G", "C10H7H[1]4N5O7PNa", 304, "guanosine"), - _("C", "C9H8H[1]3N3O7PNa", 288, "cytidine"), + _("A", "C10H8H[1]3N5O6P", 299, "adenosine"), + _("T", "C9H8H[1]2N2O8P", 284, "uridine"), # Use H[1] for U in RNA + _("G", "C10H7H[1]4N5O7P", 304, "guanosine"), + _("C", "C9H8H[1]3N3O7P", 288, "cytidine"), )) __doc__ += "\n\n*RNA_BASES*::\n\n " + "\n ".join( "%s:%s"%(k, v.name) for k, v in sorted(RNA_BASES.items())) DNA_BASES = dict(( # code, formula, volume, %D2O matchpoint, name - _("A", "C10H9H[1]2N5O5PNa", 289, "adenosine"), - _("T", "C10H11H[1]1N2O7PNa", 301, "thymidine"), - _("G", "C10H8H[1]3N5O6PNa", 294, "guanosine"), - _("C", "C9H9H[1]2N3O6PNa", 278, "cytidine"), + _("A", "C10H9H[1]2N5O5P", 289, "adenosine"), + _("T", "C10H11H[1]1N2O7P", 301, "thymidine"), + _("G", "C10H8H[1]3N5O6P", 294, "guanosine"), + _("C", "C9H9H[1]2N3O6P", 278, "cytidine"), )) __doc__ += "\n\n*DNA_BASES*::\n\n " + "\n ".join( "%s:%s"%(k, v.name) for k, v in sorted(DNA_BASES.items())) @@ -493,15 +508,18 @@ def fasta_table(): def test(): from periodictable.constants import avogadro_number + from .formulas import formula elements = default_table() + H2O = formula("H2O@1n") + D2O = formula("D2O@1n") # Beta casein results checked against Duncan McGillivray's spreadsheet # name Hmass Dmass vol den #el xray Hsld Dsld # =========== ======= ======= ======= ===== ===== ===== ===== ===== # beta casein 23561.9 23880.9 30872.9 1.27 12614 11.55 1.68 2.75 seq = Sequence("beta casein", beta_casein) - assert abs(seq.mass - 23561.9) < 0.1 - assert abs(seq.Dmass - 23880.9) < 0.1 + assert abs((seq.mass-H2O.mass) - 23561.9) < 0.1 + assert abs((seq.Dmass-D2O.mass) - 23880.9) < 0.1 assert abs(seq.cell_volume - 30872.9) < 0.1 assert abs(seq.mass/avogadro_number/seq.cell_volume*1e24 - 1.267) < 0.01 assert abs(seq.sld - 1.68) < 0.01 diff --git a/test/test_formulas.py b/test/test_formulas.py index d2e061c..eb52593 100644 --- a/test/test_formulas.py +++ b/test/test_formulas.py @@ -181,7 +181,7 @@ def test(): mass=50*1.0707 + 20*D2O.density) # fasta - check_formula(formula('aa:A'), formula('C3H4H[1]NO')) + check_formula(formula('aa:A'), formula('C3H4H[1]3NO2')) def check_mass(f1, mass, tol=1e-14): """Check that the total mass of f1 is as expected.""" From 6c9c10b16a6422442750a23bc044fccd47ddaf77 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 26 Feb 2024 14:40:57 -0500 Subject: [PATCH 16/76] Use dna/rna volumes from Buckin, 1989 --- periodictable/fasta.py | 90 ++++++++++++++++++++++++++++++------------ 1 file changed, 64 insertions(+), 26 deletions(-) diff --git a/periodictable/fasta.py b/periodictable/fasta.py index eb052dc..9db5fcf 100644 --- a/periodictable/fasta.py +++ b/periodictable/fasta.py @@ -4,12 +4,12 @@ Biomolecule support. :class:`Molecule` lets you define biomolecules with labile hydrogen atoms -specified using H[1] in the chemical formula. The biomolecule object -creates forms with natural isotope ratio, all hydrogen and all deuterium. -Density can be provided as natural density or cell volume. A %D2O contrast -match value is computed for matching the molecule SLD in the presence of -labile hydrogens. :meth:`Molecule.D2Osld` computes the neutron SLD for -the solvated molecule in a %D2O solvent. +specified using H[1] in the chemical formula. The biomolecule object creates +forms with natural isotope ratio, all hydrogen and all deuterium. Density can be +provided as natural density or cell volume. A %D2O contrast match value is +computed for matching the molecule SLD in the presence of labile hydrogens. +:meth:`Molecule.D2Osld` computes the neutron SLD for the solvated molecule in a +%D2O solvent. :class:`Sequence` lets you read amino acid and DNA/RNA sequences from FASTA files. @@ -31,18 +31,43 @@ Assumes that proteins were created in an environment with the usual H/D isotope ratio on the nonlabile hydrogen. -The value of residue volumes differs from that used by the bio -scattering calculators from ISIS and ORSO, which will lead to different values -for SLD. There are small differences for the number of hydrogen in His and Cys -residues, where one table considers them present but labile and the other -considers them absent. +The value of residue volumes differs from that used by the bio scattering +calculators from ISIS and ORSO, which will lead to different values for SLD. +There are small differences for the number of hydrogen in His and Cys residues, +where one table considers them present but labile and the other considers them +absent. DNA and RNA residues from the source[1] included sodium in the chemical formula, -but these have been removed and will not appear in the sequence. - -[1] Perkins, S.J., 1988. Chapter 6 X-Ray and Neutron Solution Scattering, -in: New Comprehensive Biochemistry. Elsevier, pp. 143-265. +but these have been removed and will not appear in the sequence. Volumes for DNA +and RNA residues come from Buckin (1989) as reported in Durchlag (1997), with +correction for phosphorylation and dehydration. The correction value of 30.39 +comes from comparison of the volume given in Harroun (2006) to the volumes of +the RNA ACGU and DNA T nucleosides given in Buckin (1989) after correcting for +units. Harroun doesn't give volumes for DNA AGC nucleosides despite them being +different (especially guanosine). This code uses the values from Buckin for +these as well, rather than the RNA nucleoside values given in Harroun. Note that +the computed density for equal parts AGCT is 1.67, compared to the measured +average of 1.70 given in Arrighi (1970). + +[1] Perkins, S.J. (1988). Chapter 6 X-Ray and Neutron Solution Scattering, in: +New Comprehensive Biochemistry. Elsevier, pp. 143-265. https://doi.org/10.1016/S0167-7306(08)60575-X + +[2] Buckin, V. A., B. I. Kankiya, and R. L. Kazaryan (1989). Hydration of +nucleosides in dilute aqueous solutions: ultrasonic velocity and density +measurements. Biophysical chemistry 34.3 211-223. +https://doi.org/10.1016/0301-4622(89)80060-2 + +[3] Durchschlag, H. and Zipper, P. (1997). Calculation of partial specific +volumes and other volumetric properties of small molecules and polymers. Journal +of Applied Chemistry 30 803-807. https://doi.org/10.1107/S0021889897003348 + +[4] Harroun, T.A., Wignall, G.D., Katsaras, J. (2006). Neutron Scattering for +Biology. In: Neutron Scattering in Biology. Springer, Berlin, Heidelberg. +https://doi.org/10.1007/3-540-29111-3_1 + +[5] Arrighi, F.E., Mandel, M., Bergendahl, J. et al. (1970). Buoyant densities +of DNA of mammals. Biochem Genet 4, 367–376. https://doi.org/10.1007/BF00485753 """ from __future__ import division @@ -52,6 +77,7 @@ from .nsf import neutron_sld from .xsf import xray_sld from .core import default_table +from .constants import avogadro_number # CRUFT 1.5.2: retaining fasta.isotope_substitution for compatibility def isotope_substitution(formula, source, target, portion=1): @@ -424,25 +450,37 @@ def _(formula, V, name): "%s: %s"%(k, v.formula) for k, v in sorted(LIPIDS.items())) def _(code, formula, V, name): - molecule = Molecule(name, formula, cell_volume=V) + """ + Convert RNA/DNA table values into Molecule. + + Measured volumes from isolated mers reported in Durchschlag 1997, converted + from mL/mol, with an addition of 30.39 to account for phosphorylation and + dehydration in sequence. The value of 30.39 comes from comparison of the + volume given in Harroun (2006) to the volumes of the RNA + T nucleosides + given in Buckin (1989) after correcting for units. Harroun (2006) doesn't + give volumes for AGC in the DNA nucleosides despite them being different in + the Buckin source (especially guanosine). + """ + cell_volume = V * 1e24/avogadro_number + 30.39 + molecule = Molecule(name, formula, cell_volume=cell_volume) molecule.code = code return code, molecule RNA_BASES = dict(( - # code, formula, volume, name - _("A", "C10H8H[1]3N5O6P", 299, "adenosine"), - _("T", "C9H8H[1]2N2O8P", 284, "uridine"), # Use H[1] for U in RNA - _("G", "C10H7H[1]4N5O7P", 304, "guanosine"), - _("C", "C9H8H[1]3N3O7P", 288, "cytidine"), + # code, formula, volume (mL/mol), name + _("A", "C10H8H[1]3N5O6P", 170.8, "adenosine"), + _("T", "C9H8H[1]2N2O8P", 151.7, "uridine"), # Use H[1] for U in RNA + _("G", "C10H7H[1]4N5O7P", 178.2, "guanosine"), + _("C", "C9H8H[1]3N3O7P", 153.7, "cytidine"), )) __doc__ += "\n\n*RNA_BASES*::\n\n " + "\n ".join( "%s:%s"%(k, v.name) for k, v in sorted(RNA_BASES.items())) DNA_BASES = dict(( - # code, formula, volume, %D2O matchpoint, name - _("A", "C10H9H[1]2N5O5P", 289, "adenosine"), - _("T", "C10H11H[1]1N2O7P", 301, "thymidine"), - _("G", "C10H8H[1]3N5O6P", 294, "guanosine"), - _("C", "C9H9H[1]2N3O6P", 278, "cytidine"), + # code, formula, volume (mL/mol), name + _("A", "C10H9H[1]2N5O5P", 169.8, "adenosine"), + _("T", "C10H11H[1]1N2O7P", 167.6, "thymidine"), + _("G", "C10H8H[1]3N5O6P", 173.7, "guanosine"), + _("C", "C9H9H[1]2N3O6P", 153.4, "cytidine"), )) __doc__ += "\n\n*DNA_BASES*::\n\n " + "\n ".join( "%s:%s"%(k, v.name) for k, v in sorted(DNA_BASES.items())) From 9718f14daa6d5bfcad2ae2b3a9b58c27a658c058 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 26 Feb 2024 14:41:39 -0500 Subject: [PATCH 17/76] Add formulas.count_elements() to sum over isotopes and elements in the formula --- periodictable/formulas.py | 36 +++++++++++++++++++++++++++++++----- test/test_formulas.py | 11 ++++++++++- 2 files changed, 41 insertions(+), 6 deletions(-) diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 60e6295..642614b 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -13,7 +13,7 @@ from pyparsing import (Literal, Optional, White, Regex, ZeroOrMore, OneOrMore, Forward, StringEnd, Group) -from .core import default_table, isatom, isisotope, change_table +from .core import default_table, isatom, isisotope, ision, change_table from .constants import avogadro_number from .util import require_keywords, cell_volume @@ -930,10 +930,36 @@ def _count_atoms(seq): partial = _count_atoms(fragment) else: partial = {fragment: 1} - for el, elcount in partial.items(): - if el not in total: - total[el] = 0 - total[el] += elcount*count + for atom, atom_count in partial.items(): + if atom not in total: + total[atom] = 0 + total[atom] += atom_count*count + return total + +def count_elements(compound, by_isotope=False): + """ + Element composition of the molecule. + + Returns {*element*: *count*, ...} where the *count* is the total number + of each element in the chemical formula, summed across all isotopes and + ionization levels. + + If *by_isotope* is True, then sum across ionization + levels, keeping the individual isotopes separate. + """ + total = {} + # Note: could accumulate charge at the same time as counting elements. + for part, count in formula(compound).atoms.items(): + # Resolve isotopes and ions to the underlying element. Four cases: + # isotope with charge needs fragment.element.element + # isotope without charge needs fragment.element + # element with charge needs fragment.element + # element without charge needs fragment + if ision(part): + part = part.element + if not by_isotope: + part = getattr(part, "element", part) + total[part] = count + total.get(part, 0) return total def _immutable(seq): diff --git a/test/test_formulas.py b/test/test_formulas.py index 8657089..88d70b0 100644 --- a/test/test_formulas.py +++ b/test/test_formulas.py @@ -2,8 +2,9 @@ from copy import deepcopy from pickle import loads, dumps -from periodictable import Ca, C, O, H, Fe, Ni, Si, D, Na, Cl, Co, Ti +from periodictable import Ca, C, O, H, Fe, Ni, Si, D, Na, Cl, Co, Ti, S from periodictable import formula, mix_by_weight, mix_by_volume +from periodictable.formulas import count_elements def test(): ikaite = formula() @@ -43,6 +44,14 @@ def test(): # Check atom count assert formula("Fe2O4+3H2O").atoms == {Fe: 2, O: 7, H: 6} + # Check element count. The formula includes element, charged element, + # isotope and charged isotope. The "3" in front forces recursion into a + # formula tree. + f = formula("3HDS{6+}O{2-}3O[16]{2-}") + assert count_elements(f) == {S: 3, O: 12, H: 6} + assert str(formula(count_elements(f)).hill) == "H6O12S3" + assert count_elements(f, by_isotope=True) == {S: 3, O: 9, O[16]:3, H: 3, D: 3} + # Check charge assert formula("P{5+}O{2-}4").charge == -3 try: From 99c21df0560f97e00cda0e821fdc32be05a36ba2 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 26 Feb 2024 16:33:31 -0500 Subject: [PATCH 18/76] Allow percentage on final weight/volume. Fixes #38. --- periodictable/formulas.py | 39 ++++++++++++++++++++------------------- 1 file changed, 20 insertions(+), 19 deletions(-) diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 642614b..935872b 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -794,35 +794,36 @@ def convert_compound(string, location, tokens): volume_percent = (percent + volume) | (volume + percent) + space by_weight = (count + weight_percent + mixture + ZeroOrMore(partsep+count+(weight_percent|percent)+mixture) - + partsep + mixture) - def convert_by_weight(string, location, tokens): - """convert mixture by wt% or mass%""" - #print "by weight", tokens - piece = tokens[1:-1:2] + [tokens[-1]] - fract = [float(v) for v in tokens[:-1:2]] - fract.append(100-sum(fract)) + + Optional(partsep + mixture, default=None)) + def _parts_by_weight_vol(tokens): + #print("by weight or volume", tokens) + if tokens[-1] is None: + piece = tokens[1:-1:2] + fract = [float(v) for v in tokens[:-1:2]] + if abs(sum(fract) - 100) > 1e-12: + raise ValueError(f"Formula percentages must sum to 100%, not {sum(fract)}") + else: + piece = tokens[1:-1:2] + [tokens[-1]] + fract = [float(v) for v in tokens[:-1:2]] + fract.append(100-sum(fract)) + if fract[-1] < 0: + raise ValueError("Formula percentages must sum to less than 100%") #print piece, fract if len(piece) != len(fract): raise ValueError("Missing base component of mixture") - if fract[-1] < 0: - raise ValueError("Formula percentages must sum to less than 100%") + return piece, fract + def convert_by_weight(string, location, tokens): + """convert mixture by wt% or mass%""" + piece, fract = _parts_by_weight_vol(tokens) return _mix_by_weight_pairs(zip(piece, fract)) mixture_by_weight = by_weight.setParseAction(convert_by_weight) by_volume = (count + volume_percent + mixture + ZeroOrMore(partsep+count+(volume_percent|percent)+mixture) - + partsep + mixture) + + Optional(partsep + mixture, default=None)) def convert_by_volume(string, location, tokens): """convert mixture by vol%""" - #print "by volume", tokens - piece = tokens[1:-1:2] + [tokens[-1]] - fract = [float(v) for v in tokens[:-1:2]] - fract.append(100-sum(fract)) - #print piece, fract - if len(piece) != len(fract): - raise ValueError("Missing base component of mixture "+string) - if fract[-1] < 0: - raise ValueError("Formula percentages must sum to less than 100%") + piece, fract = _parts_by_weight_vol(tokens) return _mix_by_volume_pairs(zip(piece, fract)) mixture_by_volume = by_volume.setParseAction(convert_by_volume) From 3dd5ab52c733a7bff912d4c268397af2beb034e1 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 27 Feb 2024 15:26:43 -0500 Subject: [PATCH 19/76] Allow unicode subscripts in formulas --- doc/sphinx/guide/formula_grammar.rst | 30 ++++--- periodictable/formulas.py | 125 +++++++++++++++++++++++---- test/test_formulas.py | 21 ++++- 3 files changed, 150 insertions(+), 26 deletions(-) diff --git a/doc/sphinx/guide/formula_grammar.rst b/doc/sphinx/guide/formula_grammar.rst index f99e82e..948245a 100644 --- a/doc/sphinx/guide/formula_grammar.rst +++ b/doc/sphinx/guide/formula_grammar.rst @@ -68,6 +68,17 @@ A formula string is translated into a formula using >>> print(formula("CaCO3+(3HO1.5)2")) CaCO3((HO1.5)3)2 +* Unicode subscripts can be used for counts, with the usual decimal point: + + >>> print(formula("CaCO₃+(3HO₁.₅)₂")) + CaCO3((HO1.5)3)2 + +* Print formulas with unicode using the pretty() function: + + >>> from periodictable.formulas import pretty + >>> print(pretty(formula("CaCO3+(3HO1.5)2"))) + CaCO₃((HO₁.₅)₃)₂ + * Formula density can be specified using the special '@' tag: >>> print(formula("NaCl@2.16").density) @@ -150,20 +161,20 @@ The grammar used for parsing formula strings is the following: formula :: compound | mixture | nothing mixture :: quantity | percentage - quantity :: count unit part ('//' count unit part)* - percentage :: count 'wt%|vol%' part ('//' count '%' part)* '//' part + quantity :: number unit part ('//' number unit part)* + percentage :: number 'wt%|vol%' part ('//' number '%' part)* '//' part part :: compound | '(' mixture ')' compound :: (composite | fasta) density? fasta :: ('dna' | 'rna' | 'aa') ':' [A-Z -*]+ composite :: group (separator group)* - group :: count element+ | '(' formula ')' count - element :: symbol isotope? ion? count? + group :: number element+ | '(' formula ')' number + element :: symbol isotope? ion? number? symbol :: [A-Z][a-z]* - isotope :: '[' number ']' - ion :: '{' number? [+-] '}' - density :: '@' count [ni]? - count :: number | fraction - number :: [1-9][0-9]* + isotope :: '[' integer ']' + ion :: '{' integer? [+-] '}' + density :: '@' number [ni]? + number :: integer | fraction + integer :: [1-9][0-9]* fraction :: ([1-9][0-9]* | 0)? '.' [0-9]* separator :: space? '+'? space? unit :: mass | volume | length @@ -171,7 +182,6 @@ The grammar used for parsing formula strings is the following: volume :: 'L' | 'mL' | 'uL' | 'nL' length :: 'cm' | 'mm' | 'um' | 'nm' - Formulas can also be constructed from atoms or other formulas: * A simple formula can be created from a bare atom: diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 935872b..66e73a5 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -695,11 +695,18 @@ def formula_grammar(table): ion = ion.setParseAction(lambda s, l, t: int(t[0][-1]+(t[0][:-1] if len(t[0]) > 1 else '1'))) # Translate counts + # TODO: regex should reject a bare '.' if we want to allow dots between formula parts fract = Regex("(0|[1-9][0-9]*|)([.][0-9]*)") fract = fract.setParseAction(lambda s, l, t: float(t[0]) if t[0] else 1) - whole = Regex("[1-9][0-9]*") + whole = Regex("(0|[1-9][0-9]*)") whole = whole.setParseAction(lambda s, l, t: int(t[0]) if t[0] else 1) - count = Optional(~White()+(fract|whole), default=1) + number = Optional(~White()+(fract|whole), default=1) + # TODO use unicode ₀₁₉ in the code below? + sub_fract = Regex("(\u2080|[\u2081-\u2089][\u2080-\u2089]*|)([.][\u2080-\u2089]*)") + sub_fract = sub_fract.setParseAction(lambda s, l, t: float(from_subscript(t[0])) if t[0] else 1) + sub_whole = Regex("(\u2080|[\u2081-\u2089][\u2080-\u2089]*)") + sub_whole = sub_whole.setParseAction(lambda s, l, t: int(from_subscript(t[0])) if t[0] else 1) + sub_count = Optional(~White()+(fract|whole|sub_fract|sub_whole), default=1) # Fasta code fasta = Regex("aa|rna|dna") + Literal(":").suppress() + Regex("[A-Z *-]+") @@ -717,7 +724,7 @@ def convert_fasta(string, location, tokens): fasta.setParseAction(convert_fasta) # Convert symbol, isotope, ion, count to (count, isotope) - element = symbol+isotope+ion+count + element = symbol+isotope+ion+sub_count def convert_element(string, location, tokens): """interpret string as element""" #print "convert_element received", tokens @@ -730,7 +737,7 @@ def convert_element(string, location, tokens): element = element.setParseAction(convert_element) # Convert "count elements" to a pair - implicit_group = count+OneOrMore(element) + implicit_group = number+OneOrMore(element) def convert_implicit(string, location, tokens): """convert count followed by fragment""" #print "implicit", tokens @@ -742,7 +749,7 @@ def convert_implicit(string, location, tokens): # Convert "(composite) count" to a pair opengrp = space + Literal('(').suppress() + space closegrp = space + Literal(')').suppress() + space - explicit_group = opengrp + composite + closegrp + count + explicit_group = opengrp + composite + closegrp + sub_count def convert_explicit(string, location, tokens): """convert (fragment)count""" #print "explicit", tokens @@ -756,7 +763,7 @@ def convert_explicit(string, location, tokens): implicit_separator = separator | space composite << group + ZeroOrMore(implicit_separator + group) - density = Literal('@').suppress() + count + Optional(Regex("[ni]"), default='i') + density = Literal('@').suppress() + number + Optional(Regex("[ni]"), default='i') compound = (composite|fasta) + Optional(density, default=None) def convert_compound(string, location, tokens): """convert material @ density or fasta @ density""" @@ -792,8 +799,8 @@ def convert_compound(string, location, tokens): volume = Regex("v(ol(ume)?)?").suppress() weight_percent = (percent + weight) | (weight + percent) + space volume_percent = (percent + volume) | (volume + percent) + space - by_weight = (count + weight_percent + mixture - + ZeroOrMore(partsep+count+(weight_percent|percent)+mixture) + by_weight = (number + weight_percent + mixture + + ZeroOrMore(partsep+number+(weight_percent|percent)+mixture) + Optional(partsep + mixture, default=None)) def _parts_by_weight_vol(tokens): #print("by weight or volume", tokens) @@ -818,8 +825,8 @@ def convert_by_weight(string, location, tokens): return _mix_by_weight_pairs(zip(piece, fract)) mixture_by_weight = by_weight.setParseAction(convert_by_weight) - by_volume = (count + volume_percent + mixture - + ZeroOrMore(partsep+count+(volume_percent|percent)+mixture) + by_volume = (number + volume_percent + mixture + + ZeroOrMore(partsep+number+(volume_percent|percent)+mixture) + Optional(partsep + mixture, default=None)) def convert_by_volume(string, location, tokens): """convert mixture by vol%""" @@ -828,8 +835,8 @@ def convert_by_volume(string, location, tokens): mixture_by_volume = by_volume.setParseAction(convert_by_volume) mixture_by_layer = Forward() - layer_thick = Group(count + Regex(LENGTH_RE) + space) - layer_part = (layer_thick + mixture) | (opengrp + mixture_by_layer + closegrp +count) + layer_thick = Group(number + Regex(LENGTH_RE) + space) + layer_part = (layer_thick + mixture) | (opengrp + mixture_by_layer + closegrp + sub_count) mixture_by_layer << layer_part + ZeroOrMore(partsep + layer_part) def convert_by_layer(string, location, tokens): """convert layer thickness '# nm material'""" @@ -854,8 +861,8 @@ def convert_by_layer(string, location, tokens): mixture_by_layer = mixture_by_layer.setParseAction(convert_by_layer) mixture_by_absmass = Forward() - absmass_mass = Group(count + Regex(MASS_VOLUME_RE) + space) - absmass_part = (absmass_mass + mixture) | (opengrp + mixture_by_absmass + closegrp + count) + absmass_mass = Group(number + Regex(MASS_VOLUME_RE) + space) + absmass_part = (absmass_mass + mixture) | (opengrp + mixture_by_absmass + closegrp + sub_count) mixture_by_absmass << absmass_part + ZeroOrMore(partsep + absmass_part) def convert_by_absmass(string, location, tokens): """convert mass '# mg material'""" @@ -1049,10 +1056,98 @@ def _is_string_like(val): return False return True +def from_subscript(value): + subscript_codepoints = { + '\u2080': '0', '\u2081': '1', '\u2082': '2', '\u2083': '3', + '\u2084': '4', '\u2085': '5', '\u2086': '6', '\u2087': '7', + '\u2088': '8', '\u2089': '9', '\u208a': '+', '\u208b': '-', + '\u208c': '=', '\u208d': '(', '\u208e': ')', + + '\u2090': 'a', '\u2091': 'e', '\u2092': 'o', '\u2093': 'x', + '\u2095': 'h', '\u2096': 'k', '\u2097': 'l', + '\u2098': 'm', '\u2099': 'n', '\u209a': 'p', '\u209b': 's', + '\u209c': 't', + } + return ''.join(subscript_codepoints.get(char, char) for char in str(value)) + +def unicode_subscript(value): + # Unicode subscript codepoints. Note that decimal point looks okay as subscript + subscript_codepoints = { + '0': '\u2080', '1': '\u2081', '2': '\u2082', '3': '\u2083', + '4': '\u2084', '5': '\u2085', '6': '\u2086', '7': '\u2087', + '8': '\u2088', '9': '\u2089', '+': '\u208a', '-': '\u208b', + '=': '\u208c', '(': '\u208d', ')': '\u208e', + + 'a': '\u2090', 'e': '\u2091', 'o': '\u2092', 'x': '\u2093', + 'h': '\u2095', 'k': '\u2096', 'l': '\u2097', + 'm': '\u2098', 'n': '\u2099', 'p': '\u209a', 's': '\u209b', + 't': '\u209c', + + '\u2013': '\u208b', # en-dash is same as dash + '\u2014': '\u208b', # em-dash is same as dash + } + return ''.join(subscript_codepoints.get(char, char) for char in str(value)) + +def unicode_superscript(value): + # Unicode subscript codepoints. Note that decimal point looks okay as subscript + superscript_codepoints = { + #'.': '\u00B0', # degree symbol looks too much like zero + #'.': ' \u02D9', # dot above modifier looks okay in a floating string, but risky + #'.': ' \u0307', # space with dot above? + #'.': '\u22C5', # math dot operator + '.': '\u1427', # Canadian aboriginal extended block dot (looks good on mac) + '2': '\u00B2', '3': '\u00B3', + '1': '\u00B9', + '0': '\u2070', 'i': '\u2071', + '4': '\u2074', '5': '\u2075', '6': '\u2076', '7': '\u2077', + '9': '\u2078', '0': '\u2079', '+': '\u207a', '-': '\u207b', + '=': '\u207c', '(': '\u207d', ')': '\u207e', 'n': '\u207f', + + '\u2013': '\u207b', # en-dash is same as dash + '\u2014': '\u207b', # em-dash is same as dash + } + return ''.join(superscript_codepoints.get(char, char) for char in str(value)) + +SUPERSCRIPT = { + # The latex renderer should work for github style markdown + 'latex': lambda text: f'$_{{{text}}}$', + 'html': lambda text: f'{text}', + 'unicode': unicode_subscript, + 'plain': lambda text: text +} +def pretty(compound, mode='unicode'): + """ + Convert the formula to a string. The *mode* can be 'unicode', 'html' or + 'latex' depending on how subscripts should be rendered. If *mode*='plain' + then don't use subscripts for the element quantities. + + Use *pretty(compound.hill)* for a more compact representation. + """ + return _pretty(compound.structure, SUPERSCRIPT[mode]) + +def _pretty(structure, subscript): + # TODO: if superscript is not None then render O[16] as {}^{16}O + parts = [] + for count, part in structure: + if isinstance(part, tuple): + if count == 1: + parts.append(_pretty(part, subscript)) + else: + parts.append(f'({_pretty(part, subscript)}){subscript(count)}') + elif count == 1: + parts.append(f'{part}') + else: + parts.append(f'{part}{subscript(count)}') + return ''.join(parts) + + def demo(): import sys compound = formula(sys.argv[1]) - print(f"{compound.hill}@{compound.density:.3f} sld={compound.neutron_sld()}") + if compound.density is None: + print(f"Missing density for {pretty(compound.hill)}") + else: + print(f"{pretty(compound.hill)}@{compound.density:.3f} sld={compound.neutron_sld()}") if __name__ == "__main__": demo() diff --git a/test/test_formulas.py b/test/test_formulas.py index 88d70b0..3d890c3 100644 --- a/test/test_formulas.py +++ b/test/test_formulas.py @@ -4,7 +4,14 @@ from periodictable import Ca, C, O, H, Fe, Ni, Si, D, Na, Cl, Co, Ti, S from periodictable import formula, mix_by_weight, mix_by_volume -from periodictable.formulas import count_elements +from periodictable.formulas import count_elements, pretty + +def check_parse_fails(s): + try: + formula(s) + except Exception as exc: + return True + raise Exception(f'formula("{s}") should fail to parse') def test(): ikaite = formula() @@ -33,6 +40,18 @@ def test(): assert str(ikaite.hill) == "CH12CaO9" assert formula([(0.75, Fe), (0.25, Ni)]) == formula("Fe0.75Ni0.25") + # Unicode, latex and html subscripts + assert formula([(0.75, Fe), (0.25, Ni)]) == formula("Fe₀.₇₅Ni₀.₂₅") + assert ikaite == formula("CaCO₃(H₂O)₆") + assert ikaite == formula("CaCO₃6H₂O") # with subscripts we know it isn't O36 + assert pretty(ikaite, 'unicode') == "CaCO₃(H₂O)₆" + assert pretty(ikaite, 'html') == "CaCO3(H2O)6" + assert pretty(ikaite, 'latex') == "CaCO$_{3}$(H$_{2}$O)$_{6}$" + # Only allow subscripts in the post position + assert check_parse_fails("₃H₂O") + assert check_parse_fails("H₂O@₁") + assert check_parse_fails("₁wt% NaCl@2.3 // H₂O@1n") + # Test composition #print formula("CaCO3") + 6*formula("H2O") assert ikaite == formula("CaCO3") + 6*formula("H2O") From e78b0dcef4ba62f338f3ad63e361f9994321ef55 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 28 Feb 2024 13:29:18 -0500 Subject: [PATCH 20/76] Improve precision of exp(-U)-exp(-V) in the activation calculation. --- periodictable/activation.py | 64 ++++++++++++++++++++++++++++++++++--- 1 file changed, 60 insertions(+), 4 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index 87b8e67..1281ed7 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -463,10 +463,14 @@ def activity(isotope, mass, env, exposure, rest_times): # Column W: L/(L-nvs1+nvs2) W = lam/(lam-flux*initialXS*3600*1e-24+env.fluence*effectiveXS*3600*1e-24) # Column X: V#*[e(-S#)-e(U#)] - if abs(U) < 1e-10 and abs(V) < 1e-10: - precision_correction = W * (V-U+(V+U)/2) - else: - precision_correction = W * (exp(-U)-exp(-V)) + # [PAK 2024-02-28] The original expression is a very poor approximation: + # if abs(U) < 1e-10 and abs(V) < 1e-10: + # precision_correction = W * (V-U+(V+U)/2) + # else: + # precision_correction = W * (exp(-U)-exp(-V)) + # Instead rewrite using exp(-V)*(exp(V-U) - 1) and use expm1. + # Run _check_exp_diff() below for verification. + precision_correction = W*exp(-V)*expm1(V-U) activity = root*precision_correction if activity < 0: @@ -576,5 +580,57 @@ def demo(): # pragma: nocover # env, exposure=exposure, rest_times=[0], # abundance=IAEA1987_isotopic_abundance) +def _check_exp_diff(p, delta): + """ + Compare methods for computing exp(-U) - exp(-V). + + The output shows error relative as log10(|(f - m)/m|) where + m is computed with 500 bits of precision: + + * Δexp uses exp(-V) - exp(-U) + * Δexpm1 uses exp(-V)*expm1(V-U) + * Δtaylor uses (V-U) + (U**2-V**2)/2 = (V-U)*(1-(V+U)/2) + * Δoriginal uses (V-U) + (V+U)/2 + + Call with (p, δ) such that U = 10**p, V = 10**p + 10**(p-δ). That is, + *p* gives the order of magnitude of the function and *delta* gives the + relative magnitude of the difference. For example, (-3,2)=>(0.001,0.00101) + + Try with:: + + for k in range(-20,3,3): _check_exp_diff(k,8) + + The spreadsheet uses the original expression when U, V are less than 1e-10 + but the approximation is poor even in that region. + + The Δexpm1 is strictly better than the direct calculatio almost everywhere. + Where it is worse it is only slightly worse, and the calculated activity + is small. It is at least as good as the Taylor approximation everywhere. + + The expm1 form gives us at least 0.1% precision relative to the high + accuracy calculation. This occurs when U,V differ in the final digit + of a double precision number. When U,V differ in the 10th digit we + get 6-7 digits of precision. If they differ in the 3rd digit we get the + full precision for floating point double values. The precision is roughly + constant across the domain. + """ + import mpmath as mp + import math + with mp.workprec(500): + mp_x, mp_y = mp.mpf(10)**p, mp.mpf(10)**p + mp.mpf(10)**(p-delta) + mp_diff = mp.exp(-mp_x) - mp.exp(-mp_y) + #print(f"{mp_x} {mp_y} {mp_diff}") + math_x, math_y = 10**p, 10**p + 10**(p-delta) + #print(f"{math_y}-{math_x}={math_y - math_x}") + math_diff = math.exp(-math_x) - math.exp(-math_y) + math_alt = math.exp(-math_y)*math.expm1(math_y-math_x) + math_orig = math_y-math_x + (math_y+math_x)/2 + math_tay = math_y-math_x + (math_x**2-math_y**2)/2 + math_tay = (math_y-math_x)*(1 - (math_x+math_y)/2) + def err(v): return f"{math.log10(float(abs((v-mp_diff)/mp_diff))):4.1f}" + #print(f"mp:{mp_diff} direct:{math_diff} alt:{math_alt} taylor:{math_tay}") + print(f"U:1e{p:<3d} mp: {mp.nstr(mp_diff,10):15s} Δexp: {err(math_diff)} Δexpm1: {err(math_alt)} Δtaylor: {err(math_tay)} Δoriginal: {err(math_orig)}") + if __name__ == "__main__": + #for k in range(-20,3,3): _check_exp_diff(k,10) demo() # pragma: nocover From 781fd6df1e814e9ed74611fc39b2ee13af0beeb6 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 28 Feb 2024 14:51:25 -0500 Subject: [PATCH 21/76] avoid overflow in exp(-U)-exp(-V) activation calculation --- periodictable/activation.py | 133 ++++++++++++++++++++++-------------- 1 file changed, 83 insertions(+), 50 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index 1281ed7..6c82979 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -179,11 +179,16 @@ def decay_time(self, target): # Find the small rest time (probably 0 hr) min_rest, To = min(enumerate(self.rest_times), key=lambda x: x[1]) # Find the activity at that time, and the decay rate - data = [(Ia[min_rest], LN2/a.Thalf_hrs) for a, Ia in self.activity.items()] + data = [ + (Ia[min_rest], LN2/a.Thalf_hrs) + for a, Ia in self.activity.items() + # TODO: not sure why Ia is zero, but it messes up the initial value guess if it is there + if Ia[min_rest] > 0.0 + ] # Build functions for total activity at time T - target and its derivative # This will be zero when activity is at target f = lambda t: sum(Ia*exp(-La*(t-To)) for Ia, La in data) - target - df = lambda t: sum(La*Ia*(To-1)*exp(-La*(t-To)) for Ia, La in data) + df = lambda t: sum(-La*Ia*exp(-La*(t-To)) for Ia, La in data) # Return target time, or 0 if target time is negative if f(0) < target: return 0 @@ -192,6 +197,7 @@ def decay_time(self, target): # dominate at long times, but at short times they will not affect the # derivative. Choosing a time that satisfies the longest half-life seems # to work well enough. + #print("data", data, []) initial = max(-log(target/Ia)/La + To for Ia, La in data) t, ft = find_root(initial, f, df) percent_error = 100*abs(ft)/target @@ -284,6 +290,7 @@ def find_root(x, f, df, max=20, tol=1e-10): """ fx = f(x) for _ in range(max): + #print(f"step {_}: {x=} {fx=} f'={df(x)}") if abs(f(x)) < tol: break x -= fx / df(x) @@ -463,16 +470,26 @@ def activity(isotope, mass, env, exposure, rest_times): # Column W: L/(L-nvs1+nvs2) W = lam/(lam-flux*initialXS*3600*1e-24+env.fluence*effectiveXS*3600*1e-24) # Column X: V#*[e(-S#)-e(U#)] - # [PAK 2024-02-28] The original expression is a very poor approximation: - # if abs(U) < 1e-10 and abs(V) < 1e-10: - # precision_correction = W * (V-U+(V+U)/2) - # else: - # precision_correction = W * (exp(-U)-exp(-V)) - # Instead rewrite using exp(-V)*(exp(V-U) - 1) and use expm1. - # Run _check_exp_diff() below for verification. - precision_correction = W*exp(-V)*expm1(V-U) - + # [PAK 2024-02-28] Rewrite the precision correction using the + # high accuracy expm1() function to avoid cancellation. + # See _check_exp_diff() below for verification. + precision_correction = W*exp(-V)*expm1(V-U) if U>V else -W*exp(-U)*expm1(U-V) activity = root*precision_correction + + # Check the effects of changing the formula. To look at all elements + # at once, enable the following and use: + # $ python -m periodictable.activation -m 1000 -f 1e8 -e 1000 + if 0: + if abs(U) < 1e-10 and abs(V) < 1e-10: + precision_correction = W * (V-U+(V+U)/2) + trigger = '*' + else: + precision_correction = exp(-U) - exp(-V) + trigger = '' + delta = activity - root*precision_correction + if activity > 0 and delta/activity > 1e-4: + print(f"{trigger}activity change {delta:10.4e} from {activity:10.4e} ({100*delta/activity:.2f}%) for {ai.isotope} => {ai.daughter} ({ai.reaction})") + if activity < 0: msg = "activity %g less than zero for %g"%(activity, isotope) raise RuntimeError(msg) @@ -539,47 +556,10 @@ def init(table, reload=False): class ActivationResult(object): def __init__(self, **kw): self.__dict__ = kw + def __str__(self): + return str(self.__dict__) -def demo(): # pragma: nocover - import sys - decay_level = 5e-4 - fluence = 1e5 - exposure = 10 - mass = 1 - if len(sys.argv) > 1: - formula = sys.argv[1] - else: - # Make sure all elements compute - import periodictable as pt - formula = "".join(str(el) for el in pt.elements)[1:] - # Use an enormous mass to force significant activation of rare isotopes - mass, fluence = 1e15, 1e8 - env = ActivationEnvironment(fluence=fluence, Cd_ratio=70, fast_ratio=50, location="BT-2") - sample = Sample(formula, mass=mass) - sample.calculate_activation( - env, exposure=exposure, rest_times=(0, 1, 24, 360), - abundance=IAEA1987_isotopic_abundance, - #abundance=NIST2001_isotopic_abundance, - ) - print("%gg %s for %g hours at %g n/cm^2/s" - % (mass, formula, exposure, fluence)) - print("Time to decay to %g uCi is %g hours." - % (decay_level, sample.decay_time(decay_level))) - sample.show_table(cutoff=0.0) - - ## Print a table of flux vs. activity so we can debug the - ## precision_correction value in the activity() function. - ## Note that you also need to uncomment the print statement - ## at the end of activity() that shows the column values. - #import numpy as np - #sample = Sample('Co', mass=10) - #for fluence in np.logspace(3, 20, 20-3+1): - # env = ActivationEnvironment(fluence=fluence) - # sample.calculate_activation( - # env, exposure=exposure, rest_times=[0], - # abundance=IAEA1987_isotopic_abundance) - def _check_exp_diff(p, delta): """ Compare methods for computing exp(-U) - exp(-V). @@ -631,6 +611,59 @@ def err(v): return f"{math.log10(float(abs((v-mp_diff)/mp_diff))):4.1f}" #print(f"mp:{mp_diff} direct:{math_diff} alt:{math_alt} taylor:{math_tay}") print(f"U:1e{p:<3d} mp: {mp.nstr(mp_diff,10):15s} Δexp: {err(math_diff)} Δexpm1: {err(math_alt)} Δtaylor: {err(math_tay)} Δoriginal: {err(math_orig)}") +def demo(): # pragma: nocover + import sys + import argparse + import periodictable as pt + + # From chatGPT + parser = argparse.ArgumentParser(description='Process some data with mass, flux, exposure, and decay options.') + parser.add_argument('-m', '--mass', type=float, default=1, help='Specify the mass value (default: 1)') + parser.add_argument('-f', '--flux', type=float, default=1e8, help='Specify the flux value (default: 1e8)') + parser.add_argument('-e', '--exposure', type=float, default=10, help='Specify the exposure value (default: 10)') + parser.add_argument('-d', '--decay', type=float, default=5e-4, help='Specify the decay value (default: 5e-4)') + parser.add_argument('--cd-ratio', type=float, default=70, help='Specify the Cd ratio value (default: 70)') + parser.add_argument('--fast-ratio', type=float, default=50, help='Specify the fast ratio value (default: 50)') + + parser.add_argument('formula', nargs='?', type=str, default=None, help='Specify the formula as a positional argument') + args = parser.parse_args() + + formula = args.formula + if formula is None: + # Make sure all elements compute + #formula = "".join(str(el) for el in pt.elements)[1:] + formula = build_formula([(1/el.mass, el) for el in pt.elements][1:]) + # Use an enormous mass to force significant activation of rare isotopes + mass, fluence = 1e15, 1e8 + env = ActivationEnvironment(fluence=args.flux, Cd_ratio=args.cd_ratio, fast_ratio=args.fast_ratio, location="BT-2") + sample = Sample(formula, mass=args.mass) + abundance = IAEA1987_isotopic_abundance + #abundance=NIST2001_isotopic_abundance, + sample.calculate_activation( + env, exposure=args.exposure, rest_times=(0, 1, 24, 360), + abundance=abundance, + ) + decay_time = sample.decay_time(args.decay) + print(f"{args.mass} g {formula} for {args.exposure} hours at {args.flux} n/cm^2/s") + print(f"Time to decay to {args.decay} uCi is {decay_time} hours.") + sample.calculate_activation( + env, exposure=args.exposure, rest_times=(0, 1, 24, 360, decay_time), + abundance=abundance, + ) + sample.show_table(cutoff=0.0) + + ## Print a table of flux vs. activity so we can debug the + ## precision_correction value in the activity() function. + ## Note that you also need to uncomment the print statement + ## at the end of activity() that shows the column values. + #import numpy as np + #sample = Sample('Co', mass=10) + #for fluence in np.logspace(3, 20, 20-3+1): + # env = ActivationEnvironment(fluence=fluence) + # sample.calculate_activation( + # env, exposure=exposure, rest_times=[0], + # abundance=IAEA1987_isotopic_abundance) + if __name__ == "__main__": #for k in range(-20,3,3): _check_exp_diff(k,10) demo() # pragma: nocover From 689395377b43bd1aa853044efb341ea29e39b306 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 1 Mar 2024 17:13:02 -0500 Subject: [PATCH 22/76] Fix allowing default tolerance in scattering factor consistency tables --- periodictable/nsf.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/periodictable/nsf.py b/periodictable/nsf.py index 5cd6644..db288b7 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -1764,7 +1764,7 @@ def energy_dependent_table(table=None): if dep: print(" " + " ".join(dep)) -def _diff(iso, a, b, tol=0.01): +def _diff(iso, a, b, tol): if None in (a, b): if a is not None or b is not None: if a is None and b > tol: @@ -1777,7 +1777,9 @@ def _diff(iso, a, b, tol=0.01): print("%10s %8.2f %8.2f %5.1f%%" % (iso, a, b, (100*(a-b)/b if b != 0 else inf))) -def compare(fn1, fn2, table=None, tol=0.01): +def compare(fn1, fn2, table=None, tol=None): + if tol is None: + tol = 0.01 table = default_table(table) for el in table: try: From 06a1dde6c1f054866cec6f4180624b006c09f6a8 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 1 Mar 2024 19:29:17 -0500 Subject: [PATCH 23/76] use double precision for activation table values on load --- periodictable/activation.py | 62 ++++++++++++++++++++++++++++++------- 1 file changed, 50 insertions(+), 12 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index 6c82979..b0cd648 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -214,7 +214,7 @@ def _accumulate(self, activity): el_total = self.activity.get(el, [0]*len(self.rest_times)) self.activity[el] = [T+v for T, v in zip(el_total, activity_el)] - def show_table(self, cutoff=0.0001, format="%.4g"): + def show_table(self, cutoff=0.0001, format="%.6e"): """ Tabulate the daughter products. @@ -250,8 +250,8 @@ def show_table(self, cutoff=0.0001, format="%.4g"): # Print a dashed separator above and below each column header = ["isotope", "product", "reaction", "half-life"] \ + ["%g hrs"%vi for vi in self.rest_times] - separator = ["-"*8, "-"*8, "-"*8, "-"*10] + ["-"*12]*len(self.rest_times) - cformat = "%-8s %-8s %8s %10s " + " ".join(["%12s"]*len(self.rest_times)) + separator = ["-"*8, "-"*9, "-"*8, "-"*10] + ["-"*12]*len(self.rest_times) + cformat = "%-8s %-9s %8s %10s " + " ".join(["%12s"]*len(self.rest_times)) width = sum(len(c)+1 for c in separator[4:]) - 1 if width < 16: @@ -366,6 +366,7 @@ def epithermal_reduction_factor(self): INT_COLUMNS = [1, 2, 4] BOOL_COLUMNS = [13] FLOAT_COLUMNS = [6, 11, 14, 15, 16, 17, 19, 20, 21] +UNITS_TO_HOURS = {'y': 8760, 'd': 24, 'h': 1, 'm': 1/60, 's': 1/3600} def activity(isotope, mass, env, exposure, rest_times): """ @@ -460,7 +461,6 @@ def activity(isotope, mass, env, exposure, rest_times): # reactions (excluding 'b') is included here. # See README file for details. - # Column P: effective cross-section 2n product and n, g burnup (b) # Note: This cross-section always uses the total thermal flux effectiveXS = ai.thermalXS_parent + env.epithermal_reduction_factor*ai.resonance_parent # Column U: nv1s1t @@ -469,24 +469,26 @@ def activity(isotope, mass, env, exposure, rest_times): V = (env.fluence*effectiveXS*3600*1e-24+lam)*exposure # Column W: L/(L-nvs1+nvs2) W = lam/(lam-flux*initialXS*3600*1e-24+env.fluence*effectiveXS*3600*1e-24) - # Column X: V#*[e(-S#)-e(U#)] + # Column X: W*(exp(-U)-exp(V)) if U,V > 1e-10 else W*(V-U+(V-U)*(V+U)/2) # [PAK 2024-02-28] Rewrite the precision correction using the # high accuracy expm1() function to avoid cancellation. # See _check_exp_diff() below for verification. - precision_correction = W*exp(-V)*expm1(V-U) if U>V else -W*exp(-U)*expm1(U-V) - activity = root*precision_correction + X = W*exp(-V)*expm1(V-U) if U>V else -W*exp(-U)*expm1(U-V) + # Column Y: O if "b" else T if "2n" else L*X + activity = root*X + #print(f"{ai.isotope}=>{ai.daughter} {U=} {V=} {W=} {X=} {activity=}") # Check the effects of changing the formula. To look at all elements # at once, enable the following and use: # $ python -m periodictable.activation -m 1000 -f 1e8 -e 1000 if 0: if abs(U) < 1e-10 and abs(V) < 1e-10: - precision_correction = W * (V-U+(V+U)/2) + X = W * (V-U+(V+U)/2) trigger = '*' else: - precision_correction = exp(-U) - exp(-V) + X = exp(-U) - exp(-V) trigger = '' - delta = activity - root*precision_correction + delta = activity - root*X if activity > 0 and delta/activity > 1e-4: print(f"{trigger}activity change {delta:10.4e} from {activity:10.4e} ({100*delta/activity:.2f}%) for {ai.isotope} => {ai.daughter} ({ai.reaction})") @@ -509,6 +511,7 @@ def init(table, reload=False): """ Add neutron activation levels to each isotope. """ + from math import floor if 'neutron_activation' in table.properties and not reload: return table.properties.append('neutron_activation') @@ -519,13 +522,19 @@ def init(table, reload=False): if hasattr(el[iso], 'neutron_activation'): del el[iso].neutron_activation + # We are keeping the table as a simple export of the activation data + # from the ncnr health physics excel spreadsheet so that it is easier + # to validate that the table contains the same data. Unfortunately some + # of the cells involved formulas, which need to be reproduced when loading + # in order to match full double precision values. path = os.path.join(core.get_data_path('.'), 'activation.dat') for row in open(path, 'r'): + #print(row, end='') columns = row.split('\t') if columns[0].strip() in ('', 'xx'): continue columns = [c[1:-1] if c.startswith('"') else c - for c in columns] + for c in columns] #print columns for c in INT_COLUMNS: columns[c] = int(columns[c]) @@ -536,7 +545,36 @@ def init(table, reload=False): # clean up comment column columns[-1] = columns[-1].replace('"', '').strip() kw = dict(zip(COLUMN_NAMES, columns)) - kw['Thalf_str'] = " ".join((kw['_Thalf'], kw['_Thalf_unit'])) + # Recreate Thalf_hrs column using double precision. + # Note: spreadsheet is not converting half-life to hours in cell AW1462 (186-W => 188-W) + kw['Thalf_hrs'] = float(kw['_Thalf']) * UNITS_TO_HOURS[kw['_Thalf_unit']] + # Recreate Thalf_parent by fetching from the new Thalf_hrs + # e.g., =IF(OR(AR1408="2n",AR1408="b"),IF(AR1407="b",AW1406,AW1407),"") + # This requires that the parent is directly before the 'b' or 'nb' + # with its activation list already entered into the isotope. + # Note: 150-Nd has 'act' followed by two consecutive 'b' entries. + if kw['reaction'] in ('b', '2n'): + act = table[kw['Z']][kw['A']].neutron_activation + parent = act[-2] if act[-1].reaction == 'b' else act[-1] + kw['Thalf_parent'] = parent.Thalf_hrs + else: + #assert kw['Thalf_parent'] == 0 + kw['Thalf_parent'] = None + # Half-lives use My, Gy, Ty, Py + value, units = float(kw['_Thalf']), kw['_Thalf_unit'] + if units == 'y': + if value >= 1e12: + value, units = value/1e12, 'Ty' + elif value >= 1e9: + value, units = value/1e9, 'Gy' + elif value >= 200e3: # above 200,000 years use My + value, units = value/1e6, 'My' + elif value >= 20e3: # between 20,000 and 200,000 use ky + value, units = value/1e3, 'ky' + formatted = f"{value:g} {units}" + #if formatted.replace(' ', '') != kw['Thalf_str'].replace(' ', ''): + # print(f"{kw['_index']}: old {kw['Thalf_str']} != {formatted} new") + kw['Thalf_str'] = formatted # Strip columns whose names start with underscore kw = dict((k, v) for k, v in kw.items() if not k.startswith('_')) From 9efb34687f6ed9e594647da3b5df963c86755c6d Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 1 Mar 2024 19:30:27 -0500 Subject: [PATCH 24/76] use with context for loading activation.dat --- periodictable/activation.py | 125 ++++++++++++++++++------------------ 1 file changed, 63 insertions(+), 62 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index b0cd648..36cf83d 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -528,68 +528,69 @@ def init(table, reload=False): # of the cells involved formulas, which need to be reproduced when loading # in order to match full double precision values. path = os.path.join(core.get_data_path('.'), 'activation.dat') - for row in open(path, 'r'): - #print(row, end='') - columns = row.split('\t') - if columns[0].strip() in ('', 'xx'): - continue - columns = [c[1:-1] if c.startswith('"') else c - for c in columns] - #print columns - for c in INT_COLUMNS: - columns[c] = int(columns[c]) - for c in BOOL_COLUMNS: - columns[c] = (columns[c] == 'y') - for c in FLOAT_COLUMNS: - columns[c] = float(columns[c]) if columns[c].strip() else 0. - # clean up comment column - columns[-1] = columns[-1].replace('"', '').strip() - kw = dict(zip(COLUMN_NAMES, columns)) - # Recreate Thalf_hrs column using double precision. - # Note: spreadsheet is not converting half-life to hours in cell AW1462 (186-W => 188-W) - kw['Thalf_hrs'] = float(kw['_Thalf']) * UNITS_TO_HOURS[kw['_Thalf_unit']] - # Recreate Thalf_parent by fetching from the new Thalf_hrs - # e.g., =IF(OR(AR1408="2n",AR1408="b"),IF(AR1407="b",AW1406,AW1407),"") - # This requires that the parent is directly before the 'b' or 'nb' - # with its activation list already entered into the isotope. - # Note: 150-Nd has 'act' followed by two consecutive 'b' entries. - if kw['reaction'] in ('b', '2n'): - act = table[kw['Z']][kw['A']].neutron_activation - parent = act[-2] if act[-1].reaction == 'b' else act[-1] - kw['Thalf_parent'] = parent.Thalf_hrs - else: - #assert kw['Thalf_parent'] == 0 - kw['Thalf_parent'] = None - # Half-lives use My, Gy, Ty, Py - value, units = float(kw['_Thalf']), kw['_Thalf_unit'] - if units == 'y': - if value >= 1e12: - value, units = value/1e12, 'Ty' - elif value >= 1e9: - value, units = value/1e9, 'Gy' - elif value >= 200e3: # above 200,000 years use My - value, units = value/1e6, 'My' - elif value >= 20e3: # between 20,000 and 200,000 use ky - value, units = value/1e3, 'ky' - formatted = f"{value:g} {units}" - #if formatted.replace(' ', '') != kw['Thalf_str'].replace(' ', ''): - # print(f"{kw['_index']}: old {kw['Thalf_str']} != {formatted} new") - kw['Thalf_str'] = formatted - - # Strip columns whose names start with underscore - kw = dict((k, v) for k, v in kw.items() if not k.startswith('_')) - - # Create an Activation record and add it to the isotope - iso = table[kw['Z']][kw['A']] - activation = getattr(iso, 'neutron_activation', []) - activation.append(ActivationResult(**kw)) - iso.neutron_activation = activation - - # Check abundance values - #if abs(iso.abundance - kw['abundance']) > 0.001*kw['abundance']: - # percent = 100*abs(iso.abundance - kw['abundance'])/kw['abundance'] - # print "Abundance of", iso, "is", iso.abundance, \ - # "but activation.dat has", kw['abundance'], "(%.1f%%)"%percent + with open(path, 'r') as fd: + for row in fd: + #print(row, end='') + columns = row.split('\t') + if columns[0].strip() in ('', 'xx'): + continue + columns = [c[1:-1] if c.startswith('"') else c + for c in columns] + #print columns + for c in INT_COLUMNS: + columns[c] = int(columns[c]) + for c in BOOL_COLUMNS: + columns[c] = (columns[c] == 'y') + for c in FLOAT_COLUMNS: + columns[c] = float(columns[c]) if columns[c].strip() else 0. + # clean up comment column + columns[-1] = columns[-1].replace('"', '').strip() + kw = dict(zip(COLUMN_NAMES, columns)) + # Recreate Thalf_hrs column using double precision. + # Note: spreadsheet is not converting half-life to hours in cell AW1462 (186-W => 188-W) + kw['Thalf_hrs'] = float(kw['_Thalf']) * UNITS_TO_HOURS[kw['_Thalf_unit']] + # Recreate Thalf_parent by fetching from the new Thalf_hrs + # e.g., =IF(OR(AR1408="2n",AR1408="b"),IF(AR1407="b",AW1406,AW1407),"") + # This requires that the parent is directly before the 'b' or 'nb' + # with its activation list already entered into the isotope. + # Note: 150-Nd has 'act' followed by two consecutive 'b' entries. + if kw['reaction'] in ('b', '2n'): + act = table[kw['Z']][kw['A']].neutron_activation + parent = act[-2] if act[-1].reaction == 'b' else act[-1] + kw['Thalf_parent'] = parent.Thalf_hrs + else: + #assert kw['Thalf_parent'] == 0 + kw['Thalf_parent'] = None + # Half-lives use My, Gy, Ty, Py + value, units = float(kw['_Thalf']), kw['_Thalf_unit'] + if units == 'y': + if value >= 1e12: + value, units = value/1e12, 'Ty' + elif value >= 1e9: + value, units = value/1e9, 'Gy' + elif value >= 200e3: # above 200,000 years use My + value, units = value/1e6, 'My' + elif value >= 20e3: # between 20,000 and 200,000 use ky + value, units = value/1e3, 'ky' + formatted = f"{value:g} {units}" + #if formatted.replace(' ', '') != kw['Thalf_str'].replace(' ', ''): + # print(f"{kw['_index']}: old {kw['Thalf_str']} != {formatted} new") + kw['Thalf_str'] = formatted + + # Strip columns whose names start with underscore + kw = dict((k, v) for k, v in kw.items() if not k.startswith('_')) + + # Create an Activation record and add it to the isotope + iso = table[kw['Z']][kw['A']] + activation = getattr(iso, 'neutron_activation', []) + activation.append(ActivationResult(**kw)) + iso.neutron_activation = activation + + # Check abundance values + #if abs(iso.abundance - kw['abundance']) > 0.001*kw['abundance']: + # percent = 100*abs(iso.abundance - kw['abundance'])/kw['abundance'] + # print "Abundance of", iso, "is", iso.abundance, \ + # "but activation.dat has", kw['abundance'], "(%.1f%%)"%percent class ActivationResult(object): def __init__(self, **kw): From a6668ca0935e7a0075ed8e0114a26e0f59583672 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 8 Mar 2024 15:29:08 -0500 Subject: [PATCH 25/76] Fix table data: Ho-163 halflife, Tm-171 halflife, W-188 halflife hrs, Au-197 target --- periodictable/activation.dat | 8 ++++---- 1 file changed, 4 insertions(+), 4 deletions(-) diff --git a/periodictable/activation.dat b/periodictable/activation.dat index 9fab64a..c079c30 100644 --- a/periodictable/activation.dat +++ b/periodictable/activation.dat @@ -481,7 +481,7 @@ Dy 417 66 Dy 164 Dy-164 28.18 Dy-166 81.6 h 2n n 1000 81.6 81.60 h 2.35 3900 Ho 418 67 Ho 165 Ho-165 100 Ho-166m 1200 y m 0 act n 3.5 55 10512000 1200 y Ho 419 67 Ho 165 Ho-165 100 Ho-166 27.2 h g act n 61.2 660 27.2 27.2 h Er 420 68 Er 162 Er-162 0.136 Er-163t 75.1 m t act n 19 480 1.251666667 75.1 m -Er 421 68 Er 162 Er-162 0.136 Ho-163 10 y b n 19 480 87600 10 y 1.251666667 +Er 421 68 Er 162 Er-162 0.136 Ho-163 4570 y b n 19 480 40033200 4570 y 1.251666667 Er 422 68 Er 164 Er-164 1.56 Er-165 10.34 h act n 13 120 10.34 10.34 h Er 423 68 Er 166 Er-166 33.41 Er-167m 2.35 s m 100 act n 15 0.000652778 2.35 s Er 424 68 Er 168 Er-168 27.07 Er-169 9.6 d act n 1.95 35 230.4 9.60 d @@ -489,7 +489,7 @@ Er 425 68 Er 170 Er-170 14.88 Er-171t 7.52 h t act n 5.7 24 7.52 7.52 h 280 Er 426 68 Er 170 Er-170 14.88 Tm-171 1.92 y b n 5.7 24 16819.2 1.92 y 7.52 4.5 118 burnup not calculated. Er 427 68 Er 170 Er-170 14.88 Er-172* 49.3 h 2n n 5.7 24 49.3 49.30 h 7.52 280 Tm 428 69 Tm 169 Tm-169 100 Tm-170 130 d g act n 103 1710 3120 130 d 92 460 "assigned m+g s, m is 4us" -Tm 429 69 Tm 169 Tm-169 100 Tm-171 63.6 h 2n n 103 1710 63.6 64 h 3120 92 460 +Tm 429 69 Tm 169 Tm-169 100 Tm-171 1.92 y 2n n 103 1710 16819.2 1.92 y 3120 92 460 Yb 430 70 Yb 168 Yb-168 0.14 Yb-169m+ 46 s m+ 100 act n 3470 30500 0.012777778 46.0 s assigned m+g barns to both states Yb 431 70 Yb 168 Yb-168 0.14 Yb-169 31.8 d g act n 3470 30500 763.2 31.8 d assigned m+g barns to both states Yb 432 70 Yb 174 Yb-174 31.84 Yb-175m+ 0.067 s m+ 100 act n 46 1.86111E-05 0.067 s @@ -523,7 +523,7 @@ W 459 74 W 184 W-184 30.6 Hf-181 42.5 d "n,a" y 0.0000002 1020 42.5 d 40 " W 460 74 W 184 W-184 30.6 Hf-182s 9000000 y 2n n 0.0000002 78840000000 9.00My 1020 40 produced via Hf-181 W 461 74 W 186 W-186 28.4 W-185 75 d "n,2n" y 0.01 1800 75.0 d "IAEA156, fission averaged" W 462 74 W 186 W-186 28.4 W-187 23.9 h act n 37 490 23.9 23.9 h 64 2670 -W 463 74 W 186 W-186 28.4 W-188 69.4 d 2n n 37 490 69.4 69.4 d 23.9 64 2670 +W 463 74 W 186 W-186 28.4 W-188 69.4 d 2n n 37 490 1665.6 69.4 d 23.9 64 2670 Re 464 75 Re 185 Re-185 37.07 Re-184ms 165 d "n,2n" y 0.00062 3960 165.0 d "IAEA156, fission averaged" Re 465 75 Re 185 Re-185 37.07 Re-184 38 d "n,2n" y 0.0046 912 38.0 d "IAEA156, fission averaged" Re 466 75 Re 185 Re-185 37.07 Re-186 88.9 h act n 112 1718 88.9 88.9 h @@ -556,7 +556,7 @@ Pt 492 78 Pt 198 Pt-198 7.19 Pt-200s 12.6 h 2n n 3.7 55.6 12.6 12.6 h 0.51666 Au 493 79 Au 197 Au-197 100 Au-196 6.18 d "n,2n" y 0.003 148.32 6.18 d "IAEA156, fission averaged" Au 494 79 Au 197 Au-197 100 Au-197m 7.8 s "n,n'" y 0.38 0.002166667 7.8 s "IAEA156, fission averaged" Au 495 79 Au 197 Au-197 100 Au-198 2.7 d act n 98.8 1.0038 1551 64.8 2.70 d 26736 41420 -Au 496 79 Au 198 Au-198 100 Au-199 3.15 d 2n n 98.8 75.6 3.15 d 64.8 26736 41420 *** produced from a radioactive parent +Au 496 79 Au 197 Au-197 100 Au-199 3.15 d 2n n 98.8 75.6 3.15 d 64.8 26736 41420 *** produced from a radioactive parent Hg 497 80 Hg 196 Hg-196 0.146 Hg-197m* 24 h m* 93.5 act n 120 58.9 24 24.0 h Hg 498 80 Hg 196 Hg-196 0.146 Hg-197 65 h g act n 3080 413 65 65.0 h Hg 499 80 Hg 198 Hg-198 10.02 Hg-199m 43 m m 100 act n 0.018 1.8 0.716666667 43.0 m From e285c9469fcec06be9d5c15243cb80be510cf033 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 8 Mar 2024 17:10:46 -0500 Subject: [PATCH 26/76] Document differences from nist activation spreadsheet; tweak loader; use better Bq to uCi conversion --- periodictable/activation.py | 128 ++++++++++++++++++++++++++++-------- 1 file changed, 100 insertions(+), 28 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index 36cf83d..f8a8c03 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -38,14 +38,14 @@ >>> sample = activation.Sample("Co30Fe70", 10) >>> sample.calculate_activation(env, exposure=10, rest_times=[0, 1, 24, 360]) >>> sample.show_table() - ----------------- activity (uCi) ------------------ - isotope product reaction half-life 0 hrs 1 hrs 24 hrs 360 hrs - -------- -------- -------- ---------- ------------ ------------ ------------ ------------ - Co-59 Co-60 act 5.272 y 0.000496 0.000496 0.0004958 0.0004933 - Co-59 Co-60m+ act 10.5 m 1.664 0.0317 --- --- - -------- -------- -------- ---------- ------------ ------------ ------------ ------------ - total 1.665 0.03221 0.0005084 0.000505 - -------- -------- -------- ---------- ------------ ------------ ------------ ------------ + ----------------- activity (uCi) ------------------ + isotope product reaction half-life 0 hrs 1 hrs 24 hrs 360 hrs + -------- --------- -------- ---------- ------------ ------------ ------------ ------------ + Co-59 Co-60 act 5.272 y 0.0004959 0.0004959 0.0004958 0.0004933 + Co-59 Co-60m+ act 10.5 m 1.664 0.03169 --- --- + -------- --------- -------- ---------- ------------ ------------ ------------ ------------ + total 1.664 0.0322 0.0005084 0.0005049 + -------- --------- -------- ---------- ------------ ------------ ------------ ------------ >>> print("%.3f"%sample.decay_time(0.001)) # number of hours to reach 1 nCi 2.053 @@ -214,7 +214,7 @@ def _accumulate(self, activity): el_total = self.activity.get(el, [0]*len(self.rest_times)) self.activity[el] = [T+v for T, v in zip(el_total, activity_el)] - def show_table(self, cutoff=0.0001, format="%.6e"): + def show_table(self, cutoff=0.0001, format="%.4g"): """ Tabulate the daughter products. @@ -370,8 +370,54 @@ def epithermal_reduction_factor(self): def activity(isotope, mass, env, exposure, rest_times): """ - Compute isotope specific daughter products after the given exposure time and rest period. + Compute isotope specific daughter products after the given exposure time and + rest period. + + Activations are listed in *isotope.neutron_activation*. Most of the + activations (n,g n,p n,a n,2n) define a single step process, where a neutron + is absorbed yielding the daughter and some prompt radiation. The daughter + itself will decay during exposure, yielding a balance between production and + emission. Any exposure beyound about eight halflives will not increase + activity for that product. + + Activity for daughter products may undergo further neutron capture, reducing + the activity of the daughter product but introducing a grand daughter with + its own activity. + + The data tables for activation are only precise to about three significant + figures. Any changes to the calculations below this threshold, e.g., due to + slightly different mass or abundance, are therefore of little concern. + + Differences in formulas compare to the NCNR activation spreadsheet: + + * Column M: Use ln(2) rather than 0.693 + * Column N: Use ln(2) rather than 0.693 + * Column O: Rewrite to use expm1(x) = exp(x) - 1:: + = L (1 - exp(-M Y43)/(1-(M/N) ) + exp(-N Y43)/((N/M)-1) ) + = L (1 - N exp(-M Y43)/(N-M) + M exp(-N Y43)/(N-M) ) + = L/(N-M) ( (N-M) - N exp(-M Y43) + M exp(-N Y43) ) + = L/(N-M) ( N(1 - exp(-M Y43)) + M (exp(-N Y43) - 1) ) + = L/(N-M) ( -N expm1(-M Y43) + M expm1(-N) ) + = L/(N-M) (M expm1(-N Y43) - N expm1(-M Y43)) + * Column X: Rewrite to use expm1(x) = exp(x) - 1:: + = W ((|U|<1e-10 and |V|<1e-10) ? (V-U + (V-U)(V+U)/2) : (exp(-U)-exp(-V))) + = W (exp(-U) - exp(-V)) + = W exp(-V) (exp(V-U) - 1) = W exp(-U) (1 - exp(U-V)) + = W exp(-V) expm1(V-U) = -W exp(-U) expm1(U-V) + = (U > V) ? (W exp(-V) expm1(V-U)) : (-W exp(-U) expm1(U-V)) + + Differences in the data tables: + + * AW1462 (W-186 => W-188 2n) t1/2 in hrs is not converting days to hours + * AK1495 (Au-198 => Au-199 2n) target should be Au-197 + * AN1428 (Tm-169 => Tm-171 2n) t1/2 updated to Tm-171 rather than Tm-172 + * AN1420 (Er-162 => Ho-163 b) t1/2 updated to 4570 y from 10 y """ + # TODO: is the table missing 1-H => 3-H ? + # 0nly activations which produce radioactive daughter products are + # included. Because 1-H => 2-H (act) is not in the table, is this why + # there is no entry for 1-H => 3-H (2n). + result = {} if not hasattr(isotope, 'neutron_activation'): return result @@ -389,17 +435,24 @@ def activity(isotope, mass, env, exposure, rest_times): # Column G: Half-life # ai.Thalf_str # Column H: initial effective cross-section (b) + # env.epithermal_reduction_factor:$Q$1 = 1/env.Cd_ratio:$F$15 initialXS = ai.thermalXS + env.epithermal_reduction_factor*ai.resonance # Column I: reaction # ai.reaction # Column J: fast? # ai.fast # Column K: effective reaction flux (n/cm^2/s) + # env.fluence:$F$13 env.fast_ratio:$F$17 flux = env.fluence/env.fast_ratio if ai.fast else env.fluence # Column L: root part of activation calculation - # Decay correction portion done in column M - # The given mass is sample mass * sample fraction * isotope abundance - root = flux * initialXS * 1e-24 * mass / isotope.isotope * 1.6278e19 + # mass:$F$19 + # Decay correction portion done in column M + # The given mass is sample mass * sample fraction * isotope abundance + # The constant converts from Bq to uCi via avogadro's number with + # N_A[atoms] / 3.7e10[Bq/Ci] * 1e6 [uCi/Ci] ~ 1.627605611e19 + Bq_to_uCi = 1.6276e19 + #Bq_to_uCi = constants.avogadro_number / 3.7e4 + root = flux * initialXS * 1e-24 * mass / isotope.isotope * Bq_to_uCi # Column M: 0.69/t1/2 (1/h) lambda of produced nuclide lam = LN2/ai.Thalf_hrs #print(ai.thermalXS, ai.resonance, env.epithermal_reduction_factor) @@ -461,6 +514,7 @@ def activity(isotope, mass, env, exposure, rest_times): # reactions (excluding 'b') is included here. # See README file for details. + # Column P: effective cross-section 2n product and n, g burnup (b) # Note: This cross-section always uses the total thermal flux effectiveXS = ai.thermalXS_parent + env.epithermal_reduction_factor*ai.resonance_parent # Column U: nv1s1t @@ -512,21 +566,24 @@ def init(table, reload=False): Add neutron activation levels to each isotope. """ from math import floor - if 'neutron_activation' in table.properties and not reload: + # TODO: importlib.reload does not work for iso.neutron_activation attribute + if 'neutron_activation' not in table.properties: + table.properties.append('neutron_activation') + elif not reload: return - table.properties.append('neutron_activation') - - # Clear the existing activation table - for el in table: - for iso in el.isotopes: - if hasattr(el[iso], 'neutron_activation'): - del el[iso].neutron_activation + else: + # Reloading activation table so clear the existing data. + for el in table: + for iso in el.isotopes: + if hasattr(el[iso], 'neutron_activation'): + del el[iso].neutron_activation # We are keeping the table as a simple export of the activation data # from the ncnr health physics excel spreadsheet so that it is easier # to validate that the table contains the same data. Unfortunately some # of the cells involved formulas, which need to be reproduced when loading # in order to match full double precision values. + activations = {} path = os.path.join(core.get_data_path('.'), 'activation.dat') with open(path, 'r') as fd: for row in fd: @@ -542,20 +599,35 @@ def init(table, reload=False): for c in BOOL_COLUMNS: columns[c] = (columns[c] == 'y') for c in FLOAT_COLUMNS: - columns[c] = float(columns[c]) if columns[c].strip() else 0. + s = columns[c].strip() + columns[c] = float(s) if s else 0. # clean up comment column columns[-1] = columns[-1].replace('"', '').strip() kw = dict(zip(COLUMN_NAMES, columns)) + iso = (kw['Z'], kw['A']) + act = activations.setdefault(iso, []) + + # TODO: use NuBase2020 for halflife + # NuBase2020 uses different isomer labels. + # Strip the (+, *, s, t) tags + # Convert m1/m2 to m/n for + # In-114 In-116 Sb-124 Eu-152 Hf-179 Ir-192 + # Convert Eu-152m2 to Eu-152r + # Convert m to n for + # Sc-46m Ge-73m Kr-83m Pd-107m Pd-109m Ag-110m Ta-182m Ir-194m Pb-204m + # Convert m to p for + # Sb-122m Lu-177m + # Recreate Thalf_hrs column using double precision. # Note: spreadsheet is not converting half-life to hours in cell AW1462 (186-W => 188-W) kw['Thalf_hrs'] = float(kw['_Thalf']) * UNITS_TO_HOURS[kw['_Thalf_unit']] + #print(f"T1/2 {kw['Thalf_hrs']} +/- {kw['Thalf_hrs_unc']}") # Recreate Thalf_parent by fetching from the new Thalf_hrs # e.g., =IF(OR(AR1408="2n",AR1408="b"),IF(AR1407="b",AW1406,AW1407),"") # This requires that the parent is directly before the 'b' or 'nb' # with its activation list already entered into the isotope. # Note: 150-Nd has 'act' followed by two consecutive 'b' entries. if kw['reaction'] in ('b', '2n'): - act = table[kw['Z']][kw['A']].neutron_activation parent = act[-2] if act[-1].reaction == 'b' else act[-1] kw['Thalf_parent'] = parent.Thalf_hrs else: @@ -581,10 +653,7 @@ def init(table, reload=False): kw = dict((k, v) for k, v in kw.items() if not k.startswith('_')) # Create an Activation record and add it to the isotope - iso = table[kw['Z']][kw['A']] - activation = getattr(iso, 'neutron_activation', []) - activation.append(ActivationResult(**kw)) - iso.neutron_activation = activation + act.append(ActivationResult(**kw)) # Check abundance values #if abs(iso.abundance - kw['abundance']) > 0.001*kw['abundance']: @@ -592,6 +661,10 @@ def init(table, reload=False): # print "Abundance of", iso, "is", iso.abundance, \ # "but activation.dat has", kw['abundance'], "(%.1f%%)"%percent + # Plug the activation products into the table + for (Z, A), daughters in activations.items(): + table[Z][A].neutron_activation = tuple(daughters) + class ActivationResult(object): def __init__(self, **kw): self.__dict__ = kw @@ -655,7 +728,6 @@ def demo(): # pragma: nocover import argparse import periodictable as pt - # From chatGPT parser = argparse.ArgumentParser(description='Process some data with mass, flux, exposure, and decay options.') parser.add_argument('-m', '--mass', type=float, default=1, help='Specify the mass value (default: 1)') parser.add_argument('-f', '--flux', type=float, default=1e8, help='Specify the flux value (default: 1e8)') From 621da3b0c90db8134d29653a8c270307d5a32f90 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 8 Mar 2024 17:48:44 -0500 Subject: [PATCH 27/76] Remove numerical precision validation code; it was only needed for algorithm development. --- periodictable/activation.py | 70 +------------------------------------ 1 file changed, 1 insertion(+), 69 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index f8a8c03..d4ff970 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -524,28 +524,12 @@ def activity(isotope, mass, env, exposure, rest_times): # Column W: L/(L-nvs1+nvs2) W = lam/(lam-flux*initialXS*3600*1e-24+env.fluence*effectiveXS*3600*1e-24) # Column X: W*(exp(-U)-exp(V)) if U,V > 1e-10 else W*(V-U+(V-U)*(V+U)/2) - # [PAK 2024-02-28] Rewrite the precision correction using the - # high accuracy expm1() function to avoid cancellation. - # See _check_exp_diff() below for verification. + # [PAK 2024-02-28] Rewrite the exponential difference using expm1() X = W*exp(-V)*expm1(V-U) if U>V else -W*exp(-U)*expm1(U-V) # Column Y: O if "b" else T if "2n" else L*X activity = root*X #print(f"{ai.isotope}=>{ai.daughter} {U=} {V=} {W=} {X=} {activity=}") - # Check the effects of changing the formula. To look at all elements - # at once, enable the following and use: - # $ python -m periodictable.activation -m 1000 -f 1e8 -e 1000 - if 0: - if abs(U) < 1e-10 and abs(V) < 1e-10: - X = W * (V-U+(V+U)/2) - trigger = '*' - else: - X = exp(-U) - exp(-V) - trigger = '' - delta = activity - root*X - if activity > 0 and delta/activity > 1e-4: - print(f"{trigger}activity change {delta:10.4e} from {activity:10.4e} ({100*delta/activity:.2f}%) for {ai.isotope} => {ai.daughter} ({ai.reaction})") - if activity < 0: msg = "activity %g less than zero for %g"%(activity, isotope) raise RuntimeError(msg) @@ -672,57 +656,6 @@ def __str__(self): return str(self.__dict__) -def _check_exp_diff(p, delta): - """ - Compare methods for computing exp(-U) - exp(-V). - - The output shows error relative as log10(|(f - m)/m|) where - m is computed with 500 bits of precision: - - * Δexp uses exp(-V) - exp(-U) - * Δexpm1 uses exp(-V)*expm1(V-U) - * Δtaylor uses (V-U) + (U**2-V**2)/2 = (V-U)*(1-(V+U)/2) - * Δoriginal uses (V-U) + (V+U)/2 - - Call with (p, δ) such that U = 10**p, V = 10**p + 10**(p-δ). That is, - *p* gives the order of magnitude of the function and *delta* gives the - relative magnitude of the difference. For example, (-3,2)=>(0.001,0.00101) - - Try with:: - - for k in range(-20,3,3): _check_exp_diff(k,8) - - The spreadsheet uses the original expression when U, V are less than 1e-10 - but the approximation is poor even in that region. - - The Δexpm1 is strictly better than the direct calculatio almost everywhere. - Where it is worse it is only slightly worse, and the calculated activity - is small. It is at least as good as the Taylor approximation everywhere. - - The expm1 form gives us at least 0.1% precision relative to the high - accuracy calculation. This occurs when U,V differ in the final digit - of a double precision number. When U,V differ in the 10th digit we - get 6-7 digits of precision. If they differ in the 3rd digit we get the - full precision for floating point double values. The precision is roughly - constant across the domain. - """ - import mpmath as mp - import math - with mp.workprec(500): - mp_x, mp_y = mp.mpf(10)**p, mp.mpf(10)**p + mp.mpf(10)**(p-delta) - mp_diff = mp.exp(-mp_x) - mp.exp(-mp_y) - #print(f"{mp_x} {mp_y} {mp_diff}") - math_x, math_y = 10**p, 10**p + 10**(p-delta) - #print(f"{math_y}-{math_x}={math_y - math_x}") - math_diff = math.exp(-math_x) - math.exp(-math_y) - math_alt = math.exp(-math_y)*math.expm1(math_y-math_x) - math_orig = math_y-math_x + (math_y+math_x)/2 - math_tay = math_y-math_x + (math_x**2-math_y**2)/2 - math_tay = (math_y-math_x)*(1 - (math_x+math_y)/2) - def err(v): return f"{math.log10(float(abs((v-mp_diff)/mp_diff))):4.1f}" - #print(f"mp:{mp_diff} direct:{math_diff} alt:{math_alt} taylor:{math_tay}") - print(f"U:1e{p:<3d} mp: {mp.nstr(mp_diff,10):15s} Δexp: {err(math_diff)} Δexpm1: {err(math_alt)} Δtaylor: {err(math_tay)} Δoriginal: {err(math_orig)}") - def demo(): # pragma: nocover import sys import argparse @@ -776,5 +709,4 @@ def demo(): # pragma: nocover # abundance=IAEA1987_isotopic_abundance) if __name__ == "__main__": - #for k in range(-20,3,3): _check_exp_diff(k,10) demo() # pragma: nocover From 8118463440fc22871cc15799217fd11b10fdbeb8 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 8 Mar 2024 18:01:32 -0500 Subject: [PATCH 28/76] R1.7.0 with release notes --- README.rst | 17 +++++++++++++++++ periodictable/__init__.py | 2 +- 2 files changed, 18 insertions(+), 1 deletion(-) diff --git a/README.rst b/README.rst index d7f699c..690d00c 100644 --- a/README.rst +++ b/README.rst @@ -73,6 +73,23 @@ Known issues Change history ============== +1.7.0 2024-03-11 +---------------- + +Modified: + +* Use wt% and vol% for mixtures. The non-standard %wt and %vol are still + supported, but may be removed in a future version if they cause ambiguity + in the parser. +* Support mixtures containing FASTA components such as dna:CGCTAATC +* Improve FASTA calculations by adding H+OH to sequences and removing Na from + the DNA/RNA residues. Use a different reference for residue volumes. +* Use correct halflife for Tm-171, Ho-163 and W-188 activation products. +* Support unicode subscripts in chemical formula inputs. +* Fix decay time estimation routine. +* Tested on Python 3.8 and above. Support for python 2.7 dropped. +* Remove eval() from codebase. + 1.6.1 2022-05-18 ---------------- diff --git a/periodictable/__init__.py b/periodictable/__init__.py index a14dbd3..fe98650 100644 --- a/periodictable/__init__.py +++ b/periodictable/__init__.py @@ -28,7 +28,7 @@ __docformat__ = 'restructuredtext en' __all__ = ['elements', 'neutron_sld', 'xray_sld', 'formula', 'mix_by_weight', 'mix_by_volume'] # and all elements -__version__ = "1.6.1" +__version__ = "1.7.0" from . import core from . import mass From cba62ff2333c205ae694003e147fe8d97399fc70 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 8 Mar 2024 18:18:30 -0500 Subject: [PATCH 29/76] tweak release notes --- README.rst | 5 +++-- 1 file changed, 3 insertions(+), 2 deletions(-) diff --git a/README.rst b/README.rst index 690d00c..be0c96a 100644 --- a/README.rst +++ b/README.rst @@ -82,8 +82,9 @@ Modified: supported, but may be removed in a future version if they cause ambiguity in the parser. * Support mixtures containing FASTA components such as dna:CGCTAATC -* Improve FASTA calculations by adding H+OH to sequences and removing Na from - the DNA/RNA residues. Use a different reference for residue volumes. +* Fasta calculations for formula, density and sld have changed. DNA/RNA now + use Buckin (1989) for unit volumes. DNA/RNA no longer include sodium ions + from tables in Perkins (1988). Sequences now include H+ and OH- terminators. * Use correct halflife for Tm-171, Ho-163 and W-188 activation products. * Support unicode subscripts in chemical formula inputs. * Fix decay time estimation routine. From 6eed0bf3cacf5287aeb7b62f2a121be43111830b Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 8 Mar 2024 18:19:03 -0500 Subject: [PATCH 30/76] Smoke tests for activation calculations --- test/test_activation.py | 88 +++++++++++++++++++++++++++++++++++++++++ 1 file changed, 88 insertions(+) create mode 100644 test/test_activation.py diff --git a/test/test_activation.py b/test/test_activation.py new file mode 100644 index 0000000..69009c3 --- /dev/null +++ b/test/test_activation.py @@ -0,0 +1,88 @@ +import numpy as np + +import periodictable as pt +from periodictable.activation import Sample, ActivationEnvironment +from periodictable.activation import IAEA1987_isotopic_abundance +from periodictable.activation import NIST2001_isotopic_abundance + +def test(): + # This is not a very complete test of the activation calculator. + # Mostly just a smoke test to see that things run and produce the + # same answers as before. The target values have been checked + # against the NCNR internal activation calculator spreadsheet. The + # values herein differ slightly from the spreadsheet since we are using + # different tables for materials and different precision on our + # constants. There has also been some small corrections to the + # formulas over time. + + def _get_Au_activity(fluence=1e5): + sample = Sample('Au', mass=1) + env = ActivationEnvironment(fluence=fluence) + sample.calculate_activation(env, rest_times=[0]) + for product, activity in sample.activity.items(): + if str(product.daughter) == 'Au-198': + return activity[0] + else: + raise RuntimeError("missing activity from Au-198") + + # Activity scales linearly with fluence and mass + act1 = _get_Au_activity(fluence=1e5) + act2 = _get_Au_activity(fluence=1e8) + #print(f"Au: {act1} x 1000 = {act2}") + assert (act2 - 1000*act1) < 1e-8 + + # Smoke test: does every element run to completion? + formula = "".join(str(el) for el in pt.elements)[1:] + # Use an enormous mass to force significant activation of rare isotopes + mass, fluence, exposure = 1e15, 1e8, 10 + env = ActivationEnvironment(fluence=fluence, Cd_ratio=70, fast_ratio=50, location="BT-2") + sample = Sample(formula, mass=mass) + sample.calculate_activation( + env, exposure=exposure, rest_times=(0, 1, 24, 360), + abundance=IAEA1987_isotopic_abundance, + #abundance=NIST2001_isotopic_abundance, + ) + + # TODO: Why aren't we matching the spreadsheet results? + results = { + # The following were labelled as spreadsheet results + #"Co-60m+": [5186.888, 98.878, 2.751e-38], + #"Co-61": [2.689e-8, 1.767e-8, 1.127e-12], + #"Co-60": [1.550322, 1.550299, 1.549764], + #"Co-61": [5.695e-8, 3.741e-8, 2.386e-12], + # Values as of R1.7.0 + "Co-60m+": [5088.093018977685, 96.91335724994167, 2.6450954672880745e-38], + "Co-61": [7.309565456941425e-09, 4.802298351964856e-09, 3.0568451604601675e-13], + "Co-60": [0.15507562804846606, 0.15507330056693813, 0.15501977813208836], + "Co-61": [1.3649499351603886e-09, 8.967560195949139e-10, 5.708192406435261e-14], + } + + sample = Sample('Co', mass=10) + env = ActivationEnvironment(fluence=1e8) + sample.calculate_activation( + env, rest_times=[0, 1, 24], + abundance=IAEA1987_isotopic_abundance, + #abundance=NIST2001_isotopic_abundance, + ) + print(sample.activity) + for product, activity in sample.activity.items(): + print(f' "{product.daughter}": {activity},') + assert product.daughter in results, f"Missing {product.daughter}" + print(results[product.daughter]) + print(activity) + #assert np.allclose(results[product.daughter], activity, atol=0, rtol=1e-12) + + + # 129-I has a long half-life (16 My) so any combination of exposure + # fluence and mass that causes significant activation will yield a product + # that is radioactive for a very long time. + sample = Sample('Te', mass=1e13) + env = ActivationEnvironment(fluence=1e8) + sample.calculate_activation(env, rest_times=[0]) + target = 1e-5 + decay = sample.decay_time(target) + sample.calculate_activation(env, rest_times=[0, decay]) + total = sum(v[-1] for v in sample.activity.values()) + assert abs(total - target)/target < 1e-6, f"total activity {total} != {target}" + +test() From e5daeff00625ce0c3953e5672e8554ad678ad4fe Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 22 Mar 2024 17:07:09 -0400 Subject: [PATCH 31/76] fix isotope rendering for formulas.pretty() --- README.rst | 2 +- periodictable/formulas.py | 33 ++++++++++++++++++++------------- 2 files changed, 21 insertions(+), 14 deletions(-) diff --git a/README.rst b/README.rst index be0c96a..2bbfae2 100644 --- a/README.rst +++ b/README.rst @@ -86,7 +86,7 @@ Modified: use Buckin (1989) for unit volumes. DNA/RNA no longer include sodium ions from tables in Perkins (1988). Sequences now include H+ and OH- terminators. * Use correct halflife for Tm-171, Ho-163 and W-188 activation products. -* Support unicode subscripts in chemical formula inputs. +* Support unicode subscripts in chemical formula input. * Fix decay time estimation routine. * Tested on Python 3.8 and above. Support for python 2.7 dropped. * Remove eval() from codebase. diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 66e73a5..8d92fa8 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -1018,6 +1018,17 @@ def _convert_to_hill_notation(atoms): #return [(atoms[el], el) for el in sorted(atoms.keys(), cmp=_hill_compare)] return [(atoms[el], el) for el in sorted(atoms.keys(), key=_hill_key)] +def _str_one_atom(fragment): + # Normal isotope string form is #-Yy, but we want Yy[#] + if isisotope(fragment) and 'symbol' not in fragment.__dict__: + ret = "%s[%d]"%(fragment.symbol, fragment.isotope) + else: + ret = fragment.symbol + if fragment.charge != 0: + sign = '+' if fragment.charge > 0 else '-' + value = str(abs(fragment.charge)) if abs(fragment.charge) > 1 else '' + ret += '{'+value+sign+'}' + return ret def _str_atoms(seq): """ @@ -1027,15 +1038,7 @@ def _str_atoms(seq): ret = "" for count, fragment in seq: if isatom(fragment): - # Normal isotope string form is #-Yy, but we want Yy[#] - if isisotope(fragment) and 'symbol' not in fragment.__dict__: - ret += "%s[%d]"%(fragment.symbol, fragment.isotope) - else: - ret += fragment.symbol - if fragment.charge != 0: - sign = '+' if fragment.charge > 0 else '-' - value = str(abs(fragment.charge)) if abs(fragment.charge) > 1 else '' - ret += '{'+value+sign+'}' + ret += _str_one_atom(fragment) if count != 1: ret += "%g"%count else: @@ -1108,7 +1111,7 @@ def unicode_superscript(value): } return ''.join(superscript_codepoints.get(char, char) for char in str(value)) -SUPERSCRIPT = { +SUBSCRIPT = { # The latex renderer should work for github style markdown 'latex': lambda text: f'$_{{{text}}}$', 'html': lambda text: f'{text}', @@ -1123,7 +1126,7 @@ def pretty(compound, mode='unicode'): Use *pretty(compound.hill)* for a more compact representation. """ - return _pretty(compound.structure, SUPERSCRIPT[mode]) + return _pretty(compound.structure, SUBSCRIPT[mode]) def _pretty(structure, subscript): # TODO: if superscript is not None then render O[16] as {}^{16}O @@ -1135,9 +1138,9 @@ def _pretty(structure, subscript): else: parts.append(f'({_pretty(part, subscript)}){subscript(count)}') elif count == 1: - parts.append(f'{part}') + parts.append(f'{_str_one_atom(part)}') else: - parts.append(f'{part}{subscript(count)}') + parts.append(f'{_str_one_atom(part)}{subscript(count)}') return ''.join(parts) @@ -1148,6 +1151,10 @@ def demo(): print(f"Missing density for {pretty(compound.hill)}") else: print(f"{pretty(compound.hill)}@{compound.density:.3f} sld={compound.neutron_sld()}") + #print(pretty(compound.hill, 'latex')) + #print(pretty(compound.hill, 'html')) + #print(pretty(compound.hill, 'unicode')) + #print(pretty(compound.hill, 'plain')) if __name__ == "__main__": demo() From f653961048cefed03c700fcb69bfcebb570b4c38 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 22 Mar 2024 17:47:32 -0400 Subject: [PATCH 32/76] Fix doc build warnings --- README.rst | 4 +++- periodictable/activation.py | 2 +- periodictable/formulas.py | 2 +- 3 files changed, 5 insertions(+), 3 deletions(-) diff --git a/README.rst b/README.rst index 2bbfae2..eab005d 100644 --- a/README.rst +++ b/README.rst @@ -40,7 +40,9 @@ Source links: * https://github.com/pkienzle/periodictable * https://github.com/scattering/activation -|CI| |RTD| |DOI| +.. only:: html + + |CI| |RTD| |DOI| .. |CI| image:: https://github.com/pkienzle/periodictable/workflows/Test/badge.svg :alt: Build status diff --git a/periodictable/activation.py b/periodictable/activation.py index d4ff970..d66fd65 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -400,7 +400,7 @@ def activity(isotope, mass, env, exposure, rest_times): = L/(N-M) ( -N expm1(-M Y43) + M expm1(-N) ) = L/(N-M) (M expm1(-N Y43) - N expm1(-M Y43)) * Column X: Rewrite to use expm1(x) = exp(x) - 1:: - = W ((|U|<1e-10 and |V|<1e-10) ? (V-U + (V-U)(V+U)/2) : (exp(-U)-exp(-V))) + = W ((abs(U)<1e-10 and abs(V)<1e-10) ? (V-U + (V-U)(V+U)/2) : (exp(-U)-exp(-V))) = W (exp(-U) - exp(-V)) = W exp(-V) (exp(V-U) - 1) = W exp(-U) (1 - exp(U-V)) = W exp(-V) expm1(V-U) = -W exp(-U) expm1(U-V) diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 8d92fa8..4565e69 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -1121,7 +1121,7 @@ def unicode_superscript(value): def pretty(compound, mode='unicode'): """ Convert the formula to a string. The *mode* can be 'unicode', 'html' or - 'latex' depending on how subscripts should be rendered. If *mode*='plain' + 'latex' depending on how subscripts should be rendered. If *mode* is 'plain' then don't use subscripts for the element quantities. Use *pretty(compound.hill)* for a more compact representation. From cab8773a4bd95d30640d23956676d092fee11dbc Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 22 Mar 2024 18:49:22 -0400 Subject: [PATCH 33/76] fix setup so it only finds periodictable --- setup.py | 4 ++-- 1 file changed, 2 insertions(+), 2 deletions(-) diff --git a/setup.py b/setup.py index 02653f8..b756ecb 100755 --- a/setup.py +++ b/setup.py @@ -2,7 +2,7 @@ import sys import os -from setuptools import setup, find_packages +from setuptools import setup ROOT = os.path.join(os.path.dirname(__file__)) @@ -38,7 +38,7 @@ def readtext(path): 'Topic :: Scientific/Engineering :: Chemistry', 'Topic :: Scientific/Engineering :: Physics', ], - packages=find_packages(), + packages=['periodictable'], include_package_data=True, package_data={ # NOTE: be sure to include files in MANIFEST.in as well From 8e91a6879178ef060161add2f0dc9725210302f3 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 22 Mar 2024 19:42:55 -0400 Subject: [PATCH 34/76] split changelog from readme so we can include it in the pdf --- ChangeLog.rst | 257 +++++++++++++++++++++++++++ README.rst | 263 +--------------------------- doc/sphinx/guide/ChangeLog_link.rst | 1 + doc/sphinx/guide/README_link.rst | 5 - doc/sphinx/guide/index.rst | 2 +- 5 files changed, 260 insertions(+), 268 deletions(-) create mode 100644 ChangeLog.rst create mode 100644 doc/sphinx/guide/ChangeLog_link.rst delete mode 100644 doc/sphinx/guide/README_link.rst diff --git a/ChangeLog.rst b/ChangeLog.rst new file mode 100644 index 0000000..2e637ed --- /dev/null +++ b/ChangeLog.rst @@ -0,0 +1,257 @@ +Known issues +============ + +* Incoherent scattering computed for contrast matched mixture in D2O_sld(), + differs from the value that would be computed for a compound with the same + isotope proportions and density computed in neutron_sld(). This may change + in a future release. + +* The mass and composition tables are out of date. This package uses tables + from 1997 but IUPAC produced new tables in 2009. + +* Incoherent scattering calculations for energy-dependent rare earth elements + is underestimated. The calculation requires bound incoherent scattering + lengths (b_i) and the bound coherent lengths (b_c), but only b_c is + included. + +Change history +============== + +1.7.0 2024-03-11 +---------------- + +Modified: + +* Use wt% and vol% for mixtures. The non-standard %wt and %vol are still + supported, but may be removed in a future version if they cause ambiguity + in the parser. +* Support mixtures containing FASTA components such as dna:CGCTAATC +* Fasta calculations for formula, density and sld have changed. DNA/RNA now + use Buckin (1989) for unit volumes. DNA/RNA no longer include sodium ions + from tables in Perkins (1988). Sequences now include H+ and OH- terminators. +* Use correct halflife for Tm-171, Ho-163 and W-188 activation products. +* Support unicode subscripts in chemical formula input. +* Fix decay time estimation routine. +* Tested on Python 3.8 and above. Support for python 2.7 dropped. +* Remove eval() from codebase. + +1.6.1 2022-05-18 +---------------- + +Modified: + +* Calculate decay time correctly in the presence of significant long-lived + activation. +* Calculate b mode activation correctly for Eu[151] => Gd[152] + +1.6.0 2021-04-21 +---------------- + +New: + +* Add energy dependence for rare earths (Lynn and Seeger, 1990). + +Modified: + +* Use complex b_c when computing the coherent cross section, leading to + correct values of sigma_c and sigma_i for materials with large absorption. + With this change the tabulated values for B[10] are now shown to be + self-consistent within a few percent. + +Breaking changes: + +* Neutron scattering factors are returned with one value for each wavelength + even for energy independent elements. Previous versions returned a scalar + if the returned value was identical for each wavelength. + +1.5.3 2020-11-04 +---------------- + +Breaking changes: + +* Fix calculation of contrast match points for biomolecules. The old + formula used the density of H2O for the D2O sld calculation. +* Modify biomolecule support to use H[1] rather than T for labile hydrogen. + This will result in less error when the labile formula is used in lieu + of the natural formula or the contrast-matched formula, and make it more + obvious from glancing at the formula that labile hydrogen is present. +* Modify *fasta.Molecule* attributes, dropping *Hmass* and *Hsld*. *Hnatural* + has been moved to *natural_formula*. The formula with labile hydrogen is + stored in *labile_formula*, as well as *formula* as before. + +New: + +* Add *replace()* method to formula to allow isotope substitution. +* Add *nsf.D2O_match()* and *nsf.D2O_sld()* functions. + +Modified: + +* Neutron wavelength now defaults to 1.798 A when wavelength and energy are + both None in *neutron_sld()* and *neutron_scattering()* rather than + throwing an assertion error. +* *table* can be passed to neutron sld calculators as the source of isotope + information when parsing the chemical formula. +* Switch unit test framework from nose to pytest. +* Update docs. + +1.5.2 2019-11-19 +---------------- + +Modified: + +* Carbon density changed from 2.1 to 2.2 to match CXRO, CRC and RSC. The NIST + X-ray attenuation tables use 2.26; the Handbook of Mineralogy has 2.09-2.23. + The Neutron Data Booklet gave the value as 1.9-2.3, and 2.1 was chosen + from this range. The remaining density will continue to use values from the + Neutron Data Booklet, which cites CRC as the primary source. +* Updated references. + +1.5.1 2019-09-09 +---------------- + +Modified: + +* fasta uses natural abundance of H for biomolecule when computing the + D2O contrast match rather than the biomolecule with pure H[1]. +* remove half-life units from column header in activation table since + each row gives its own units. + +1.5.0 2017-05-11 +---------------- + +New: + +* mixture by mass and volume, e.g., 5 g NaCl // 50 mL H2O@1 +* multilayer materials, e.g., 5 um Si // 3 nm Cr // 8 nm Au +* add support for bio molecules with labile hydrogens +* update list of possible oxidation states to include rare states + +Modified: + +* fixed computation of incoherent cross section so it is consistent with + coherent cross section and total cross section + + +1.4.1 2014-02-04 +---------------- + +Modified: + +* default density is now the isotopic density rather than the natural density + +1.4.0 2013-12-20 +---------------- + +* support python 3.3 + +1.3.10 2013-10-25 +----------------- + +Modified: + +* fix activation calculation to ignore fast neutrons in thermal environment +* add emission spectra for remaining elements above neon + +1.3.9 2013-04-23 +---------------- + +Modified: + +* Update requirements to pyparsing<2.0.0 (we don't support python 3 yet) + +1.3.8 2013-04-08 +---------------- + +New: + +* formula parser supports density spec and mix by weight/mix by volume + +Modified: + +* py2exe/py2app wrapping now includes missing activation.dat +* skipping bad 1.3.7 build which didn't include all changes + +1.3.6 2013-03-05 +---------------- + +New: + +* add activation decay time to neutron activation calculator + +Modified: + +* Change neutron scattering calculations for incoherent cross section + to be the linear combination of the incoherent cross sections of the + individual atoms rather than total cross section minus the coherent + cross section. Penetration depth of the unscattered beam still uses + the total cross section plus the absorption cross section. + +1.3.5 2013-02-26 +---------------- + +New: + +* formulas now report charge and mass_fraction +* formula parser accepts ions as Yy{#+} or Yy[#]{#+} for isotopes +* support neutron activation calculations +* support xray refraction index and mirror reflectivity + +Modified: + +* update X-ray scattering tables for Zr +* adjust ion mass for number of electrons +* ions now display as Yy{#+} rather than Yy^{#+} +* fix formula.natural_density +* fix formula.hill so C,H come first +* fix element.interatomic_distance +* formula(value=...) -> formula(compound=...) + +1.3 2010-12-05 +--------------- + +New: + +* mix_by_weight and mix_by_volume formula constructors +* use natural density to set density for isotope specific formulas +* add neutron_scattering function which returns xs, sld and penetration depth + +Modified: + +* need wavelength= or energy= for xray/neutron sld +* improved docs and testing + +1.2 2010-04-28 +--------------- + +New: + +* support pickle: id(H) == id(loads(dumps(H))) +* support ions, with magnetic form factors and x-ray f0 scattering factor +* support py2exe wrappers +* allow density to be calculated from structure (bcc, fcc, hcp, cubic, diamond) +* estimate molecular volume +* support private tables with some values replaced by application + +Modified: + +* rename package periodictable +* rename table to periodictable.elements +* neutron sld returns real and imaginary coherent and incoherent + instead of coherent, absorption and incoherent +* bug fix: sld for H[2] was wrong when queried before sld for H. +* remove CrysFML ionic radius definitions + +1.1 2009-01-20 +--------------- + +Modified: + +* Restructure package, separating tests into different directory +* When defining table extensions, you should now do:: + + from elements.core import periodic_table, Element, Isotope + + rather than:: + + from elements import periodic_table + from elements.elements import Element, Isotope diff --git a/README.rst b/README.rst index eab005d..2877007 100644 --- a/README.rst +++ b/README.rst @@ -40,9 +40,7 @@ Source links: * https://github.com/pkienzle/periodictable * https://github.com/scattering/activation -.. only:: html - - |CI| |RTD| |DOI| +|CI| |RTD| |DOI| .. |CI| image:: https://github.com/pkienzle/periodictable/workflows/Test/badge.svg :alt: Build status @@ -55,262 +53,3 @@ Source links: .. |RTD| image:: https://readthedocs.org/projects/periodictable/badge/?version=latest :alt: Documentation status :target: https://periodictable.readthedocs.io/en/latest/?badge=latest - -Known issues -============ - -* Incoherent scattering computed for contrast matched mixture in D2O_sld(), - differs from the value that would be computed for a compound with the same - isotope proportions and density computed in neutron_sld(). This may change - in a future release. - -* The mass and composition tables are out of date. This package uses tables - from 1997 but IUPAC produced new tables in 2009. - -* Incoherent scattering calculations for energy-dependent rare earth elements - is underestimated. The calculation requires bound incoherent scattering - lengths (b_i) and the bound coherent lengths (b_c), but only b_c is - included. - -Change history -============== - -1.7.0 2024-03-11 ----------------- - -Modified: - -* Use wt% and vol% for mixtures. The non-standard %wt and %vol are still - supported, but may be removed in a future version if they cause ambiguity - in the parser. -* Support mixtures containing FASTA components such as dna:CGCTAATC -* Fasta calculations for formula, density and sld have changed. DNA/RNA now - use Buckin (1989) for unit volumes. DNA/RNA no longer include sodium ions - from tables in Perkins (1988). Sequences now include H+ and OH- terminators. -* Use correct halflife for Tm-171, Ho-163 and W-188 activation products. -* Support unicode subscripts in chemical formula input. -* Fix decay time estimation routine. -* Tested on Python 3.8 and above. Support for python 2.7 dropped. -* Remove eval() from codebase. - -1.6.1 2022-05-18 ----------------- - -Modified: - -* Calculate decay time correctly in the presence of significant long-lived - activation. -* Calculate b mode activation correctly for Eu[151] => Gd[152] - -1.6.0 2021-04-21 ----------------- - -New: - -* Add energy dependence for rare earths (Lynn and Seeger, 1990). - -Modified: - -* Use complex b_c when computing the coherent cross section, leading to - correct values of sigma_c and sigma_i for materials with large absorption. - With this change the tabulated values for B[10] are now shown to be - self-consistent within a few percent. - -Breaking changes: - -* Neutron scattering factors are returned with one value for each wavelength - even for energy independent elements. Previous versions returned a scalar - if the returned value was identical for each wavelength. - -1.5.3 2020-11-04 ----------------- - -Breaking changes: - -* Fix calculation of contrast match points for biomolecules. The old - formula used the density of H2O for the D2O sld calculation. -* Modify biomolecule support to use H[1] rather than T for labile hydrogen. - This will result in less error when the labile formula is used in lieu - of the natural formula or the contrast-matched formula, and make it more - obvious from glancing at the formula that labile hydrogen is present. -* Modify *fasta.Molecule* attributes, dropping *Hmass* and *Hsld*. *Hnatural* - has been moved to *natural_formula*. The formula with labile hydrogen is - stored in *labile_formula*, as well as *formula* as before. - -New: - -* Add *replace()* method to formula to allow isotope substitution. -* Add *nsf.D2O_match()* and *nsf.D2O_sld()* functions. - -Modified: - -* Neutron wavelength now defaults to 1.798 A when wavelength and energy are - both None in *neutron_sld()* and *neutron_scattering()* rather than - throwing an assertion error. -* *table* can be passed to neutron sld calculators as the source of isotope - information when parsing the chemical formula. -* Switch unit test framework from nose to pytest. -* Update docs. - -1.5.2 2019-11-19 ----------------- - -Modified: - -* Carbon density changed from 2.1 to 2.2 to match CXRO, CRC and RSC. The NIST - X-ray attenuation tables use 2.26; the Handbook of Mineralogy has 2.09-2.23. - The Neutron Data Booklet gave the value as 1.9-2.3, and 2.1 was chosen - from this range. The remaining density will continue to use values from the - Neutron Data Booklet, which cites CRC as the primary source. -* Updated references. - -1.5.1 2019-09-09 ----------------- - -Modified: - -* fasta uses natural abundance of H for biomolecule when computing the - D2O contrast match rather than the biomolecule with pure H[1]. -* remove half-life units from column header in activation table since - each row gives its own units. - -1.5.0 2017-05-11 ----------------- - -New: - -* mixture by mass and volume, e.g., 5 g NaCl // 50 mL H2O@1 -* multilayer materials, e.g., 5 um Si // 3 nm Cr // 8 nm Au -* add support for bio molecules with labile hydrogens -* update list of possible oxidation states to include rare states - -Modified: - -* fixed computation of incoherent cross section so it is consistent with - coherent cross section and total cross section - - -1.4.1 2014-02-04 ----------------- - -Modified: - -* default density is now the isotopic density rather than the natural density - -1.4.0 2013-12-20 ----------------- - -* support python 3.3 - -1.3.10 2013-10-25 ------------------ - -Modified: - -* fix activation calculation to ignore fast neutrons in thermal environment -* add emission spectra for remaining elements above neon - -1.3.9 2013-04-23 ----------------- - -Modified: - -* Update requirements to pyparsing<2.0.0 (we don't support python 3 yet) - -1.3.8 2013-04-08 ----------------- - -New: - -* formula parser supports density spec and mix by weight/mix by volume - -Modified: - -* py2exe/py2app wrapping now includes missing activation.dat -* skipping bad 1.3.7 build which didn't include all changes - -1.3.6 2013-03-05 ----------------- - -New: - -* add activation decay time to neutron activation calculator - -Modified: - -* Change neutron scattering calculations for incoherent cross section - to be the linear combination of the incoherent cross sections of the - individual atoms rather than total cross section minus the coherent - cross section. Penetration depth of the unscattered beam still uses - the total cross section plus the absorption cross section. - -1.3.5 2013-02-26 ----------------- - -New: - -* formulas now report charge and mass_fraction -* formula parser accepts ions as Yy{#+} or Yy[#]{#+} for isotopes -* support neutron activation calculations -* support xray refraction index and mirror reflectivity - -Modified: - -* update X-ray scattering tables for Zr -* adjust ion mass for number of electrons -* ions now display as Yy{#+} rather than Yy^{#+} -* fix formula.natural_density -* fix formula.hill so C,H come first -* fix element.interatomic_distance -* formula(value=...) -> formula(compound=...) - -1.3 2010-12-05 ---------------- - -New: - -* mix_by_weight and mix_by_volume formula constructors -* use natural density to set density for isotope specific formulas -* add neutron_scattering function which returns xs, sld and penetration depth - -Modified: - -* need wavelength= or energy= for xray/neutron sld -* improved docs and testing - -1.2 2010-04-28 ---------------- - -New: - -* support pickle: id(H) == id(loads(dumps(H))) -* support ions, with magnetic form factors and x-ray f0 scattering factor -* support py2exe wrappers -* allow density to be calculated from structure (bcc, fcc, hcp, cubic, diamond) -* estimate molecular volume -* support private tables with some values replaced by application - -Modified: - -* rename package periodictable -* rename table to periodictable.elements -* neutron sld returns real and imaginary coherent and incoherent - instead of coherent, absorption and incoherent -* bug fix: sld for H[2] was wrong when queried before sld for H. -* remove CrysFML ionic radius definitions - -1.1 2009-01-20 ---------------- - -Modified: - -* Restructure package, separating tests into different directory -* When defining table extensions, you should now do:: - - from elements.core import periodic_table, Element, Isotope - - rather than:: - - from elements import periodic_table - from elements.elements import Element, Isotope - diff --git a/doc/sphinx/guide/ChangeLog_link.rst b/doc/sphinx/guide/ChangeLog_link.rst new file mode 100644 index 0000000..e718331 --- /dev/null +++ b/doc/sphinx/guide/ChangeLog_link.rst @@ -0,0 +1 @@ +.. include:: ../../../ChangeLog.rst \ No newline at end of file diff --git a/doc/sphinx/guide/README_link.rst b/doc/sphinx/guide/README_link.rst deleted file mode 100644 index 27a1e1b..0000000 --- a/doc/sphinx/guide/README_link.rst +++ /dev/null @@ -1,5 +0,0 @@ -****** -README -****** - -.. include:: ../../../README.rst \ No newline at end of file diff --git a/doc/sphinx/guide/index.rst b/doc/sphinx/guide/index.rst index b756cfb..ad0059d 100644 --- a/doc/sphinx/guide/index.rst +++ b/doc/sphinx/guide/index.rst @@ -25,6 +25,6 @@ and if you want to know in detail about Periodic Table, refer to the extending.rst customizing.rst data_sources.rst + ChangeLog_link.rst contributing.rst license.rst - README_link.rst From bc9a4d1d357a7ec830e47039d5c6a4207b4b44d4 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 22 Mar 2024 19:53:54 -0400 Subject: [PATCH 35/76] update formatting for changelog tags --- ChangeLog.rst | 63 +++++++++++++++++++++++++-------------------------- 1 file changed, 31 insertions(+), 32 deletions(-) diff --git a/ChangeLog.rst b/ChangeLog.rst index 2e637ed..00b1283 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -17,8 +17,8 @@ Known issues Change history ============== -1.7.0 2024-03-11 ----------------- +2024-03-11 R1.7.0 +----------------- Modified: @@ -35,8 +35,8 @@ Modified: * Tested on Python 3.8 and above. Support for python 2.7 dropped. * Remove eval() from codebase. -1.6.1 2022-05-18 ----------------- +2022-05-18 R1.6.1 +----------------- Modified: @@ -44,8 +44,8 @@ Modified: activation. * Calculate b mode activation correctly for Eu[151] => Gd[152] -1.6.0 2021-04-21 ----------------- +2021-04-21 R1.6.0 +----------------- New: @@ -64,8 +64,8 @@ Breaking changes: even for energy independent elements. Previous versions returned a scalar if the returned value was identical for each wavelength. -1.5.3 2020-11-04 ----------------- +2020-11-04 R1.5.3 +----------------- Breaking changes: @@ -94,8 +94,8 @@ Modified: * Switch unit test framework from nose to pytest. * Update docs. -1.5.2 2019-11-19 ----------------- +2019-11-19 R1.5.2 +----------------- Modified: @@ -106,8 +106,8 @@ Modified: Neutron Data Booklet, which cites CRC as the primary source. * Updated references. -1.5.1 2019-09-09 ----------------- +2019-09-09 R1.5.1 +----------------- Modified: @@ -116,8 +116,8 @@ Modified: * remove half-life units from column header in activation table since each row gives its own units. -1.5.0 2017-05-11 ----------------- +2017-05-11 R1.5.0 +----------------- New: @@ -131,36 +131,35 @@ Modified: * fixed computation of incoherent cross section so it is consistent with coherent cross section and total cross section - -1.4.1 2014-02-04 ----------------- +2014-02-04 R1.4.1 +----------------- Modified: * default density is now the isotopic density rather than the natural density -1.4.0 2013-12-20 ----------------- +2013-12-20 v1.4.0 +----------------- * support python 3.3 -1.3.10 2013-10-25 ------------------ +2013-10-25 R1.3.10 +------------------ Modified: * fix activation calculation to ignore fast neutrons in thermal environment * add emission spectra for remaining elements above neon -1.3.9 2013-04-23 ----------------- +2013-04-23 R1.3.9 +----------------- Modified: * Update requirements to pyparsing<2.0.0 (we don't support python 3 yet) -1.3.8 2013-04-08 ----------------- +2013-04-08 R1.3.8 +----------------- New: @@ -171,8 +170,8 @@ Modified: * py2exe/py2app wrapping now includes missing activation.dat * skipping bad 1.3.7 build which didn't include all changes -1.3.6 2013-03-05 ----------------- +2013-03-05 R1.3.6 +----------------- New: @@ -186,8 +185,8 @@ Modified: cross section. Penetration depth of the unscattered beam still uses the total cross section plus the absorption cross section. -1.3.5 2013-02-26 ----------------- +2013-02-26 R1.3.5 +----------------- New: @@ -206,7 +205,7 @@ Modified: * fix element.interatomic_distance * formula(value=...) -> formula(compound=...) -1.3 2010-12-05 +2010-12-05 R1.3 --------------- New: @@ -220,7 +219,7 @@ Modified: * need wavelength= or energy= for xray/neutron sld * improved docs and testing -1.2 2010-04-28 +2010-04-28 R1.2 --------------- New: @@ -241,7 +240,7 @@ Modified: * bug fix: sld for H[2] was wrong when queried before sld for H. * remove CrysFML ionic radius definitions -1.1 2009-01-20 +2009-01-20 R1.1 --------------- Modified: From 5ac8e561af2e70df2c19f991d3bcc4cb697869f9 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Fri, 22 Mar 2024 19:59:34 -0400 Subject: [PATCH 36/76] R1.7.0 actual --- ChangeLog.rst | 9 ++++++--- 1 file changed, 6 insertions(+), 3 deletions(-) diff --git a/ChangeLog.rst b/ChangeLog.rst index 00b1283..f480558 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -17,20 +17,23 @@ Known issues Change history ============== -2024-03-11 R1.7.0 +2024-03-22 R1.7.0 ----------------- -Modified: +New: * Use wt% and vol% for mixtures. The non-standard %wt and %vol are still supported, but may be removed in a future version if they cause ambiguity in the parser. * Support mixtures containing FASTA components such as dna:CGCTAATC +* Support unicode subscripts in chemical formula input. + +Modified: + * Fasta calculations for formula, density and sld have changed. DNA/RNA now use Buckin (1989) for unit volumes. DNA/RNA no longer include sodium ions from tables in Perkins (1988). Sequences now include H+ and OH- terminators. * Use correct halflife for Tm-171, Ho-163 and W-188 activation products. -* Support unicode subscripts in chemical formula input. * Fix decay time estimation routine. * Tested on Python 3.8 and above. Support for python 2.7 dropped. * Remove eval() from codebase. From 4ff037be26fbab926882ec3248e9f89288c6ddb9 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 8 Jul 2024 18:01:55 -0400 Subject: [PATCH 37/76] R 1.7.1 --- ChangeLog.rst | 8 ++++++++ periodictable/__init__.py | 2 +- periodictable/nsf.py | 2 +- periodictable/xsf.py | 2 +- release.sh | 1 + 5 files changed, 12 insertions(+), 3 deletions(-) diff --git a/ChangeLog.rst b/ChangeLog.rst index f480558..e9b8489 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -17,6 +17,14 @@ Known issues Change history ============== + +2024-07-08 R1.7.1 +----------------- + +Updated: + +* Support numpy 2.x, which removed the alias np.NaN + 2024-03-22 R1.7.0 ----------------- diff --git a/periodictable/__init__.py b/periodictable/__init__.py index fe98650..17bcab4 100644 --- a/periodictable/__init__.py +++ b/periodictable/__init__.py @@ -28,7 +28,7 @@ __docformat__ = 'restructuredtext en' __all__ = ['elements', 'neutron_sld', 'xray_sld', 'formula', 'mix_by_weight', 'mix_by_volume'] # and all elements -__version__ = "1.7.0" +__version__ = "1.7.1" from . import core from . import mass diff --git a/periodictable/nsf.py b/periodictable/nsf.py index db288b7..4030088 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -542,7 +542,7 @@ def init(table, reload=False): # Note: Sears (1992) uses b = b' - i b'', so negate sigma_a for b''. # Warning: -b_c.imag may be -0, which can mess with your calculations. #if nsf.b_c is None: print(f"b_c unavailable for {columns[0]}") - b_c = nsf.b_c if nsf.b_c is not None else np.NaN + b_c = nsf.b_c if nsf.b_c is not None else np.nan b_c_i = -nsf.absorption/(2000*ABSORPTION_WAVELENGTH) nsf.b_c_complex = b_c + 1j*b_c_i diff --git a/periodictable/xsf.py b/periodictable/xsf.py index 0e924dc..4fb94d3 100644 --- a/periodictable/xsf.py +++ b/periodictable/xsf.py @@ -261,7 +261,7 @@ def _gettable(self): self.element.symbol.lower()+".nff") if self.element.symbol != 'n' and os.path.exists(filename): xsf = numpy.loadtxt(filename, skiprows=1).T - xsf[1, xsf[1] == -9999.] = numpy.NaN + xsf[1, xsf[1] == -9999.] = numpy.nan xsf[0] *= 0.001 # Use keV in table rather than eV self._table = xsf return self._table diff --git a/release.sh b/release.sh index b79765f..8b7c66a 100755 --- a/release.sh +++ b/release.sh @@ -120,6 +120,7 @@ if [ $step -le 5 ]; then git tag -a v$version -m "Release $version" git push --tags python setup.py sdist + #twine upload dist/periodictable-$version.tar.gz -p twine upload dist/periodictable-$version.tar.gz ready pypi Package upload successful? fi From a6235e405502d7124d0ee7cdc5ee12f73da7980f Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 25 Sep 2024 12:14:02 -0400 Subject: [PATCH 38/76] Initialize the table on set as well as get. Fixes #84. --- periodictable/core.py | 3 +++ 1 file changed, 3 insertions(+) diff --git a/periodictable/core.py b/periodictable/core.py index 7324eea..a2de867 100644 --- a/periodictable/core.py +++ b/periodictable/core.py @@ -130,6 +130,9 @@ def setter(propname): def setfn(el, value): #print "set", el, propname, value clearprops() + # Since the property is now cleared the lazy loader will not be + # triggered in the getter for a different element, so call it here. + loader() setattr(el, propname, value) return setfn From 116d2b3e5260babc0bf2f82cd284691523ef2250 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 25 Sep 2024 13:29:53 -0400 Subject: [PATCH 39/76] Move to pyproject.toml for build system --- MANIFEST.in | 1 + pyproject.toml | 46 +++++++++++++++++++++++++++++++++++++++++++ pytest.ini | 7 ------- setup.py | 53 -------------------------------------------------- 4 files changed, 47 insertions(+), 60 deletions(-) create mode 100644 pyproject.toml delete mode 100644 pytest.ini delete mode 100755 setup.py diff --git a/MANIFEST.in b/MANIFEST.in index db86edc..fce8c97 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -1,4 +1,5 @@ include LICENSE.txt +include README.rst include doc include periodictable/xsf/* include periodictable/activation.dat diff --git a/pyproject.toml b/pyproject.toml new file mode 100644 index 0000000..ee3e06d --- /dev/null +++ b/pyproject.toml @@ -0,0 +1,46 @@ +[project] +name = "periodictable" +dynamic = ["version"] +description = "Extensible periodic table of the elements" +readme = "README.rst" +authors = [ + { name = "Paul Kienzle", email = "paul.kienzle@nist.gov" }, +] +license = { file = "LICENSE.txt" } +dependencies = [ + "pyparsing", "numpy", +] +classifiers=[ + "Development Status :: 5 - Production/Stable", + "Environment :: Console", + "Intended Audience :: Science/Research", + "License :: Public Domain", + "Operating System :: OS Independent", + "Programming Language :: Python", + "Programming Language :: Python :: 3", + "Topic :: Scientific/Engineering :: Chemistry", + "Topic :: Scientific/Engineering :: Physics", +] +requires-python = ">=3.8" + +[project.urls] +documentation = "https://periodictable.readthedocs.io" +repository = "hhttps://github.com/pkienzle/periodictable" + +[build-system] +requires = ["setuptools", "wheel"] +build-backend = "setuptools.build_meta" + +[tool.setuptools.dynamic] +version = { attr = "periodictable.__version__" } + +[tool.setuptools] +packages = ["periodictable"] + +[tool.pytest.ini_options] +addopts = ["--doctest-modules", "--doctest-glob=*.rst", "--cov=periodictable"] +doctest_optionflags = "ELLIPSIS" +testpaths = ["periodictable", "test", "doc/sphinx/guide"] +python_files = "*.py" +python_classes = "NoClassTestsWillMatch" +python_functions = ["test", "*_test", "test_*", "model_tests"] diff --git a/pytest.ini b/pytest.ini deleted file mode 100644 index ddb2e69..0000000 --- a/pytest.ini +++ /dev/null @@ -1,7 +0,0 @@ -[pytest] -addopts = --doctest-modules --doctest-glob=*.rst --cov=periodictable -doctest_optionflags = ELLIPSIS -testpaths = periodictable test doc/sphinx/guide -python_files = *.py -python_classes = NoClassTestsWillMatch -python_functions = test *_test test_* model_tests \ No newline at end of file diff --git a/setup.py b/setup.py deleted file mode 100755 index b756ecb..0000000 --- a/setup.py +++ /dev/null @@ -1,53 +0,0 @@ -#!/usr/bin/env python -import sys -import os - -from setuptools import setup - -ROOT = os.path.join(os.path.dirname(__file__)) - -VERSION = None -for line in open(os.path.join(ROOT, "periodictable", "__init__.py")): - if "__version__" in line: - VERSION = line.split('"')[1] - -if len(sys.argv) == 1: - sys.argv.append('install') - -def readtext(path): - with open(os.path.join(ROOT, path)) as fid: - return fid.read() - -setup( - name='periodictable', - version=VERSION, - author='Paul Kienzle', - author_email='pkienzle@gmail.com', - license='public domain', - url='https://github.com/pkienzle/periodictable', - description='Extensible periodic table of the elements', - long_description=readtext('README.rst'), - classifiers=[ - 'Development Status :: 4 - Beta', - 'Environment :: Console', - 'Intended Audience :: Science/Research', - 'License :: Public Domain', - 'Operating System :: OS Independent', - 'Programming Language :: Python', - 'Programming Language :: Python :: 3', - 'Topic :: Scientific/Engineering :: Chemistry', - 'Topic :: Scientific/Engineering :: Physics', - ], - packages=['periodictable'], - include_package_data=True, - package_data={ - # NOTE: be sure to include files in MANIFEST.in as well - 'periodictable' : - ['activate.dat', 'xsf/*.nff', 'xsf/f0_WaasKirf.dat', 'xsf/read.me'], - }, - #data_files = periodictable.data_files(), - install_requires=['pyparsing', 'numpy'], - tests_require=['pytest', 'pytest-cov'], -) - -# End of file From fce8e9937b18b59168eac9c7de4023d4f081598c Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 1 Oct 2024 14:21:38 -0400 Subject: [PATCH 40/76] Move to pyproject.toml for build system --- pyproject.toml | 9 +++++++++ 1 file changed, 9 insertions(+) diff --git a/pyproject.toml b/pyproject.toml index ee3e06d..1426de6 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -10,6 +10,15 @@ license = { file = "LICENSE.txt" } dependencies = [ "pyparsing", "numpy", ] + +[project.optional-dependencies] +dev = [ + 'build', + 'pytest', + 'pytest-cov', + 'sphinx', +] + classifiers=[ "Development Status :: 5 - Production/Stable", "Environment :: Console", From 5e3a96e37187b0f52b38b90c7e13192a3d31d754 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 2 Oct 2024 12:51:23 -0400 Subject: [PATCH 41/76] Prepare R2.0.0-pre with new mass tables. --- ChangeLog.rst | 14 +- MANIFEST.in | 10 +- README.rst | 30 +- doc/sphinx/guide/customizing.rst | 4 +- doc/sphinx/guide/data_sources.rst | 7 +- doc/sphinx/guide/formula_grammar.rst | 29 +- doc/sphinx/guide/using.rst | 22 +- periodictable/__init__.py | 2 +- periodictable/constants.py | 13 +- periodictable/core.py | 2 +- periodictable/density.py | 7 +- periodictable/fasta.py | 22 +- periodictable/mass.py | 6602 ++++++++++++++------------ periodictable/mass_2001.py | 3033 ++++++++++++ periodictable/nsf.py | 80 +- periodictable/util.py | 49 + periodictable/xsf.py | 4 +- test/test_formulas.py | 26 +- test/test_mass.py | 28 +- test/test_nsf.py | 43 +- test/test_xsf.py | 23 +- 21 files changed, 6894 insertions(+), 3156 deletions(-) create mode 100644 periodictable/mass_2001.py diff --git a/ChangeLog.rst b/ChangeLog.rst index e9b8489..b836cf7 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -11,12 +11,24 @@ Known issues * Incoherent scattering calculations for energy-dependent rare earth elements is underestimated. The calculation requires bound incoherent scattering - lengths (b_i) and the bound coherent lengths (b_c), but only b_c is + length (b_i) but only the bound coherent scattering length (b_c) is included. Change history ============== +2.0.0 2024-10-?? +---------------- + +Modified: + +* Move to IAEA AME2020 for isotope mass +* Move to IUPAC CIAAW 2021 for atomic weight and isotopic abundance +* Li-6:Li-7 mass ratio changed from 12.2 to 19.6 (delta = 2.7%) +* Isotope percentage changed by 0.1 to 0.5 for B, Zn, Ge, Se, Mo, Er, Yb, Pt, Hg +* Atomic weight changed by 0.04% for Zn, 0.02% for S and 0.01% for Li, Ge, Se, Mo +* Neutron b_c changed for Zn-70 from 6.9 to 6.0 (fixes a typo in the original table) +* Fix typos in uncertainties in the neutron table (Zr-90, Te-124, Ba-138, Sm-147) 2024-07-08 R1.7.1 ----------------- diff --git a/MANIFEST.in b/MANIFEST.in index fce8c97..5e5c425 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -1,8 +1,12 @@ include LICENSE.txt include README.rst -include doc -include periodictable/xsf/* +graft doc +graft periodictable/xsf include periodictable/activation.dat prune doc/sphinx/_build prune doc/sphinx/build -exclude build dist *.pyc +prune */__pycache__ +prune */*/__pycache__ +prune */*/*/__pycache__ +prune build +prune dist diff --git a/README.rst b/README.rst index 2877007..8e31ac3 100644 --- a/README.rst +++ b/README.rst @@ -5,23 +5,21 @@ Extensible periodic table of the elements This package provides a periodic table of the elements with support for mass, density and xray/neutron scattering information. -Masses, densities and natural abundances come from the -NIST Physics Laboratory, but do not represent a critical -evaluation by NIST scientists. - Neutron scattering calculations use values collected by the -Atomic Institute of the Austrian Universities. These values -do corresponding to those from other packages, though there -are some differences depending to the tables used. Bound -coherent neutron scattering for gold in particular is significantly -different from older value: 7.63(6) as measured in 1974 -compared to 7.90(7) as measured in 1990. - -X-ray scattering calculations use a combination of empirical and -theoretical values from the LBL Center for X-ray Optics. These -values differ from those given in other sources such as the -International Tables for Crystallography, Volume C, and so may -give different results from other packages. +Atomic Institute of the Austrian Universities as they appear in the neutron +data booklet, with support for some energy dependent scattering +in rare earth elements given by Lynn and Seeger (1990). X-ray scattering +calculations use a combination of empirical and theoretical values from +the LBL Center for X-ray Optics. + +Tabulated values differ from those given in other sources such as the +International Tables for Crystallography, Volume C, and so computed +cross sections may give different results from other packages. + +Neutron activation calculations are based on Shleien (1998), with +isotopes important to health physics. They do not perform a full +activation analysis, but instead give a gross estimate of the amount +of activation expected for a sample in the beam. Install using:: diff --git a/doc/sphinx/guide/customizing.rst b/doc/sphinx/guide/customizing.rst index 36c0fb7..0499da7 100644 --- a/doc/sphinx/guide/customizing.rst +++ b/doc/sphinx/guide/customizing.rst @@ -28,9 +28,9 @@ Example: ... iso._mass /= scale >>> print("%.10f %.10f"%(mytable.H[1].mass, mytable.C[12].mass)) - 1.0000000000 11.9068286833 + 1.0000000000 11.9068286857 >>> print("%.10f %.10f"%(periodictable.H[1].mass, periodictable.C[12].mass)) - 1.0078250321 12.0000000000 + 1.0078250319 12.0000000000 >>> print("%.10f"%formula('2H[1]', table=mytable).mass) 2.0000000000 diff --git a/doc/sphinx/guide/data_sources.rst b/doc/sphinx/guide/data_sources.rst index df5b232..d15e1e6 100644 --- a/doc/sphinx/guide/data_sources.rst +++ b/doc/sphinx/guide/data_sources.rst @@ -7,8 +7,11 @@ Data Sources Physical constants `NIST Physics Laboratory - Constants, units and uncertainty `_ -Atomic and isotope mass - `NIST Physics Laboratory - Atomic weights and isotope composition `_ +Isotope mass + `IAEA Atomic Mass Data Center AME2020 `_ + +Atomic weight and isotope abundance + `IUPAC commission on isotope abundances and atomic weights `_ Atomic density *ILL Neutron Data Booklet* diff --git a/doc/sphinx/guide/formula_grammar.rst b/doc/sphinx/guide/formula_grammar.rst index 948245a..db1ab2c 100644 --- a/doc/sphinx/guide/formula_grammar.rst +++ b/doc/sphinx/guide/formula_grammar.rst @@ -127,7 +127,7 @@ A formula string is translated into a formula using * Specific mass can be giving with count follwed by mass units: >>> print(formula("5g NaCl // 50mL H2O@1")) - NaCl(H2O)32.4407 + NaCl(H2O)32.4395 Density will be required for materials given by volume. Mass will be stored in the *total_mass* attribute of the resulting formula. @@ -135,7 +135,7 @@ A formula string is translated into a formula using * Multilayers can be specified by thickness: >>> print(formula("1 um Si // 5 nm Cr // 10 nm Au")) - Si119.99CrAu1.41722 + Si119.992CrAu1.41722 Density will be required for each layer. Thickness will be stored in the *total_thickness* attribute of the resulting formula. Thickness can @@ -146,7 +146,7 @@ A formula string is translated into a formula using 20:80 by volume with D2O: >>> print(formula("20vol% (10 wt% NaCl@2.16 // H2O@1) // D2O@1n")) - NaCl(H2O)29.1966(D2O)122.794 + NaCl(H2O)29.1956(D2O)122.79 * Empty formulas are supported, e.g., for air or vacuum: @@ -203,7 +203,7 @@ Formulas can also be constructed from atoms or other formulas: * Formulas can be easily cloned: - >>> print(formula( formula("CaCO3+6H2O"))) + >>> print(formula(formula("CaCO3+6H2O"))) CaCO3(H2O)6 Density @@ -217,7 +217,7 @@ to those isotopes used. This makes heavy water density easily specified as: - >>> D2O = formula('D2O',natural_density=1) + >>> D2O = formula("D2O", natural_density=1) >>> print(f"{D2O} {D2O.density:.4g}") D2O 1.112 @@ -235,21 +235,18 @@ Because the packing fraction method relies on the covalent radius estimate it is not very accurate: >>> from periodictable import elements, formula - >>> Fe_bcc = formula("2Fe") # bcc lattice has 2 atoms per unit cell - >>> Fe_bcc.density = Fe_bcc.molecular_mass/Fe_bcc.volume('bcc') - >>> print(f"{Fe_bcc.density:.3g}") + >>> Fe = formula("2Fe") # bcc lattice has 2 atoms per unit cell + >>> Fe.density = Fe.molecular_mass/Fe.volume('bcc') + >>> print(f"{Fe.density:.3g}") 6.55 >>> print(f"{elements.Fe.density:.3g}") 7.87 Using lattice parameters the results are much better: - >>> Fe_lattice = formula("2Fe") # bcc lattice has 2 atoms per unit cell - >>> Fe_lattice.density = Fe_lattice.molecular_mass/Fe_lattice.volume(a=2.8664) - >>> print(f"{Fe_lattice.density:.3g}") + >>> Fe.density = Fe.molecular_mass/Fe.volume(a=2.8664) + >>> print(f"{Fe.density:.3g}") 7.88 - >>> print(f"{elements.Fe.density:.3g}") - 7.87 Mixtures -------- @@ -269,7 +266,7 @@ Note that this is different from a 2:1 mixture by weight: >>> mix = mix_by_weight(H2O,2,D2O,1) >>> print(f"{mix} {mix.density:.4g}") - (H2O)2.2234D2O 1.035 + (H2O)2.22339D2O 1.035 Except in the simplest of cases, the density of the mixture cannot be computed from the densities of the components, and the resulting density @@ -285,8 +282,8 @@ compute molar mass and neutron/xray scattering length density: >>> import periodictable >>> SiO2 = periodictable.formula('SiO2') >>> hydrated = SiO2 + periodictable.formula('3H2O') - >>> print(f"{hydrated} mass {hydrated.mass}") - SiO2(H2O)3 mass 114.13014 + >>> print(f"{hydrated} mass {hydrated.mass:.3f}") + SiO2(H2O)3 mass 114.128 >>> rho,mu,inc = periodictable.neutron_sld('SiO2+3H2O',density=1.5,wavelength=4.75) >>> print(f"{hydrated} neutron sld {rho:.3g}") SiO2(H2O)3 neutron sld 0.849 diff --git a/doc/sphinx/guide/using.rst b/doc/sphinx/guide/using.rst index 302d8e1..da7872e 100644 --- a/doc/sphinx/guide/using.rst +++ b/doc/sphinx/guide/using.rst @@ -18,7 +18,7 @@ Access particular elements by name: >>> from periodictable import hydrogen >>> print("H mass %s %s"%(hydrogen.mass, hydrogen.mass_units)) - H mass 1.00794 u + H mass 1.008 u Access particular elements as symbols: @@ -54,7 +54,7 @@ Import all elements: >>> print(periodictable.H) H >>> print(periodictable.H.mass) - 1.00794 + 1.008 Deuterium and tritium are special isotopes named D and T some neutron information is available as 'n': @@ -62,9 +62,9 @@ some neutron information is available as 'n': .. doctest:: >>> print("D mass %s"%D.mass) - D mass 2.014101778 + D mass 2.01410177784 >>> print("neutron mass %s"%n.mass) - neutron mass 1.00866491597 + neutron mass 1.0086649159 Process all the elements: @@ -97,12 +97,12 @@ Process all the :class:`isotopes ` for an element: >>> for iso in periodictable.H: ... print("%s %s"%(iso,iso.mass)) - 1-H 1.0078250321 - D 2.014101778 - T 3.0160492675 - 4-H 4.02783 - 5-H 5.03954 - 6-H 6.04494 + 1-H 1.0078250319 + D 2.01410177784 + T 3.01604928132 + 4-H 4.02643 + 5-H 5.03531 + 6-H 6.04496 You can create a unique handle to an individual ion. In addition to storing the ion charge, this can be used to reference the underlying properties of @@ -115,7 +115,7 @@ the element or isotope: >>> print("charge for Ni2+ is %d"%Ni_2.charge) charge for Ni2+ is 2 >>> print("mass for Ni[58] and for natural abundance: %.4f %.4f"%(Ni58_2.mass, Ni_2.mass)) - mass for Ni[58] and for natural abundance: 57.9343 58.6923 + mass for Ni[58] and for natural abundance: 57.9342 58.6923 The ion specific properties can be accessed from the ion using ion.charge for the ion index: diff --git a/periodictable/__init__.py b/periodictable/__init__.py index 17bcab4..9b39040 100644 --- a/periodictable/__init__.py +++ b/periodictable/__init__.py @@ -28,7 +28,7 @@ __docformat__ = 'restructuredtext en' __all__ = ['elements', 'neutron_sld', 'xray_sld', 'formula', 'mix_by_weight', 'mix_by_volume'] # and all elements -__version__ = "1.7.1" +__version__ = "2.0.0-pre" from . import core from . import mass diff --git a/periodictable/constants.py b/periodictable/constants.py index 9e83710..b41ea3b 100644 --- a/periodictable/constants.py +++ b/periodictable/constants.py @@ -15,12 +15,17 @@ #: electron radius r_e (m) electron_radius = 2.8179402894e-15 #(58) m -# From NIST Reference on Constants, Units, and Uncertainty +# [CODATA] From NIST Reference on Constants, Units, and Uncertainty # http://physics.nist.gov/cuu/index.html -# neutron mass = 1.008 664 915 97(43) u -# atomic mass constant m_u = 1.660 538 782(83) x 10-27 kg +# [AME2020] "The Ame2020 atomic mass evaluation (II)" +# by M.Wang, W.J.Huang, F.G.Kondev, G.Audi and S.Naimi +# Chinese Physics C45, 030003, March 2021. #: neutron mass (u) -neutron_mass = 1.00866491597 #(43) u +neutron_mass = 1.00866491590 #(47) u [AME 2020] +neutron_mass_unc = 0.00000000047 +#neutron_mass = 1.00866491597 #(43) u [CODATA 2010?] +#neutron_mass = 1.00866491595 #(49) u [CODATA 2018] + #: atomic mass constant (kg / u) atomic_mass_constant = 1.660538782e-27 #(83) kg / u #: electron mass (u) diff --git a/periodictable/core.py b/periodictable/core.py index a2de867..526516f 100644 --- a/periodictable/core.py +++ b/periodictable/core.py @@ -381,7 +381,7 @@ def list(self, *props, **kw): >>> from periodictable import elements >>> elements.list('symbol', 'mass', 'density', - ... format="%-2s: %6.2f u %5.2f g/cm^3") # doctest: +ELLIPSIS, +NORMALIZE_WHITESPACE + ... format="%-2s: %6.2f u %6.2f g/cm^3") # doctest: +ELLIPSIS, +NORMALIZE_WHITESPACE H : 1.01 u 0.07 g/cm^3 He: 4.00 u 0.12 g/cm^3 Li: 6.94 u 0.53 g/cm^3 diff --git a/periodictable/density.py b/periodictable/density.py index f02dd7c..be85ed6 100644 --- a/periodictable/density.py +++ b/periodictable/density.py @@ -25,8 +25,8 @@ >>> from periodictable import D, H >>> print("H: %.4f, D: %.4f"%(H.density, D.density)) H: 0.0708, D: 0.1415 - >>> print((D.density/H.density) / (D.mass/H.mass)) - 1.0 + >>> print(f"{(D.density/H.density) / (D.mass/H.mass):.4f}") + 1.0000 The following plot shows density for all elements: @@ -170,7 +170,8 @@ def init(table, reload=False): el.density_caveat = "" element_densities = dict( - n=None, # Unless someone wants to look up neutron star densities... + # TODO: stop pretending that a bare neutron is element zero. + n=None, H=(0.0708, "T=-252.87"), He=(0.122, "T=-268.93"), Li=0.534, diff --git a/periodictable/fasta.py b/periodictable/fasta.py index 9db5fcf..cb5860d 100644 --- a/periodictable/fasta.py +++ b/periodictable/fasta.py @@ -531,7 +531,7 @@ def fasta_table(): rows += [v for k, v in sorted(NUCLEIC_ACID_COMPONENTS.items())] rows += [Sequence("beta casein", beta_casein)] - print("%20s %7s %7s %7s %5s %5s %5s %5s %5s %5s" + print("%25s %7s %7s %7s %5s %5s %5s %5s %5s %5s" % ("name", "M(H2O)", "M(D2O)", "volume", "den", "#el", "xray", "nH2O", "nD2O", "%D2O match")) for v in rows: @@ -548,18 +548,27 @@ def test(): from periodictable.constants import avogadro_number from .formulas import formula elements = default_table() - H2O = formula("H2O@1n") - D2O = formula("D2O@1n") # Beta casein results checked against Duncan McGillivray's spreadsheet # name Hmass Dmass vol den #el xray Hsld Dsld # =========== ======= ======= ======= ===== ===== ===== ===== ===== # beta casein 23561.9 23880.9 30872.9 1.27 12614 11.55 1.68 2.75 + # ... updated for new mass table [2023-08] + # same 23562.3 23881.2 same 1.27 same 1.68 2.75 + seq = Sequence("beta casein", beta_casein) - assert abs((seq.mass-H2O.mass) - 23561.9) < 0.1 - assert abs((seq.Dmass-D2O.mass) - 23880.9) < 0.1 + density = seq.mass/avogadro_number/seq.cell_volume*1e24 + # print(seq.formula) + # print(seq.mass, seq.Dmass, density, seq.sld, seq.Dsld) + + # Sequence now includes terminators: H[1]-...-OH[1], so adjust the masses + # slightly from the spreadsheet values. + H2O = formula("H2O@1n") + D2O = formula("D2O@1n") + assert abs(seq.mass - (23562.3 + H2O.mass)) < 0.1 + assert abs(seq.Dmass - (23881.2 + D2O.mass)) < 0.1 assert abs(seq.cell_volume - 30872.9) < 0.1 - assert abs(seq.mass/avogadro_number/seq.cell_volume*1e24 - 1.267) < 0.01 + assert abs(density - 1.267) < 0.01 assert abs(seq.sld - 1.68) < 0.01 assert abs(seq.Dsld - 2.75) < 0.01 @@ -572,3 +581,4 @@ def test(): if __name__ == "__main__": fasta_table() + #test() diff --git a/periodictable/mass.py b/periodictable/mass.py index b19e06d..5fbcaed 100644 --- a/periodictable/mass.py +++ b/periodictable/mass.py @@ -2,13 +2,12 @@ # This program is public domain # Author: Paul Kienzle u""" - -Adds average mass for the elements: +Provides average mass for the elements: * mass, mass_units (u) The molar mass averaged over natural isotope abundance. -Adds mass and abundance information for isotopes: +Provides mass and abundance information for isotopes: * mass, mass_units (u) The molar mass of the individual isotope. @@ -16,53 +15,54 @@ * abundance, abundance_units (%) Natural abundance for the isotope. -Atomic Weights and Isotopic Composition [#Coursey]_. - -The atomic weights are available for elements 1 through 112, 114, & 116 and -isotopic compositions or abundances are given when appropriate. The atomic -weights data were published by Coplen [#Coplen]_ in Atomic Weights of the -Elements 1999, (and include changes reported from the 2001 review in -Chem. Int., 23, 179 (2001)) and the isotopic compositions data were -published by Rosman [#Rosman]_ and Taylor [#Taylor]_ in Isotopic Compositions -of the Elements 1997. The relative atomic masses of the isotopes data were -published by Audi [#Audi]_ and Wapstra [#Wapstra]_ in the 1995 Update To The -Atomic Mass Evaluation. +The atomic mass data for the isotopes and for the neutron were published +by Wang [#Wang]_ in the AME 2020 atomic mass evaluation (II). -This data has been compiled from the above sources for the user's convenience -and does not represent a critical evaluation by the NIST Physics Laboratory. -http://physics.nist.gov/PhysRefData/Compositions/ +Natural abundance mass and isotope fractions come from the IUPAC commission +on isotopic abundances and atomic weights (CIAAW) [#CIAAW]_. This is an +ill-defined problem since there is natural fractionation of the isotopes, +giving different masses and ratios from different samples. The current +recommended table therefore gives ranges of values for the natural mass +and isotope abundance rather than a single value with an uncertainty. -Neutron mass from NIST Reference on Constants, Units, and Uncertainty -http://physics.nist.gov/cuu/index.html +For periodictable, fractionation ranges for masses were replaced with abridged +standard atomic weights as given in Prohaska [#Prohaska]. For the abundance +ratios the center value of the range was chosen. A few elements had to be +adjusted slightly so that they would sum to 100%. -.. [#Coursey] Coursey. J. S., Schwab. D. J., and Dragoset. R. A., NIST, - Physics Laboratory, Office of Electronic Commerce in Scientific - and Engineering Data. -.. [#Coplen] Coplen. T. B. : U.S. Geological Survey, Reston, Virginia, USA. -.. [#Rosman] Rosman. K. J. R. : Department of Applied Physics, Curtin University - of Technology, Australia. -.. [#Taylor] Taylor. P. D. P. : Institute for Reference Materials and - Measurements, European Commission, Belgium. -.. [#Audi] Audi. G. : Centre de Spectrométrie Nucléaire et de Spectrométrie - de Masse, Orsay Campus, France. -.. [#Wapstra] Wapstra. A. H. : National Institute of Nuclear Physics - and High-Energy Physics, Amsterdam, The Netherlands. -""" +The values for Ar and N were set to the values present in the atmosphere +and U was set to the values in a Namibian ore per the recommendations +in Meija (2016). -from .core import Element, Isotope -from .constants import neutron_mass +The values for Pb in the CIAAW table are too broad to be usable. For example, +206-Pb varies from 0.02 to 0.87 in monazite samples (Zhu 2020) [#Zhu]. Rather +than return NaN for composition we replace the ranges with representative +atomic abundance values in Meija (2016). See the CIAAW page on +`lead `_ for details. -#__all__ = ['init'] +Note: uncertainties are stored in `iso._mass_unc` and `iso._abundance_unc`, +but they are not yet part of the public interface. -def _parse_mass(str): - idx = str.find('(') - if idx > 0: # value(uncertainty) - return float(str[:idx]) - if str.startswith('['): # [nominal] - return int(str[1:-1]) - if str == "": # missing - return 0 - return float(str) +.. [#CIAAW] CIAAW. Isotopic compositions of the elements 2021. + Available online at www.ciaaw.org. +.. [#Wang] Meng Wang et al. (2021) Chinese Phys. C 45 030003 + DOI:10.1088/1674-1137/abddaf + From https://www-nds.iaea.org/amdc/ame2020/massround.mas20.txt (2023-07-06) +.. [#Meija] J. Meija et al. (2016) + Isotopic compositions of the elements 2013 + Pure and Applied Chemistry 88, 293-306. + From https://www.ciaaw.org/isotopic-abundances.htm (2023-07-06) +.. [#Prohaska] T. Prohaska, et al. (2022) + Standard atomic weights of the elements 2021. + Pure Appl. Chem. 94. DOI:10.1515/pac-2019-0603 + From https://www.ciaaw.org/atomic-weights.htm (2023-07-06) +.. [*Zhu] Zhu, X., Benefield, J., Coplen, T., Gao, Z. & Holden, N. (2021). + Variation of lead isotopic composition and atomic weight in terrestrial + materials (IUPAC Technical Report). Pure and Applied Chemistry, 93(1), 155-166. + https://doi.org/10.1515/pac-2018-0916 +""" +from .core import Element, Isotope, default_table +from .util import parse_uncertainty def mass(isotope): """ @@ -74,10 +74,6 @@ def mass(isotope): :Returns: *mass* : float | u Atomic weight of the element. - - Reference: - *Coursey. J. S., Schwab. D. J, and Dragoset. R. A., - NIST Atomic Weights and Isotopic Composition Database.* """ return isotope._mass @@ -90,10 +86,6 @@ def abundance(isotope): :Returns: *abundance* : float | % - - Reference: - *Coursey. J. S., Schwab. D. J, and Dragoset. R. A., NIST Atomic - Weights and Isotopic Composition Database.* """ return isotope._abundance @@ -108,2962 +100,3570 @@ def init(table, reload=False): Element.mass_units = "u" Element.abundance_units = "%" - for line in massdata.split('\n'): + # Parse isotope mass table where each line looks like: + # z-el-iso,isotope mass(unc)#?,abundance(unc),element mass(unc) + # The abundance and element masses will be set from other tables, so + # ignore them here. + for line in isotope_mass.split('\n'): isotope, m, p, avg = line.split(',') - el, sym, iso = isotope.split('-') - el = table[int(el)] + z, sym, iso = isotope.split('-') + el = table[int(z)] assert el.symbol == sym, \ "Symbol %s does not match %s"%(sym, el.symbol) iso = el.add_isotope(int(iso)) - el._mass = _parse_mass(avg) - iso._mass = _parse_mass(m) - iso._abundance = _parse_mass(p) + # Note: new mass table doesn't include nominal values for transuranics + # so use old masses here and override later with new masses. + el._mass, el._mass_unc = parse_uncertainty(avg) + #el._mass, el._mass_unc = None, None + iso._mass, iso._mass_unc = parse_uncertainty(m) + #iso._abundance, iso._abundance_unc = parse_uncertainty(p) + iso._abundance, iso._abundance_unc = 0, 0 # A single neutron is an isotope of element 0 + from .constants import neutron_mass, neutron_mass_unc el = table[0] - el._mass = neutron_mass + el._mass, el._mass_unc = neutron_mass, neutron_mass_unc iso = el.add_isotope(1) - iso._mass = neutron_mass - iso._abundance = 100 + iso._mass, iso._mass_unc = neutron_mass, neutron_mass_unc + iso._abundance, iso._abundance_unc = 100, 0 + + # Parse element mass table where each line looks like: + # z El element mass(unc)|[low,high]|- note note ... + for line in element_mass.split('\n'): + z, symbol, name, value = line.split()[:4] + #print(z, symbol, name, value) + el = table[int(z)] + if value != '-': + #v, dv = parse_uncertainty(value) + #delta = abs(v-el._mass)/el._mass*100 + #from uncertainties import ufloat as U + #if delta > 0.01: + # print(f"{el.number}-{el.symbol} mass changed by {delta:.2f}% to {U(v,dv):fS} from {U(el._mass,el._mass_unc):fS}") + el._mass, el._mass_unc = parse_uncertainty(value) + + #Li_ratio = table.Li[7]._abundance/table.Li[6]._abundance + + # Parse isotope abundance table where lines look like: + # z El element\n iso mass(unc)|[low,high] note ... + # Note: tables modified for Pb, Ar, and N to use 2013 values + z = 0 + value = {} + for line in isotope_abundance.split('\n'): + #print(line) + # New element + if line[0] not in ' \t': + if z: # not the start + #print(f"update z {z}-{table[z]}", value) + el = table[z] + # Find total so we can normalize fractions to sum to one. + # This affects O, Mg, S, Hf by amounts less than the uncertainty. + total = sum(v[0] for k, v in value.items()) + #if abs(total - 1) > 1e-10: print("total deviation for %s is %g"%(el, total-1)) + for z, pair in value.items(): + iso = el[z] + #from uncertainties import ufloat as U + #v, dv = 100*pair[0]/total, 100*pair[1]/total + #delta = abs(v-iso._abundance) + #if delta >= 0.1 and v>1: + # print(f"{el.number}-{el.symbol}-{z} abundance changed by {delta:.2f}% to {U(v,dv):fS} from {U(iso._abundance,iso._abundance_unc):fS}") + + iso._abundance = 100*pair[0]/total + iso._abundance_unc = 100*pair[1]/total + z = int(line.strip().split()[0]) + value = {} + #print(f"new z {z}-{table[z]}")# from <{line}>") + else: + #print(line) + parts = line.strip().split() + #print(parts) + value[int(parts[0])] = parse_uncertainty(parts[1]) + + #new_Li_ratio = table.Li[7]._abundance/table.Li[6]._abundance + #print(f"Li6:Li7 ratio changed from {Li_ratio:.1f} to {new_Li_ratio:.1f}") + + +def print_natural_mass(table=None): + from uncertainties import ufloat as U + table = default_table(table) + for el in table: + iso_mass = [ + U(iso.abundance, iso._abundance_unc)/100*U(iso.mass, iso._mass_unc) + for iso in el if iso.abundance>0] + if iso_mass: + el_mass = U(el.mass, el._mass_unc) + iso_sum = sum(iso_mass) + delta = el_mass - iso_sum + # python 3.6 and above only + if abs(delta.n) > 1e-3 or delta.s/iso_sum.n > 0.01: + print(f"{el.number}-{el}: {el_mass:fS}, sum: {iso_sum:fS}, Δ={delta:fS}") + #print(f"{el.number}-{el}: {delta:fS}") + #print(f"{el.number}-{el}: {el_mass:fS}, sum: {iso_sum:fS}, Δ=") + #print(f"{el.number}-{el}: {delta:fS}") + #print("%d-%s: %s (from sum: %s)"%(el.number, el, str(el_mass), str(iso_sum))) + +def print_abundance(table=None): + table = default_table(table) + for el in table: + abundance = ["%8s %g"%(iso, iso.abundance/100) for iso in el if iso.abundance>0] + if abundance: + print("\n".join(abundance)) + print() + +def check_abundance(table=None): + table = default_table(table) + for el in table: + abundance = [iso.abundance for iso in el if iso.abundance>0] + if abundance: + assert abs(sum(abundance) - 100.0) < 1e-12,\ + "Inconsistent abundance for %d-%s: %g"%(el.number,el,sum(abundance)) + +# Table of masses. +# g Geological and biological materials are known in which the element has an +# isotopic composition outside the limits for normal material. The difference +# between the atomic weight of the element in such materials and that given in +# the table may exceed the stated uncertainty. +# m Modified isotopic compositions may be found in commercially available +# material because the material has been subjected to some undisclosed +# or inadvertent isotopic fractionation. Substantial deviations in atomic +# weight of the element from that given in the table can occur. +# r Range in isotopic composition of normal terrestrial material prevents +# a more precise standard atomic weight being given; the tabulated value +# and uncertainty should be applicable to normal material. +# +# Fractionation ranges have been replaced with the abridged standard weights +# as giving in Prohaska(2022). +# +# CIAAW. Isotopic compositions of the elements 2021. Available online at www.ciaaw.org. +# +# https://www.ciaaw.org/atomic-weights.htm (2023-07-06) + +#Z Symbol Element Standard Atomic Weight Notes +element_mass = """\ +1 H hydrogen 1.0080(2) [1.00784,1.00811] m +2 He helium 4.002602(2) g r +3 Li lithium 6.94(6) [6.938,6.997] m +4 Be beryllium 9.0121831(5) +5 B boron 10.81(2) [10.806,10.821] m +6 C carbon 12.011(2) [12.0096,12.0116] +7 N nitrogen 14.007(1) [14.00643,14.00728] m +8 O oxygen 15.999(1) [15.99903,15.99977] m +9 F fluorine 18.998403162(5) +10 Ne neon 20.1797(6) g m +11 Na sodium 22.98976928(2) +12 Mg magnesium 24.305(2) [24.304,24.307] +13 Al aluminium 26.9815384(3) +14 Si silicon 28.085(1) [28.084,28.086] +15 P phosphorus 30.973761998(5) +16 S sulfur 32.06(2) [32.059,32.076] +17 Cl chlorine 35.45(1) [35.446,35.457] m +18 Ar argon 39.95(16) [39.792,39.963] +19 K potassium 39.0983(1) +20 Ca calcium 40.078(4) g +21 Sc scandium 44.955907(4) +22 Ti titanium 47.867(1) +23 V vanadium 50.9415(1) +24 Cr chromium 51.9961(6) +25 Mn manganese 54.938043(2) +26 Fe iron 55.845(2) +27 Co cobalt 58.933194(3) +28 Ni nickel 58.6934(4) r +29 Cu copper 63.546(3) r +30 Zn zinc 65.38(2) r +31 Ga gallium 69.723(1) +32 Ge germanium 72.630(8) +33 As arsenic 74.921595(6) +34 Se selenium 78.971(8) r +35 Br bromine 79.904(3) [79.901,79.907] +36 Kr krypton 83.798(2) g m +37 Rb rubidium 85.4678(3) g +38 Sr strontium 87.62(1) g r +39 Y yttrium 88.905838(2) +40 Zr zirconium 91.224(2) g +41 Nb niobium 92.90637(1) +42 Mo molybdenum 95.95(1) g +44 Ru ruthenium 101.07(2) g +45 Rh rhodium 102.90549(2) +46 Pd palladium 106.42(1) g +47 Ag silver 107.8682(2) g +48 Cd cadmium 112.414(4) g +49 In indium 114.818(1) +50 Sn tin 118.710(7) g +51 Sb antimony 121.760(1) g +52 Te tellurium 127.60(3) g +53 I iodine 126.90447(3) +54 Xe xenon 131.293(6) g m +55 Cs caesium 132.90545196(6) +56 Ba barium 137.327(7) +57 La lanthanum 138.90547(7) g +58 Ce cerium 140.116(1) g +59 Pr praseodymium 140.90766(1) +60 Nd neodymium 144.242(3) g +62 Sm samarium 150.36(2) g +63 Eu europium 151.964(1) g +64 Gd gadolinium 157.25(3) g +65 Tb terbium 158.925354(7) +66 Dy dysprosium 162.500(1) g +67 Ho holmium 164.930329(5) +68 Er erbium 167.259(3) g +69 Tm thulium 168.934219(5) +70 Yb ytterbium 173.045(10) g +71 Lu lutetium 174.9668(1) g +72 Hf hafnium 178.486(6) g +73 Ta tantalum 180.94788(2) +74 W tungsten 183.84(1) +75 Re rhenium 186.207(1) +76 Os osmium 190.23(3) g +77 Ir iridium 192.217(2) +78 Pt platinum 195.084(9) +79 Au gold 196.966570(4) +80 Hg mercury 200.592(3) +81 Tl thallium 204.38(1) [204.382,204.385] +82 Pb lead 207.2(1.1) [206.14,207.94] +83 Bi bismuth 208.98040(1) +90 Th thorium 232.0377(4) g +91 Pa protactinium 231.03588(1) +92 U uranium 238.02891(3) g m\ +""" + + +# From https://www.ciaaw.org/isotopic-abundances.htm (2023-07-06) +# CIAAW. Isotopic compositions of the elements 2021. Available online at www.ciaaw.org. + +# Nominal values for lead are from Meija (2013) since the natural variation +# given in the 2021 tables are completely unusable. Maybe better to use NaN? +# Similarly nitrogen and argon were chosen to match air rather than average +# terrestrial abundance. +# All other values use midpoint of the range, scaled so that the sum of the +# isotopes equals 100%. + +#Z El element +# isotope Representative isotopic composition Notes +isotope_abundance = """\ +1 H hydrogen + 1 [0.99972,0.99999] m + 2 [0.00001,0.00028] +2 He helium + 3 0.000002(2) g r + 4 0.999998(2) +3 Li lithium + 6 [0.019,0.078] m + 7 [0.922,0.981] +4 Be beryllium + 9 1 +5 B boron + 10 [0.189,0.204] m + 11 [0.796,0.811] +6 C carbon + 12 [0.9884,0.9904] + 13 [0.0096,0.0116] +7 N nitrogen + 14 0.996337(4) [0.99578,0.99663] + 15 0.003663(4) [0.00337,0.00422] +8 O oxygen + 16 [0.99738,0.99776] + 17 [0.000367,0.000400] + 18 [0.00187,0.00222] +9 F fluorine + 19 1 +10 Ne neon + 20 0.9048(3) g m + 21 0.0027(1) + 22 0.0925(3) +11 Na sodium + 23 1 +12 Mg magnesium + 24 [0.7888,0.7905] + 25 [0.09988,0.10034] + 26 [0.1096,0.1109] +13 Al aluminium + 27 1 +14 Si silicon + 28 [0.92191,0.92318] + 29 [0.04645,0.04699] + 30 [0.03037,0.03110] +15 P phosphorus + 31 1 +16 S sulfur + 32 [0.9441,0.9529] + 33 [0.00729,0.00797] + 34 [0.0396,0.0477] + 36 [0.000129,0.000187] +17 Cl chlorine + 35 [0.755,0.761] m + 37 [0.239,0.245] +18 Ar argon + 36 0.0033361(35) [0.0000,0.0207] g r + 38 0.0006289(12) [0.000,0.043] + 40 0.9960350(42) [0.936,1.000] +19 K potassium + 39 0.932581(44) + 40 0.000117(1) + 41 0.067302(44) +20 Ca calcium + 40 0.96941(156) g + 42 0.00647(23) + 43 0.00135(10) + 44 0.02086(110) + 46 0.00004(3) + 48 0.00187(21) +21 Sc scandium + 45 1 +22 Ti titanium + 46 0.0825(3) + 47 0.0744(2) + 48 0.7372(3) + 49 0.0541(2) + 50 0.0518(2) +23 V vanadium + 50 0.00250(10) + 51 0.99750(10) +24 Cr chromium + 50 0.04345(13) + 52 0.83789(18) + 53 0.09501(17) + 54 0.02365(7) +25 Mn manganese + 55 1 +26 Fe iron + 54 0.05845(105) + 56 0.91754(106) + 57 0.02119(29) + 58 0.00282(12) +27 Co cobalt + 59 1 +28 Ni nickel + 58 0.680769(190) r + 60 0.262231(150) + 61 0.011399(13) + 62 0.036345(40) + 64 0.009256(19) +29 Cu copper + 63 0.6915(15) r + 65 0.3085(15) +30 Zn zinc + 64 0.4917(75) r + 66 0.2773(98) + 67 0.0404(16) + 68 0.1845(63) + 70 0.0061(10) +31 Ga gallium + 69 0.60108(50) + 71 0.39892(50) +32 Ge germanium + 70 0.2052(19) + 72 0.2745(15) + 73 0.0776(8) + 74 0.3652(12) + 76 0.0775(12) +33 As arsenic + 75 1 +34 Se selenium + 74 0.0086(3) r + 76 0.0923(7) + 77 0.0760(7) + 78 0.2369(22) + 80 0.4980(36) + 82 0.0882(15) +35 Br bromine + 79 [0.505,0.508] + 81 [0.492,0.495] +36 Kr krypton + 78 0.00355(3) g m + 80 0.02286(10) + 82 0.11593(31) + 83 0.11500(19) + 84 0.56987(15) + 86 0.17279(41) +37 Rb rubidium + 85 0.7217(2) g + 87 0.2783(2) +38 Sr strontium + 84 0.0056(2) g r + 86 0.0986(20) + 87 0.0700(20) + 88 0.8258(35) +39 Y yttrium + 89 1 +40 Zr zirconium + 90 0.5145(4) g + 91 0.1122(5) + 92 0.1715(3) + 94 0.1738(4) + 96 0.0280(2) +41 Nb niobium + 93 1 +42 Mo molybdenum + 92 0.14649(106) g + 94 0.09187(33) + 95 0.15873(30) + 96 0.16673(8) + 97 0.09582(15) + 98 0.24292(80) + 100 0.09744(65) +44 Ru ruthenium + 96 0.0554(14) g + 98 0.0187(3) + 99 0.1276(14) + 100 0.1260(7) + 101 0.1706(2) + 102 0.3155(14) + 104 0.1862(27) +45 Rh rhodium + 103 1 +46 Pd palladium + 102 0.0102(1) g + 104 0.1114(8) + 105 0.2233(8) + 106 0.2733(3) + 108 0.2646(9) + 110 0.1172(9) +47 Ag silver + 107 0.51839(8) g + 109 0.48161(8) +48 Cd cadmium + 106 0.01245(22) g + 108 0.00888(11) + 110 0.12470(61) + 111 0.12795(12) + 112 0.24109(7) + 113 0.12227(7) + 114 0.28754(81) + 116 0.07512(54) +49 In indium + 113 0.04281(52) + 115 0.95719(52) +50 Sn tin + 112 0.0097(1) g + 114 0.0066(1) + 115 0.0034(1) + 116 0.1454(9) + 117 0.0768(7) + 118 0.2422(9) + 119 0.0859(4) + 120 0.3258(9) + 122 0.0463(3) + 124 0.0579(5) +51 Sb antimony + 121 0.5721(5) g + 123 0.4279(5) +52 Te tellurium + 120 0.0009(1) g + 122 0.0255(12) + 123 0.0089(3) + 124 0.0474(14) + 125 0.0707(15) + 126 0.1884(25) + 128 0.3174(8) + 130 0.3408(62) +53 I iodine + 127 1 +54 Xe xenon + 124 0.00095(5) g m + 126 0.00089(3) + 128 0.01910(13) + 129 0.26401(138) + 130 0.04071(22) + 131 0.21232(51) + 132 0.26909(55) + 134 0.10436(35) + 136 0.08857(72) +55 Cs caesium + 133 1 +56 Ba barium + 130 0.0011(1) + 132 0.0010(1) + 134 0.0242(15) + 135 0.0659(10) + 136 0.0785(24) + 137 0.1123(23) + 138 0.7170(29) +57 La lanthanum + 138 0.0008881(71) g + 139 0.9991119(71) +58 Ce cerium + 136 0.00185(2) g + 138 0.00251(2) + 140 0.88450(51) + 142 0.11114(51) +59 Pr praseodymium + 141 1 +60 Nd neodymium + 142 0.27152(40) g + 143 0.12174(26) + 144 0.23798(19) + 145 0.08293(12) + 146 0.17189(32) + 148 0.05756(21) + 150 0.05638(28) +62 Sm samarium + 144 0.0308(4) g + 147 0.1500(14) + 148 0.1125(9) + 149 0.1382(10) + 150 0.0737(9) + 152 0.2674(9) + 154 0.2274(14) +63 Eu europium + 151 0.4781(6) g + 153 0.5219(6) +64 Gd gadolinium + 152 0.0020(3) g + 154 0.0218(2) + 155 0.1480(9) + 156 0.2047(3) + 157 0.1565(4) + 158 0.2484(8) + 160 0.2186(3) +65 Tb terbium + 159 1 +66 Dy dysprosium + 156 0.00056(3) g + 158 0.00095(3) + 160 0.02329(18) + 161 0.18889(42) + 162 0.25475(36) + 163 0.24896(42) + 164 0.28260(54) +67 Ho holmium + 165 1 +68 Er erbium + 162 0.00139(5) g + 164 0.01601(3) + 166 0.33503(36) + 167 0.22869(9) + 168 0.26978(18) + 170 0.14910(36) +69 Tm thulium + 169 1 +70 Yb ytterbium + 168 0.00126(1) g + 170 0.03023(2) + 171 0.14216(7) + 172 0.21754(10) + 173 0.16098(9) + 174 0.31896(26) + 176 0.12887(30) +71 Lu lutetium + 175 0.97401(13) g + 176 0.02599(13) +72 Hf hafnium + 174 0.00161(2) g + 176 0.0524(14) + 177 0.1858(9) + 178 0.2728(6) + 179 0.1363(3) + 180 0.3512(16) +73 Ta tantalum + 180 0.0001176(23) + 181 0.9998824(23) +74 W tungsten + 180 0.0012(1) + 182 0.2650(16) + 183 0.1431(4) + 184 0.3064(2) + 186 0.2843(19) +75 Re rhenium + 185 0.3740(5) + 187 0.6260(5) +76 Os osmium + 184 0.0002(2) g + 186 0.0159(64) + 187 0.0196(17) + 188 0.1324(27) + 189 0.1615(23) + 190 0.2626(20) + 192 0.4078(32) +77 Ir iridium + 191 0.3723(9) + 193 0.6277(9) +78 Pt platinum + 190 0.00012(2) + 192 0.00782(24) + 194 0.32864(410) + 195 0.33775(240) + 196 0.25211(340) + 198 0.07356(130) +79 Au gold + 197 1 +80 Hg mercury + 196 0.0015(1) + 198 0.1004(3) + 199 0.1694(12) + 200 0.2314(9) + 201 0.1317(9) + 202 0.2974(13) + 204 0.0682(4) +81 Tl thallium + 203 [0.2944,0.2959] + 205 [0.7041,0.7056] +82 Pb lead + 204 0.014(6) [0.0000,0.0158] + 206 0.241(30) [0.0190,0.8673] + 207 0.221(50) [0.0035,0.2351] + 208 0.524(70) [0.0338,0.9775] +83 Bi bismuth + 209 1 +90 Th thorium + 230 0.0002(2) g + 232 0.9998(2) +91 Pa protactinium + 231 1 +92 U uranium + 234 0.000054(5) g m + 235 0.007204(6) + 238 0.992742(10)\ +""" + + +# Table of isotope masses from Wang(2021). The mass uncertainties have been rounded to one +# or two digits, but trailing zeros remain. Hashes `#` after mass(unc.) indicate +# values which are not solely derived from experiment, see the paper for details. +# Atomic weights and isotope ratios come from Coursey(?) downloaded c. 2010. +# These are ignored, and will be replaced by the IUPAC CIAAW values from 2021. +# Meng Wang et al. (2021) Chinese Phys. C 45 030003 +# DOI:10.1088/1674-1137/abddaf +# Coursey. J. S., Schwab. D. J., and Dragoset. R. A., NIST, +# Physics Laboratory, Office of Electronic Commerce in Scientific +# and Engineering Data. -massdata = """\ -1-H-1,1.0078250321(4),99.9885(70),1.00794(7) -1-H-2,2.0141017780(4),0.0115(70),1.00794(7) -1-H-3,3.0160492675(11),,1.00794(7) -1-H-4,4.02783(12),,1.00794(7) -1-H-5,5.03954(102),,1.00794(7) -1-H-6,6.04494(28),,1.00794(7) -2-He-3,3.0160293097(9),0.000137(3),4.002602(2) -2-He-4,4.0026032497(10),99.999863(3),4.002602(2) -2-He-5,5.012220(50),,4.002602(2) -2-He-6,6.0188881(11),,4.002602(2) -2-He-7,7.028030(30),,4.002602(2) -2-He-8,8.033922(8),,4.002602(2) -2-He-9,9.043820(70),,4.002602(2) -2-He-10,10.052400(80),,4.002602(2) -3-Li-4,4.02718(23),,6.941(2) -3-Li-5,5.012540(50),,6.941(2) -3-Li-6,6.0151223(5),7.59(4),6.941(2) -3-Li-7,7.0160040(5),92.41(4),6.941(2) -3-Li-8,8.0224867(5),,6.941(2) -3-Li-9,9.0267891(21),,6.941(2) -3-Li-10,10.035481(16),,6.941(2) -3-Li-11,11.043796(29),,6.941(2) -3-Li-12,12.05378(107)#,,6.941(2) -4-Be-5,5.04079(429)#,,9.012182(3) -4-Be-6,6.019726(6),,9.012182(3) -4-Be-7,7.0169292(5),,9.012182(3) -4-Be-8,8.00530509(4),,9.012182(3) -4-Be-9,9.0121821(4),100,9.012182(3) -4-Be-10,10.0135337(4),,9.012182(3) -4-Be-11,11.021658(7),,9.012182(3) -4-Be-12,12.026921(16),,9.012182(3) -4-Be-13,13.03613(54),,9.012182(3) -4-Be-14,14.04282(12),,9.012182(3) -5-B-7,7.029920(80),,10.811(7) -5-B-8,8.0246067(12),,10.811(7) -5-B-9,9.0133288(11),,10.811(7) -5-B-10,10.0129370(4),19.9(7),10.811(7) -5-B-11,11.0093055(5),80.1(7),10.811(7) -5-B-12,12.0143521(15),,10.811(7) -5-B-13,13.0177803(12),,10.811(7) -5-B-14,14.025404(23),,10.811(7) -5-B-15,15.031097(24),,10.811(7) -5-B-16,16.039810(60),,10.811(7) -5-B-17,17.04693(15),,10.811(7) -5-B-18,18.05617(86)#,,10.811(7) -5-B-19,19.06373(43)#,,10.811(7) -6-C-8,8.037675(25),,12.0107(8) -6-C-9,9.0310401(23),,12.0107(8) -6-C-10,10.0168531(4),,12.0107(8) -6-C-11,11.0114338(10),,12.0107(8) -6-C-12,12.0000000(0),98.93(8),12.0107(8) -6-C-13,13.0033548378(10),1.07(8),12.0107(8) -6-C-14,14.003241988(4),,12.0107(8) -6-C-15,15.0105993(9),,12.0107(8) -6-C-16,16.014701(4),,12.0107(8) -6-C-17,17.022584(19),,12.0107(8) -6-C-18,18.026760(30),,12.0107(8) -6-C-19,19.03525(12),,12.0107(8) -6-C-20,20.04032(22),,12.0107(8) -6-C-21,21.04934(54)#,,12.0107(8) -6-C-22,22.05645(97)#,,12.0107(8) -7-N-10,10.04262(43)#,,14.0067(2) -7-N-11,11.02680(19),,14.0067(2) -7-N-12,12.0186132(11),,14.0067(2) -7-N-13,13.00573858(29),,14.0067(2) -7-N-14,14.0030740052(9),99.632(7),14.0067(2) -7-N-15,15.0001088984(9),0.368(7),14.0067(2) -7-N-16,16.0061014(28),,14.0067(2) -7-N-17,17.008450(16),,14.0067(2) -7-N-18,18.014082(21),,14.0067(2) -7-N-19,19.017027(18),,14.0067(2) -7-N-20,20.023370(60),,14.0067(2) -7-N-21,21.02709(10),,14.0067(2) -7-N-22,22.03444(21),,14.0067(2) -7-N-23,23.04051(76)#,,14.0067(2) -7-N-24,24.05050(54)#,,14.0067(2) -8-O-12,12.034405(20),,15.9994(3) -8-O-13,13.024810(10),,15.9994(3) -8-O-14,14.00859529(8),,15.9994(3) -8-O-15,15.0030654(5),,15.9994(3) -8-O-16,15.9949146221(15),99.757(16),15.9994(3) -8-O-17,16.99913150(22),0.038(1),15.9994(3) -8-O-18,17.9991604(9),0.205(14),15.9994(3) -8-O-19,19.003579(3),,15.9994(3) -8-O-20,20.0040762(13),,15.9994(3) -8-O-21,21.008655(13),,15.9994(3) -8-O-22,22.009970(60),,15.9994(3) -8-O-23,23.01569(11),,15.9994(3) -8-O-24,24.02037(33),,15.9994(3) -8-O-25,25.02914(40)#,,15.9994(3) -8-O-26,26.03775(46)#,,15.9994(3) -9-F-14,14.03608(43)#,,18.9984032(5) -9-F-15,15.01801(14),,18.9984032(5) -9-F-16,16.011466(9),,18.9984032(5) -9-F-17,17.00209524(27),,18.9984032(5) -9-F-18,18.0009377(6),,18.9984032(5) -9-F-19,18.99840320(7),100,18.9984032(5) -9-F-20,19.99998132(9),,18.9984032(5) -9-F-21,20.9999489(19),,18.9984032(5) -9-F-22,22.002999(13),,18.9984032(5) -9-F-23,23.003570(90),,18.9984032(5) -9-F-24,24.008100(70),,18.9984032(5) -9-F-25,25.012090(80),,18.9984032(5) -9-F-26,26.01963(13),,18.9984032(5) -9-F-27,27.02689(45),,18.9984032(5) -9-F-28,28.03567(55)#,,18.9984032(5) -9-F-29,29.04326(62)#,,18.9984032(5) -10-Ne-16,16.025757(22),,20.1797(6) -10-Ne-17,17.017700(50),,20.1797(6) -10-Ne-18,18.0056971(16),,20.1797(6) -10-Ne-19,19.0018798(6),,20.1797(6) -10-Ne-20,19.9924401759(20),90.48(3),20.1797(6) -10-Ne-21,20.99384674(4),0.27(1),20.1797(6) -10-Ne-22,21.99138551(23),9.25(3),20.1797(6) -10-Ne-23,22.99446734(26),,20.1797(6) -10-Ne-24,23.993615(11),,20.1797(6) -10-Ne-25,24.997790(50),,20.1797(6) -10-Ne-26,26.000460(60),,20.1797(6) -10-Ne-27,27.00762(10),,20.1797(6) -10-Ne-28,28.01211(12),,20.1797(6) -10-Ne-29,29.01935(32),,20.1797(6) -10-Ne-30,30.02387(88),,20.1797(6) -10-Ne-31,31.03311(97)#,,20.1797(6) -10-Ne-32,32.03991(94)#,,20.1797(6) -11-Na-18,18.02718(43)#,,22.989770(2) -11-Na-19,19.013879(13),,22.989770(2) -11-Na-20,20.007348(7),,22.989770(2) -11-Na-21,20.9976551(8),,22.989770(2) -11-Na-22,21.9944368(5),,22.989770(2) -11-Na-23,22.98976967(23),100,22.989770(2) -11-Na-24,23.99096333(23),,22.989770(2) -11-Na-25,24.9899544(13),,22.989770(2) -11-Na-26,25.992590(15),,22.989770(2) -11-Na-27,26.994010(40),,22.989770(2) -11-Na-28,27.998890(80),,22.989770(2) -11-Na-29,29.00281(10),,22.989770(2) -11-Na-30,30.00923(10),,22.989770(2) -11-Na-31,31.01360(18),,22.989770(2) -11-Na-32,32.01965(52),,22.989770(2) -11-Na-33,33.02739(160),,22.989770(2) -11-Na-34,34.03490(113)#,,22.989770(2) -11-Na-35,35.04418(166)#,,22.989770(2) -12-Mg-20,20.018863(29),,24.3050(6) -12-Mg-21,21.011714(18),,24.3050(6) -12-Mg-22,21.9995741(15),,24.3050(6) -12-Mg-23,22.9941249(13),,24.3050(6) -12-Mg-24,23.98504190(20),78.99(4),24.3050(6) -12-Mg-25,24.98583702(20),10.00(1),24.3050(6) -12-Mg-26,25.98259304(21),11.01(3),24.3050(6) -12-Mg-27,26.98434074(21),,24.3050(6) -12-Mg-28,27.9838767(22),,24.3050(6) -12-Mg-29,28.988550(30),,24.3050(6) -12-Mg-30,29.990460(70),,24.3050(6) -12-Mg-31,30.996550(80),,24.3050(6) -12-Mg-32,31.99915(10),,24.3050(6) -12-Mg-33,33.00559(16),,24.3050(6) -12-Mg-34,34.00907(28),,24.3050(6) -12-Mg-35,35.01749(47)#,,24.3050(6) -12-Mg-36,36.02245(97)#,,24.3050(6) -12-Mg-37,37.03124(97)#,,24.3050(6) -13-Al-21,21.02804(32)#,,26.981538(2) -13-Al-22,22.01952(10)#,,26.981538(2) -13-Al-23,23.007265(27),,26.981538(2) -13-Al-24,23.999941(4),,26.981538(2) -13-Al-25,24.9904286(7),,26.981538(2) -13-Al-26,25.98689166(21),,26.981538(2) -13-Al-27,26.98153844(14),100,26.981538(2) -13-Al-28,27.98191018(15),,26.981538(2) -13-Al-29,28.9804448(13),,26.981538(2) -13-Al-30,29.982960(15),,26.981538(2) -13-Al-31,30.983946(22),,26.981538(2) -13-Al-32,31.988120(90),,26.981538(2) -13-Al-33,32.990870(70),,26.981538(2) -13-Al-34,33.99693(10),,26.981538(2) -13-Al-35,34.99994(15),,26.981538(2) -13-Al-36,36.00635(29),,26.981538(2) -13-Al-37,37.01031(58),,26.981538(2) -13-Al-38,38.01690(60)#,,26.981538(2) -13-Al-39,39.02190(64)#,,26.981538(2) -14-Si-22,22.03453(22)#,,28.0855(3) -14-Si-23,23.02552(21)#,,28.0855(3) -14-Si-24,24.011546(21),,28.0855(3) -14-Si-25,25.004107(11),,28.0855(3) -14-Si-26,25.992330(3),,28.0855(3) -14-Si-27,26.98670476(17),,28.0855(3) -14-Si-28,27.9769265327(20),92.2297(7),28.0855(3) -14-Si-29,28.97649472(3),4.6832(5),28.0855(3) -14-Si-30,29.97377022(5),3.0872(5),28.0855(3) -14-Si-31,30.97536327(7),,28.0855(3) -14-Si-32,31.9741481(23),,28.0855(3) -14-Si-33,32.978001(17),,28.0855(3) -14-Si-34,33.978576(15),,28.0855(3) -14-Si-35,34.984580(40),,28.0855(3) -14-Si-36,35.98669(11),,28.0855(3) -14-Si-37,36.99300(13),,28.0855(3) -14-Si-38,37.99598(29),,28.0855(3) -14-Si-39,39.00230(43)#,,28.0855(3) -14-Si-40,40.00580(54)#,,28.0855(3) -14-Si-41,41.01270(64)#,,28.0855(3) -14-Si-42,42.01610(75)#,,28.0855(3) -15-P-24,24.03435(54)#,,30.973761(2) -15-P-25,25.02026(21)#,,30.973761(2) -15-P-26,26.01178(21)#,,30.973761(2) -15-P-27,26.999190(40),,30.973761(2) -15-P-28,27.992312(4),,30.973761(2) -15-P-29,28.9818014(8),,30.973761(2) -15-P-30,29.9783138(4),,30.973761(2) -15-P-31,30.97376151(20),100,30.973761(2) -15-P-32,31.97390716(20),,30.973761(2) -15-P-33,32.9717253(12),,30.973761(2) -15-P-34,33.973636(5),,30.973761(2) -15-P-35,34.9733142(20),,30.973761(2) -15-P-36,35.978260(14),,30.973761(2) -15-P-37,36.979610(40),,30.973761(2) -15-P-38,37.98447(15),,30.973761(2) -15-P-39,38.98642(16),,30.973761(2) -15-P-40,39.99105(21),,30.973761(2) -15-P-41,40.99480(50),,30.973761(2) -15-P-42,42.00009(54)#,,30.973761(2) -15-P-43,43.00331(54)#,,30.973761(2) -15-P-44,44.00988(75)#,,30.973761(2) -15-P-45,45.01514(86)#,,30.973761(2) -15-P-46,46.02383(97)#,,30.973761(2) -16-S-26,26.02788(32)#,,32.065(5) -16-S-27,27.01880(22)#,,32.065(5) -16-S-28,28.00437(17),,32.065(5) -16-S-29,28.996610(50),,32.065(5) -16-S-30,29.984903(3),,32.065(5) -16-S-31,30.9795544(16),,32.065(5) -16-S-32,31.97207069(12),94.93(31),32.065(5) -16-S-33,32.97145850(12),0.76(2),32.065(5) -16-S-34,33.96786683(11),4.29(28),32.065(5) -16-S-35,34.96903214(10),,32.065(5) -16-S-36,35.96708088(25),0.02(1),32.065(5) -16-S-37,36.97112572(27),,32.065(5) -16-S-38,37.971163(8),,32.065(5) -16-S-39,38.975140(50),,32.065(5) -16-S-40,39.97547(25),,32.065(5) -16-S-41,40.98003(23),,32.065(5) -16-S-42,41.98149(35),,32.065(5) -16-S-43,42.98660(90),,32.065(5) -16-S-44,43.98832(54)#,,32.065(5) -16-S-45,44.99482(64)#,,32.065(5) -16-S-46,45.99957(75)#,,32.065(5) -16-S-47,47.00762(86)#,,32.065(5) -16-S-48,48.01299(97)#,,32.065(5) -16-S-49,49.02201(107)#,,32.065(5) -17-Cl-28,28.02851(54)#,,35.453(2) -17-Cl-29,29.01411(21)#,,35.453(2) -17-Cl-30,30.00477(21)#,,35.453(2) -17-Cl-31,30.992420(50),,35.453(2) -17-Cl-32,31.985689(7),,35.453(2) -17-Cl-33,32.9774518(6),,35.453(2) -17-Cl-34,33.97376197(13),,35.453(2) -17-Cl-35,34.96885271(4),75.78(4),35.453(2) -17-Cl-36,35.96830695(8),,35.453(2) -17-Cl-37,36.96590260(5),24.22(4),35.453(2) -17-Cl-38,37.96801055(12),,35.453(2) -17-Cl-39,38.9680077(19),,35.453(2) -17-Cl-40,39.970420(30),,35.453(2) -17-Cl-41,40.970650(70),,35.453(2) -17-Cl-42,41.97317(12),,35.453(2) -17-Cl-43,42.97420(17),,35.453(2) -17-Cl-44,43.97854(24),,35.453(2) -17-Cl-45,44.97970(70),,35.453(2) -17-Cl-46,45.98412(54)#,,35.453(2) -17-Cl-47,46.98795(64)#,,35.453(2) -17-Cl-48,47.99485(75)#,,35.453(2) -17-Cl-49,48.99989(86)#,,35.453(2) -17-Cl-50,50.00773(97)#,,35.453(2) -17-Cl-51,51.01353(107)#,,35.453(2) -18-Ar-30,30.02156(32)#,,39.948(1) -18-Ar-31,31.01213(22)#,,39.948(1) -18-Ar-32,31.997660(50),,39.948(1) -18-Ar-33,32.989930(30),,39.948(1) -18-Ar-34,33.980270(3),,39.948(1) -18-Ar-35,34.9752567(8),,39.948(1) -18-Ar-36,35.96754628(27),0.3365(30),39.948(1) -18-Ar-37,36.9667759(3),,39.948(1) -18-Ar-38,37.9627322(5),0.0632(5),39.948(1) -18-Ar-39,38.964313(5),,39.948(1) -18-Ar-40,39.962383123(3),99.6003(30),39.948(1) -18-Ar-41,40.9645008(7),,39.948(1) -18-Ar-42,41.963050(40),,39.948(1) -18-Ar-43,42.965670(80),,39.948(1) -18-Ar-44,43.965365(22),,39.948(1) -18-Ar-45,44.968090(60),,39.948(1) -18-Ar-46,45.968090(40),,39.948(1) -18-Ar-47,46.97219(11),,39.948(1) -18-Ar-48,47.97507(32)#,,39.948(1) -18-Ar-49,48.98218(54)#,,39.948(1) -18-Ar-50,49.98594(75)#,,39.948(1) -18-Ar-51,50.99324(75)#,,39.948(1) -18-Ar-52,51.99817(97)#,,39.948(1) -18-Ar-53,53.00623(107)#,,39.948(1) -19-K-32,32.02192(54)#,,39.0983(1) -19-K-33,33.00726(21)#,,39.0983(1) -19-K-34,33.99841(32)#,,39.0983(1) -19-K-35,34.988012(21),,39.0983(1) -19-K-36,35.981293(8),,39.0983(1) -19-K-37,36.97337691(29),,39.0983(1) -19-K-38,37.9690801(8),,39.0983(1) -19-K-39,38.9637069(3),93.2581(44),39.0983(1) -19-K-40,39.96399867(29),0.0117(1),39.0983(1) -19-K-41,40.96182597(28),6.7302(44),39.0983(1) -19-K-42,41.9624031(3),,39.0983(1) -19-K-43,42.960716(10),,39.0983(1) -19-K-44,43.961560(40),,39.0983(1) -19-K-45,44.960700(11),,39.0983(1) -19-K-46,45.961976(17),,39.0983(1) -19-K-47,46.961678(9),,39.0983(1) -19-K-48,47.965513(26),,39.0983(1) -19-K-49,48.967450(80),,39.0983(1) -19-K-50,49.97278(30),,39.0983(1) -19-K-51,50.97638(54)#,,39.0983(1) -19-K-52,51.98261(75)#,,39.0983(1) -19-K-53,52.98712(75)#,,39.0983(1) -19-K-54,53.99399(97)#,,39.0983(1) -19-K-55,54.99939(107)#,,39.0983(1) -20-Ca-34,34.01412(32)#,,40.078(4) -20-Ca-35,35.004770(70)#,,40.078(4) -20-Ca-36,35.993090(40),,40.078(4) -20-Ca-37,36.985872(24),,40.078(4) -20-Ca-38,37.976319(5),,40.078(4) -20-Ca-39,38.9707177(19),,40.078(4) -20-Ca-40,39.9625912(3),96.941(156),40.078(4) -20-Ca-41,40.9622783(4),,40.078(4) -20-Ca-42,41.9586183(4),0.647(23),40.078(4) -20-Ca-43,42.9587668(5),0.135(10),40.078(4) -20-Ca-44,43.9554811(9),2.086(110),40.078(4) -20-Ca-45,44.9561859(10),,40.078(4) -20-Ca-46,45.9536928(25),0.004(3),40.078(4) -20-Ca-47,46.9545465(25),,40.078(4) -20-Ca-48,47.952534(4),0.187(21),40.078(4) -20-Ca-49,48.955673(4),,40.078(4) -20-Ca-50,49.957518(10),,40.078(4) -20-Ca-51,50.96147(10),,40.078(4) -20-Ca-52,51.96510(50),,40.078(4) -20-Ca-53,52.97005(54)#,,40.078(4) -20-Ca-54,53.97468(75)#,,40.078(4) -20-Ca-55,54.98055(75)#,,40.078(4) -20-Ca-56,55.98579(97)#,,40.078(4) -20-Ca-57,56.99236(107)#,,40.078(4) -21-Sc-36,36.01492(54)#,,44.955910(8) -21-Sc-37,37.00305(32)#,,44.955910(8) -21-Sc-38,37.99470(32)#,,44.955910(8) -21-Sc-39,38.984790(26),,44.955910(8) -21-Sc-40,39.977964(4),,44.955910(8) -21-Sc-41,40.9692513(3),,44.955910(8) -21-Sc-42,41.9655168(4),,44.955910(8) -21-Sc-43,42.9611510(20),,44.955910(8) -21-Sc-44,43.9594030(19),,44.955910(8) -21-Sc-45,44.9559102(12),100,44.955910(8) -21-Sc-46,45.9551703(12),,44.955910(8) -21-Sc-47,46.9524080(22),,44.955910(8) -21-Sc-48,47.952235(6),,44.955910(8) -21-Sc-49,48.950024(4),,44.955910(8) -21-Sc-50,49.952187(17),,44.955910(8) -21-Sc-51,50.953603(22),,44.955910(8) -21-Sc-52,51.95665(25),,44.955910(8) -21-Sc-53,52.95924(32)#,,44.955910(8) -21-Sc-54,53.96300(50),,44.955910(8) -21-Sc-55,54.96743(110)#,,44.955910(8) -21-Sc-56,55.97266(75)#,,44.955910(8) -21-Sc-57,56.97704(75)#,,44.955910(8) -21-Sc-58,57.98307(86)#,,44.955910(8) -21-Sc-59,58.98804(97)#,,44.955910(8) -22-Ti-38,38.00977(27)#,,47.867(1) -22-Ti-39,39.00132(11)#,,47.867(1) -22-Ti-40,39.99050(17),,47.867(1) -22-Ti-41,40.983130(40)#,,47.867(1) -22-Ti-42,41.973032(6),,47.867(1) -22-Ti-43,42.968523(7),,47.867(1) -22-Ti-44,43.9596902(8),,47.867(1) -22-Ti-45,44.9581243(13),,47.867(1) -22-Ti-46,45.9526295(12),8.25(3),47.867(1) -22-Ti-47,46.9517638(10),7.44(2),47.867(1) -22-Ti-48,47.9479471(10),73.72(3),47.867(1) -22-Ti-49,48.9478708(10),5.41(2),47.867(1) -22-Ti-50,49.9447921(11),5.18(2),47.867(1) -22-Ti-51,50.9466160(14),,47.867(1) -22-Ti-52,51.946898(8),,47.867(1) -22-Ti-53,52.94973(11),,47.867(1) -22-Ti-54,53.95087(25),,47.867(1) -22-Ti-55,54.95512(26),,47.867(1) -22-Ti-56,55.95799(30),,47.867(1) -22-Ti-57,56.96290(100)#,,47.867(1) -22-Ti-58,57.96611(75)#,,47.867(1) -22-Ti-59,58.97196(75)#,,47.867(1) -22-Ti-60,59.97564(86)#,,47.867(1) -22-Ti-61,60.98202(97)#,,47.867(1) -23-V-40,40.01109(54)#,,50.9415(1) -23-V-41,40.99974(27)#,,50.9415(1) -23-V-42,41.99123(21)#,,50.9415(1) -23-V-43,42.98065(25)#,,50.9415(1) -23-V-44,43.974400(90)#,,50.9415(1) -23-V-45,44.965782(18),,50.9415(1) -23-V-46,45.9601995(16),,50.9415(1) -23-V-47,46.9549069(12),,50.9415(1) -23-V-48,47.9522545(28),,50.9415(1) -23-V-49,48.9485169(14),,50.9415(1) -23-V-50,49.9471628(14),0.250(4),50.9415(1) -23-V-51,50.9439637(14),99.750(4),50.9415(1) -23-V-52,51.9447797(14),,50.9415(1) -23-V-53,52.944343(4),,50.9415(1) -23-V-54,53.946444(16),,50.9415(1) -23-V-55,54.94724(11),,50.9415(1) -23-V-56,55.95036(26),,50.9415(1) -23-V-57,56.95236(27),,50.9415(1) -23-V-58,57.95665(28),,50.9415(1) -23-V-59,58.95930(35),,50.9415(1) -23-V-60,59.96450(60),,50.9415(1) -23-V-61,60.96741(75)#,,50.9415(1) -23-V-62,61.97314(75)#,,50.9415(1) -23-V-63,62.97675(97)#,,50.9415(1) -24-Cr-42,42.00643(32)#,,51.9961(6) -24-Cr-43,42.997710(90)#,,51.9961(6) -24-Cr-44,43.98547(14)#,,51.9961(6) -24-Cr-45,44.97916(11)#,,51.9961(6) -24-Cr-46,45.968362(22),,51.9961(6) -24-Cr-47,46.962907(15),,51.9961(6) -24-Cr-48,47.954036(8),,51.9961(6) -24-Cr-49,48.9513411(28),,51.9961(6) -24-Cr-50,49.9460496(14),4.345(13),51.9961(6) -24-Cr-51,50.9447718(14),,51.9961(6) -24-Cr-52,51.9405119(15),83.789(18),51.9961(6) -24-Cr-53,52.9406538(15),9.501(17),51.9961(6) -24-Cr-54,53.9388849(15),2.365(7),51.9961(6) -24-Cr-55,54.9408442(16),,51.9961(6) -24-Cr-56,55.940645(10),,51.9961(6) -24-Cr-57,56.94375(10),,51.9961(6) -24-Cr-58,57.94425(26),,51.9961(6) -24-Cr-59,58.94863(27),,51.9961(6) -24-Cr-60,59.94973(28),,51.9961(6) -24-Cr-61,60.95409(30),,51.9961(6) -24-Cr-62,61.95580(40),,51.9961(6) -24-Cr-63,62.96186(75)#,,51.9961(6) -24-Cr-64,63.96420(75)#,,51.9961(6) -24-Cr-65,64.97037(97)#,,51.9961(6) -25-Mn-44,44.00687(54)#,,54.938049(9) -25-Mn-45,44.99451(32)#,,54.938049(9) -25-Mn-46,45.98672(12)#,,54.938049(9) -25-Mn-47,46.97610(17)#,,54.938049(9) -25-Mn-48,47.968870(80)#,,54.938049(9) -25-Mn-49,48.959623(26),,54.938049(9) -25-Mn-50,49.9542440(15),,54.938049(9) -25-Mn-51,50.9482155(14),,54.938049(9) -25-Mn-52,51.9455701(25),,54.938049(9) -25-Mn-53,52.9412947(15),,54.938049(9) -25-Mn-54,53.9403632(18),,54.938049(9) -25-Mn-55,54.9380496(14),100,54.938049(9) -25-Mn-56,55.9389094(15),,54.938049(9) -25-Mn-57,56.938287(4),,54.938049(9) -25-Mn-58,57.939990(30),,54.938049(9) -25-Mn-59,58.940450(30),,54.938049(9) -25-Mn-60,59.94319(29),,54.938049(9) -25-Mn-61,60.94446(28),,54.938049(9) -25-Mn-62,61.94797(28),,54.938049(9) -25-Mn-63,62.94981(30),,54.938049(9) -25-Mn-64,63.95373(35),,54.938049(9) -25-Mn-65,64.95610(60),,54.938049(9) -25-Mn-66,65.96082(75)#,,54.938049(9) -25-Mn-67,66.96382(86)#,,54.938049(9) -26-Fe-45,45.01456(43)#,,55.845(2) -26-Fe-46,46.00081(38)#,,55.845(2) -26-Fe-47,46.99289(28)#,,55.845(2) -26-Fe-48,47.98056(11)#,,55.845(2) -26-Fe-49,48.97361(17)#,,55.845(2) -26-Fe-50,49.962990(60),,55.845(2) -26-Fe-51,50.956825(16),,55.845(2) -26-Fe-52,51.948117(11),,55.845(2) -26-Fe-53,52.9453123(23),,55.845(2) -26-Fe-54,53.9396148(14),5.845(35),55.845(2) -26-Fe-55,54.9382980(14),,55.845(2) -26-Fe-56,55.9349421(15),91.754(36),55.845(2) -26-Fe-57,56.9353987(15),2.119(10),55.845(2) -26-Fe-58,57.9332805(15),0.282(4),55.845(2) -26-Fe-59,58.9348805(15),,55.845(2) -26-Fe-60,59.934077(4),,55.845(2) -26-Fe-61,60.936749(22),,55.845(2) -26-Fe-62,61.936770(16),,55.845(2) -26-Fe-63,62.94012(20),,55.845(2) -26-Fe-64,63.94087(30),,55.845(2) -26-Fe-65,64.94494(30),,55.845(2) -26-Fe-66,65.94598(35),,55.845(2) -26-Fe-67,66.95000(50),,55.845(2) -26-Fe-68,67.95251(75)#,,55.845(2) -26-Fe-69,68.95770(86)#,,55.845(2) -27-Co-48,48.00176(43)#,,58.933200(9) -27-Co-49,48.98972(28)#,,58.933200(9) -27-Co-50,49.98154(18)#,,58.933200(9) -27-Co-51,50.97072(16)#,,58.933200(9) -27-Co-52,51.963590(70)#,,58.933200(9) -27-Co-53,52.954225(19),,58.933200(9) -27-Co-54,53.9484641(14),,58.933200(9) -27-Co-55,54.9420031(15),,58.933200(9) -27-Co-56,55.9398439(26),,58.933200(9) -27-Co-57,56.9362962(15),,58.933200(9) -27-Co-58,57.9357576(19),,58.933200(9) -27-Co-59,58.9332002(15),100,58.933200(9) -27-Co-60,59.9338222(15),,58.933200(9) -27-Co-61,60.9324794(17),,58.933200(9) -27-Co-62,61.934054(22),,58.933200(9) -27-Co-63,62.933615(22),,58.933200(9) -27-Co-64,63.935814(22),,58.933200(9) -27-Co-65,64.936485(14),,58.933200(9) -27-Co-66,65.93983(29),,58.933200(9) -27-Co-67,66.94061(30),,58.933200(9) -27-Co-68,67.94436(35),,58.933200(9) -27-Co-69,68.94520(40),,58.933200(9) -27-Co-70,69.94981(75)#,,58.933200(9) -27-Co-71,70.95173(86)#,,58.933200(9) -27-Co-72,71.95641(86)#,,58.933200(9) -28-Ni-50,49.99593(28)#,,58.6934(2) -28-Ni-51,50.98772(28)#,,58.6934(2) -28-Ni-52,51.975680(90)#,,58.6934(2) -28-Ni-53,52.96846(17)#,,58.6934(2) -28-Ni-54,53.957910(50),,58.6934(2) -28-Ni-55,54.951336(12),,58.6934(2) -28-Ni-56,55.942136(12),,58.6934(2) -28-Ni-57,56.939800(3),,58.6934(2) -28-Ni-58,57.9353479(15),68.0769(89),58.6934(2) -28-Ni-59,58.9343516(15),,58.6934(2) -28-Ni-60,59.9307906(15),26.2231(77),58.6934(2) -28-Ni-61,60.9310604(15),1.1399(6),58.6934(2) -28-Ni-62,61.9283488(15),3.6345(17),58.6934(2) -28-Ni-63,62.9296729(15),,58.6934(2) -28-Ni-64,63.9279696(16),0.9256(9),58.6934(2) -28-Ni-65,64.9300880(16),,58.6934(2) -28-Ni-66,65.929115(17),,58.6934(2) -28-Ni-67,66.931570(20),,58.6934(2) -28-Ni-68,67.931845(18),,58.6934(2) -28-Ni-69,68.93518(15),,58.6934(2) -28-Ni-70,69.93614(35),,58.6934(2) -28-Ni-71,70.94000(40),,58.6934(2) -28-Ni-72,71.94130(50),,58.6934(2) -28-Ni-73,72.94608(64)#,,58.6934(2) -28-Ni-74,73.94791(75)#,,58.6934(2) -28-Ni-75,74.95297(86)#,,58.6934(2) -28-Ni-76,75.95533(97)#,,58.6934(2) -28-Ni-77,76.96083(107)#,,58.6934(2) -28-Ni-78,77.96380(118)#,,58.6934(2) -29-Cu-52,51.99718(28)#,,63.546(3) -29-Cu-53,52.98555(28)#,,63.546(3) -29-Cu-54,53.97671(23)#,,63.546(3) -29-Cu-55,54.96605(32)#,,63.546(3) -29-Cu-56,55.95856(15)#,,63.546(3) -29-Cu-57,56.949216(17),,63.546(3) -29-Cu-58,57.9445407(27),,63.546(3) -29-Cu-59,58.9395041(18),,63.546(3) -29-Cu-60,59.9373681(27),,63.546(3) -29-Cu-61,60.9334622(19),,63.546(3) -29-Cu-62,61.932587(4),,63.546(3) -29-Cu-63,62.9296011(15),69.17(3),63.546(3) -29-Cu-64,63.9297679(15),,63.546(3) -29-Cu-65,64.9277937(19),30.83(3),63.546(3) -29-Cu-66,65.9288730(19),,63.546(3) -29-Cu-67,66.927750(9),,63.546(3) -29-Cu-68,67.929640(50),,63.546(3) -29-Cu-69,68.929425(9),,63.546(3) -29-Cu-70,69.932409(16),,63.546(3) -29-Cu-71,70.932620(40),,63.546(3) -29-Cu-72,71.93552(21)#,,63.546(3) -29-Cu-73,72.93649(32)#,,63.546(3) -29-Cu-74,73.94020(43)#,,63.546(3) -29-Cu-75,74.94170(54)#,,63.546(3) -29-Cu-76,75.94599(64)#,,63.546(3) -29-Cu-77,76.94795(75)#,,63.546(3) -29-Cu-78,77.95281(86)#,,63.546(3) -29-Cu-79,78.95528(97)#,,63.546(3) -29-Cu-80,79.96189(97)#,,63.546(3) -30-Zn-54,53.99295(43)#,,65.409(4) -30-Zn-55,54.98398(27)#,,65.409(4) -30-Zn-56,55.97238(28)#,,65.409(4) -30-Zn-57,56.96491(15)#,,65.409(4) -30-Zn-58,57.954600(50),,65.409(4) -30-Zn-59,58.949270(40),,65.409(4) -30-Zn-60,59.941832(11),,65.409(4) -30-Zn-61,60.939514(18),,65.409(4) -30-Zn-62,61.934334(11),,65.409(4) -30-Zn-63,62.9332156(23),,65.409(4) -30-Zn-64,63.9291466(18),48.63(60),65.409(4) -30-Zn-65,64.9292451(18),,65.409(4) -30-Zn-66,65.9260368(16),27.90(27),65.409(4) -30-Zn-67,66.9271309(17),4.10(13),65.409(4) -30-Zn-68,67.9248476(17),18.75(51),65.409(4) -30-Zn-69,68.9265535(18),,65.409(4) -30-Zn-70,69.925325(4),0.62(3),65.409(4) -30-Zn-71,70.927727(11),,65.409(4) -30-Zn-72,71.926861(7),,65.409(4) -30-Zn-73,72.929780(40),,65.409(4) -30-Zn-74,73.929460(50),,65.409(4) -30-Zn-75,74.932940(80),,65.409(4) -30-Zn-76,75.93339(13),,65.409(4) -30-Zn-77,76.93709(14),,65.409(4) -30-Zn-78,77.93857(17),,65.409(4) -30-Zn-79,78.94268(29)#,,65.409(4) -30-Zn-80,79.94441(18),,65.409(4) -30-Zn-81,80.95048(43)#,,65.409(4) -30-Zn-82,81.95484(43)#,,65.409(4) -31-Ga-56,55.99491(28)#,,69.723(1) -31-Ga-57,56.98293(28)#,,69.723(1) -31-Ga-58,57.97425(23)#,,69.723(1) -31-Ga-59,58.96337(18)#,,69.723(1) -31-Ga-60,59.95706(12)#,,69.723(1) -31-Ga-61,60.94917(21)#,,69.723(1) -31-Ga-62,61.944180(30),,69.723(1) -31-Ga-63,62.93914(11),,69.723(1) -31-Ga-64,63.936838(4),,69.723(1) -31-Ga-65,64.9327393(19),,69.723(1) -31-Ga-66,65.931592(4),,69.723(1) -31-Ga-67,66.9282049(19),,69.723(1) -31-Ga-68,67.9279835(22),,69.723(1) -31-Ga-69,68.925581(3),60.108(9),69.723(1) -31-Ga-70,69.926028(3),,69.723(1) -31-Ga-71,70.9247050(19),39.892(9),69.723(1) -31-Ga-72,71.9263694(22),,69.723(1) -31-Ga-73,72.925170(7),,69.723(1) -31-Ga-74,73.926940(80),,69.723(1) -31-Ga-75,74.926501(7),,69.723(1) -31-Ga-76,75.92893(10),,69.723(1) -31-Ga-77,76.929280(60),,69.723(1) -31-Ga-78,77.931660(90),,69.723(1) -31-Ga-79,78.93292(13),,69.723(1) -31-Ga-80,79.93659(13),,69.723(1) -31-Ga-81,80.93775(21),,69.723(1) -31-Ga-82,81.94316(32)#,,69.723(1) -31-Ga-83,82.94687(54)#,,69.723(1) -31-Ga-84,83.95234(64)#,,69.723(1) -32-Ge-58,57.99101(34)#,,72.64(1) -32-Ge-59,58.98175(30)#,,72.64(1) -32-Ge-60,59.97019(25)#,,72.64(1) -32-Ge-61,60.96379(32)#,,72.64(1) -32-Ge-62,61.95465(15)#,,72.64(1) -32-Ge-63,62.94964(21)#,,72.64(1) -32-Ge-64,63.94157(27),,72.64(1) -32-Ge-65,64.93944(11),,72.64(1) -32-Ge-66,65.933850(30),,72.64(1) -32-Ge-67,66.932738(5),,72.64(1) -32-Ge-68,67.928097(7),,72.64(1) -32-Ge-69,68.927972(3),,72.64(1) -32-Ge-70,69.9242504(19),20.84(87),72.64(1) -32-Ge-71,70.9249540(19),,72.64(1) -32-Ge-72,71.9220762(16),27.54(34),72.64(1) -32-Ge-73,72.9234594(16),7.73(5),72.64(1) -32-Ge-74,73.9211782(16),36.28(73),72.64(1) -32-Ge-75,74.9228595(16),,72.64(1) -32-Ge-76,75.9214027(16),7.61(38),72.64(1) -32-Ge-77,76.9235485(20),,72.64(1) -32-Ge-78,77.922853(4),,72.64(1) -32-Ge-79,78.92540(10),,72.64(1) -32-Ge-80,79.925445(25),,72.64(1) -32-Ge-81,80.92882(13),,72.64(1) -32-Ge-82,81.92955(26),,72.64(1) -32-Ge-83,82.93451(32)#,,72.64(1) -32-Ge-84,83.93731(43)#,,72.64(1) -32-Ge-85,84.94269(54)#,,72.64(1) -32-Ge-86,85.94627(64)#,,72.64(1) -33-As-60,59.99313(64)#,,74.92160(2) -33-As-61,60.98062(64)#,,74.92160(2) -33-As-62,61.97320(32)#,,74.92160(2) -33-As-63,62.96369(54)#,,74.92160(2) -33-As-64,63.95757(38)#,,74.92160(2) -33-As-65,64.94948(42)#,,74.92160(2) -33-As-66,65.94437(22)#,,74.92160(2) -33-As-67,66.93919(11),,74.92160(2) -33-As-68,67.93679(11),,74.92160(2) -33-As-69,68.932280(30),,74.92160(2) -33-As-70,69.930930(50),,74.92160(2) -33-As-71,70.927115(5),,74.92160(2) -33-As-72,71.926753(5),,74.92160(2) -33-As-73,72.923825(4),,74.92160(2) -33-As-74,73.9239291(24),,74.92160(2) -33-As-75,74.9215964(18),100,74.92160(2) -33-As-76,75.9223939(18),,74.92160(2) -33-As-77,76.9206477(23),,74.92160(2) -33-As-78,77.921829(11),,74.92160(2) -33-As-79,78.920948(6),,74.92160(2) -33-As-80,79.922578(23),,74.92160(2) -33-As-81,80.922133(6),,74.92160(2) -33-As-82,81.92450(21),,74.92160(2) -33-As-83,82.92498(24),,74.92160(2) -33-As-84,83.92906(32)#,,74.92160(2) -33-As-85,84.93181(32)#,,74.92160(2) -33-As-86,85.93623(43)#,,74.92160(2) -33-As-87,86.93958(54)#,,74.92160(2) -33-As-88,87.94456(64)#,,74.92160(2) -33-As-89,88.94923(64)#,,74.92160(2) -34-Se-65,64.96466(64)#,,78.96(3) -34-Se-66,65.95521(32)#,,78.96(3) -34-Se-67,66.95009(21)#,,78.96(3) -34-Se-68,67.94187(32)#,,78.96(3) -34-Se-69,68.939560(40),,78.96(3) -34-Se-70,69.93350(22)#,,78.96(3) -34-Se-71,70.93227(22)#,,78.96(3) -34-Se-72,71.927112(13),,78.96(3) -34-Se-73,72.926767(12),,78.96(3) -34-Se-74,73.9224766(16),0.89(4),78.96(3) -34-Se-75,74.9225236(16),,78.96(3) -34-Se-76,75.9192141(16),9.37(29),78.96(3) -34-Se-77,76.9199146(16),7.63(16),78.96(3) -34-Se-78,77.9173095(16),23.77(28),78.96(3) -34-Se-79,78.9184998(16),,78.96(3) -34-Se-80,79.9165218(20),49.61(41),78.96(3) -34-Se-81,80.9179929(21),,78.96(3) -34-Se-82,81.9167000(22),8.73(22),78.96(3) -34-Se-83,82.919119(4),,78.96(3) -34-Se-84,83.918465(16),,78.96(3) -34-Se-85,84.922240(30),,78.96(3) -34-Se-86,85.924271(17),,78.96(3) -34-Se-87,86.928520(40),,78.96(3) -34-Se-88,87.931420(50),,78.96(3) -34-Se-89,88.93602(32)#,,78.96(3) -34-Se-90,89.93942(43)#,,78.96(3) -34-Se-91,90.94537(54)#,,78.96(3) -34-Se-92,91.94933(64)#,,78.96(3) -35-Br-67,66.96479(54)#,,79.904(1) -35-Br-68,67.95825(58)#,,79.904(1) -35-Br-69,68.95018(34)#,,79.904(1) -35-Br-70,69.94462(39)#,,79.904(1) -35-Br-71,70.93925(32)#,,79.904(1) -35-Br-72,71.93650(28),,79.904(1) -35-Br-73,72.93179(14),,79.904(1) -35-Br-74,73.929891(16),,79.904(1) -35-Br-75,74.925776(15),,79.904(1) -35-Br-76,75.924542(10),,79.904(1) -35-Br-77,76.921380(3),,79.904(1) -35-Br-78,77.921146(4),,79.904(1) -35-Br-79,78.9183376(20),50.69(7),79.904(1) -35-Br-80,79.9185300(20),,79.904(1) -35-Br-81,80.916291(3),49.31(7),79.904(1) -35-Br-82,81.916805(3),,79.904(1) -35-Br-83,82.915180(5),,79.904(1) -35-Br-84,83.916504(27),,79.904(1) -35-Br-85,84.915608(21),,79.904(1) -35-Br-86,85.918797(12),,79.904(1) -35-Br-87,86.920711(19),,79.904(1) -35-Br-88,87.924070(40),,79.904(1) -35-Br-89,88.926390(60),,79.904(1) -35-Br-90,89.930630(80),,79.904(1) -35-Br-91,90.933970(80),,79.904(1) -35-Br-92,91.939260(50),,79.904(1) -35-Br-93,92.94310(32)#,,79.904(1) -35-Br-94,93.94868(43)#,,79.904(1) -36-Kr-69,68.96532(54)#,,83.798(2) -36-Kr-70,69.95601(43)#,,83.798(2) -36-Kr-71,70.95051(32)#,,83.798(2) -36-Kr-72,71.94191(29),,83.798(2) -36-Kr-73,72.93893(15),,83.798(2) -36-Kr-74,73.933260(60),,83.798(2) -36-Kr-75,74.931034(17),,83.798(2) -36-Kr-76,75.925948(11),,83.798(2) -36-Kr-77,76.924668(9),,83.798(2) -36-Kr-78,77.920386(7),0.35(1),83.798(2) -36-Kr-79,78.920083(4),,83.798(2) -36-Kr-80,79.916378(4),2.28(6),83.798(2) -36-Kr-81,80.916592(3),,83.798(2) -36-Kr-82,81.9134846(28),11.58(14),83.798(2) -36-Kr-83,82.914136(3),11.49(6),83.798(2) -36-Kr-84,83.911507(3),57.00(4),83.798(2) -36-Kr-85,84.912527(3),,83.798(2) -36-Kr-86,85.9106103(12),17.30(22),83.798(2) -36-Kr-87,86.9133543(14),,83.798(2) -36-Kr-88,87.914447(14),,83.798(2) -36-Kr-89,88.917630(60),,83.798(2) -36-Kr-90,89.919524(20),,83.798(2) -36-Kr-91,90.923440(60),,83.798(2) -36-Kr-92,91.926153(13),,83.798(2) -36-Kr-93,92.93127(11),,83.798(2) -36-Kr-94,93.93436(32)#,,83.798(2) -36-Kr-95,94.93984(43)#,,83.798(2) -36-Kr-96,95.94307(54)#,,83.798(2) -36-Kr-97,96.94856(54)#,,83.798(2) -37-Rb-71,70.96532(54)#,,85.4678(3) -37-Rb-72,71.95908(54)#,,85.4678(3) -37-Rb-73,72.95037(52)#,,85.4678(3) -37-Rb-74,73.94447(77),,85.4678(3) -37-Rb-75,74.938569(8),,85.4678(3) -37-Rb-76,75.935071(8),,85.4678(3) -37-Rb-77,76.930407(8),,85.4678(3) -37-Rb-78,77.928141(8),,85.4678(3) -37-Rb-79,78.923997(7),,85.4678(3) -37-Rb-80,79.922519(8),,85.4678(3) -37-Rb-81,80.918994(7),,85.4678(3) -37-Rb-82,81.918208(8),,85.4678(3) -37-Rb-83,82.915112(7),,85.4678(3) -37-Rb-84,83.914385(3),,85.4678(3) -37-Rb-85,84.9117893(25),72.17(2),85.4678(3) -37-Rb-86,85.9111671(25),,85.4678(3) -37-Rb-87,86.9091835(27),27.83(2),85.4678(3) -37-Rb-88,87.911319(5),,85.4678(3) -37-Rb-89,88.912280(6),,85.4678(3) -37-Rb-90,89.914809(9),,85.4678(3) -37-Rb-91,90.916534(9),,85.4678(3) -37-Rb-92,91.919725(7),,85.4678(3) -37-Rb-93,92.922033(8),,85.4678(3) -37-Rb-94,93.926407(9),,85.4678(3) -37-Rb-95,94.929319(21),,85.4678(3) -37-Rb-96,95.934284(27),,85.4678(3) -37-Rb-97,96.937340(30),,85.4678(3) -37-Rb-98,97.941700(40),,85.4678(3) -37-Rb-99,98.94542(16),,85.4678(3) -37-Rb-100,99.94987(32)#,,85.4678(3) -37-Rb-101,100.95320(18),,85.4678(3) -37-Rb-102,101.95921(54)#,,85.4678(3) -38-Sr-73,72.96597(64)#,,87.62(1) -38-Sr-74,73.95631(54)#,,87.62(1) -38-Sr-75,74.94992(32)#,,87.62(1) -38-Sr-76,75.94161(32)#,,87.62(1) -38-Sr-77,76.93776(16),,87.62(1) -38-Sr-78,77.932179(8),,87.62(1) -38-Sr-79,78.929707(9),,87.62(1) -38-Sr-80,79.924525(8),,87.62(1) -38-Sr-81,80.923213(8),,87.62(1) -38-Sr-82,81.918401(6),,87.62(1) -38-Sr-83,82.917555(9),,87.62(1) -38-Sr-84,83.913425(4),0.56(1),87.62(1) -38-Sr-85,84.912933(4),,87.62(1) -38-Sr-86,85.9092624(24),9.86(1),87.62(1) -38-Sr-87,86.9088793(24),7.00(1),87.62(1) -38-Sr-88,87.9056143(24),82.58(1),87.62(1) -38-Sr-89,88.9074529(24),,87.62(1) -38-Sr-90,89.9077376(29),,87.62(1) -38-Sr-91,90.910210(6),,87.62(1) -38-Sr-92,91.911030(7),,87.62(1) -38-Sr-93,92.914022(8),,87.62(1) -38-Sr-94,93.915360(8),,87.62(1) -38-Sr-95,94.919358(8),,87.62(1) -38-Sr-96,95.921680(26),,87.62(1) -38-Sr-97,96.926149(20),,87.62(1) -38-Sr-98,97.928471(27),,87.62(1) -38-Sr-99,98.93332(15),,87.62(1) -38-Sr-100,99.93535(14),,87.62(1) -38-Sr-101,100.94052(13),,87.62(1) -38-Sr-102,101.94302(12),,87.62(1) -38-Sr-103,102.94895(54)#,,87.62(1) -38-Sr-104,103.95233(75)#,,87.62(1) -39-Y-77,76.94962(32)#,,88.90585(2) -39-Y-78,77.94350(43)#,,88.90585(2) -39-Y-79,78.93735(48),,88.90585(2) -39-Y-80,79.93434(43)#,,88.90585(2) -39-Y-81,80.929130(70),,88.90585(2) -39-Y-82,81.92679(11),,88.90585(2) -39-Y-83,82.922350(50),,88.90585(2) -39-Y-84,83.92039(10),,88.90585(2) -39-Y-85,84.916427(27),,88.90585(2) -39-Y-86,85.914888(15),,88.90585(2) -39-Y-87,86.9108778(28),,88.90585(2) -39-Y-88,87.9095034(29),,88.90585(2) -39-Y-89,88.9058479(25),100,88.90585(2) -39-Y-90,89.9071514(25),,88.90585(2) -39-Y-91,90.907303(3),,88.90585(2) -39-Y-92,91.908947(10),,88.90585(2) -39-Y-93,92.909582(11),,88.90585(2) -39-Y-94,93.911594(8),,88.90585(2) -39-Y-95,94.912824(8),,88.90585(2) -39-Y-96,95.915898(23),,88.90585(2) -39-Y-97,96.918131(13),,88.90585(2) -39-Y-98,97.922220(26),,88.90585(2) -39-Y-99,98.924635(26),,88.90585(2) -39-Y-100,99.927760(80),,88.90585(2) -39-Y-101,100.93031(10),,88.90585(2) -39-Y-102,101.933560(90),,88.90585(2) -39-Y-103,102.93694(32)#,,88.90585(2) -39-Y-104,103.94145(43)#,,88.90585(2) -39-Y-105,104.94509(54)#,,88.90585(2) -39-Y-106,105.95022(75)#,,88.90585(2) -40-Zr-79,78.94916(43)#,,91.224(2) -40-Zr-80,79.94055(32)#,,91.224(2) -40-Zr-81,80.93682(32),,91.224(2) -40-Zr-82,81.93109(55),,91.224(2) -40-Zr-83,82.92865(10),,91.224(2) -40-Zr-84,83.92325(21)#,,91.224(2) -40-Zr-85,84.92147(11),,91.224(2) -40-Zr-86,85.916470(30),,91.224(2) -40-Zr-87,86.914817(9),,91.224(2) -40-Zr-88,87.910226(11),,91.224(2) -40-Zr-89,88.908889(4),,91.224(2) -40-Zr-90,89.9047037(23),51.45(40),91.224(2) -40-Zr-91,90.9056450(23),11.22(5),91.224(2) -40-Zr-92,91.9050401(23),17.15(8),91.224(2) -40-Zr-93,92.9064756(23),,91.224(2) -40-Zr-94,93.9063158(25),17.38(28),91.224(2) -40-Zr-95,94.9080427(25),,91.224(2) -40-Zr-96,95.908276(3),2.80(9),91.224(2) -40-Zr-97,96.910951(3),,91.224(2) -40-Zr-98,97.912746(21),,91.224(2) -40-Zr-99,98.916511(21),,91.224(2) -40-Zr-100,99.917760(40),,91.224(2) -40-Zr-101,100.921140(30),,91.224(2) -40-Zr-102,101.922980(50),,91.224(2) -40-Zr-103,102.92660(12),,91.224(2) -40-Zr-104,103.92878(43)#,,91.224(2) -40-Zr-105,104.93305(43)#,,91.224(2) -40-Zr-106,105.93591(54)#,,91.224(2) -40-Zr-107,106.94086(64)#,,91.224(2) -40-Zr-108,107.94428(75)#,,91.224(2) -41-Nb-81,80.94905(43)#,,92.90638(2) -41-Nb-82,81.94313(32)#,,92.90638(2) -41-Nb-83,82.93670(34),,92.90638(2) -41-Nb-84,83.93357(32)#,,92.90638(2) -41-Nb-85,84.92791(24),,92.90638(2) -41-Nb-86,85.925040(90),,92.90638(2) -41-Nb-87,86.920360(70),,92.90638(2) -41-Nb-88,87.91796(22)#,,92.90638(2) -41-Nb-89,88.913500(40),,92.90638(2) -41-Nb-90,89.911264(5),,92.90638(2) -41-Nb-91,90.906991(3),,92.90638(2) -41-Nb-92,91.9071932(29),,92.90638(2) -41-Nb-93,92.9063775(24),100,92.90638(2) -41-Nb-94,93.9072835(24),,92.90638(2) -41-Nb-95,94.9068352(20),,92.90638(2) -41-Nb-96,95.908100(4),,92.90638(2) -41-Nb-97,96.9080971(28),,92.90638(2) -41-Nb-98,97.910331(6),,92.90638(2) -41-Nb-99,98.911618(14),,92.90638(2) -41-Nb-100,99.914181(28),,92.90638(2) -41-Nb-101,100.915252(20),,92.90638(2) -41-Nb-102,101.918040(40),,92.90638(2) -41-Nb-103,102.919140(70),,92.90638(2) -41-Nb-104,103.92246(12),,92.90638(2) -41-Nb-105,104.92393(11),,92.90638(2) -41-Nb-106,105.92819(32)#,,92.90638(2) -41-Nb-107,106.93031(43)#,,92.90638(2) -41-Nb-108,107.93501(54)#,,92.90638(2) -41-Nb-109,108.93763(54)#,,92.90638(2) -41-Nb-110,109.94268(64)#,,92.90638(2) -42-Mo-83,82.94874(54)#,,95.94(2) -42-Mo-84,83.94009(43)#,,95.94(2) -42-Mo-85,84.93659(43)#,,95.94(2) -42-Mo-86,85.93070(47),,95.94(2) -42-Mo-87,86.92733(24),,95.94(2) -42-Mo-88,87.921953(22),,95.94(2) -42-Mo-89,88.919481(17),,95.94(2) -42-Mo-90,89.913936(7),,95.94(2) -42-Mo-91,90.911751(12),,95.94(2) -42-Mo-92,91.906810(4),14.84(35),95.94(2) -42-Mo-93,92.906812(4),,95.94(2) -42-Mo-94,93.9050876(20),9.25(12),95.94(2) -42-Mo-95,94.9058415(20),15.92(13),95.94(2) -42-Mo-96,95.9046789(20),16.68(2),95.94(2) -42-Mo-97,96.9060210(20),9.55(8),95.94(2) -42-Mo-98,97.9054078(20),24.13(31),95.94(2) -42-Mo-99,98.9077116(20),,95.94(2) -42-Mo-100,99.907477(6),9.63(23),95.94(2) -42-Mo-101,100.910347(6),,95.94(2) -42-Mo-102,101.910297(22),,95.94(2) -42-Mo-103,102.913200(70),,95.94(2) -42-Mo-104,103.913760(70),,95.94(2) -42-Mo-105,104.916970(80),,95.94(2) -42-Mo-106,105.918134(23),,95.94(2) -42-Mo-107,106.92169(17),,95.94(2) -42-Mo-108,107.92358(21)#,,95.94(2) -42-Mo-109,108.92781(32)#,,95.94(2) -42-Mo-110,109.92973(43)#,,95.94(2) -42-Mo-111,110.93451(54)#,,95.94(2) -42-Mo-112,111.93684(64)#,,95.94(2) -42-Mo-113,112.94203(64)#,,95.94(2) -43-Tc-85,84.94894(54)#,,[98] -43-Tc-86,85.94288(32)#,,[98] -43-Tc-87,86.93653(32)#,,[98] -43-Tc-88,87.93283(32)#,,[98] -43-Tc-89,88.92754(23),,[98] -43-Tc-90,89.92356(26),,[98] -43-Tc-91,90.91843(22),,[98] -43-Tc-92,91.915260(28),,[98] -43-Tc-93,92.910248(4),,[98] -43-Tc-94,93.909656(5),,[98] -43-Tc-95,94.907656(6),,[98] -43-Tc-96,95.907871(6),,[98] -43-Tc-97,96.906365(5),,[98] -43-Tc-98,97.907216(4),,[98] -43-Tc-99,98.9062546(21),,[98] -43-Tc-100,99.9076576(23),,[98] -43-Tc-101,100.907314(26),,[98] -43-Tc-102,101.909213(10),,[98] -43-Tc-103,102.909179(11),,[98] -43-Tc-104,103.911440(50),,[98] -43-Tc-105,104.911660(60),,[98] -43-Tc-106,105.914355(15),,[98] -43-Tc-107,106.91508(16),,[98] -43-Tc-108,107.91848(14),,[98] -43-Tc-109,108.91963(23)#,,[98] -43-Tc-110,109.92339(43)#,,[98] -43-Tc-111,110.92505(43)#,,[98] -43-Tc-112,111.92924(54)#,,[98] -43-Tc-113,112.93133(64)#,,[98] -43-Tc-114,113.93588(64)#,,[98] -43-Tc-115,114.93828(75)#,,[98] -44-Ru-87,86.94918(64)#,,101.07(2) -44-Ru-88,87.94042(54)#,,101.07(2) -44-Ru-89,88.93611(54)#,,101.07(2) -44-Ru-90,89.92978(43)#,,101.07(2) -44-Ru-91,90.92638(54),,101.07(2) -44-Ru-92,91.92012(32)#,,101.07(2) -44-Ru-93,92.917050(90),,101.07(2) -44-Ru-94,93.911360(14),,101.07(2) -44-Ru-95,94.910413(13),,101.07(2) -44-Ru-96,95.907598(8),5.54(14),101.07(2) -44-Ru-97,96.907555(9),,101.07(2) -44-Ru-98,97.905287(7),1.87(3),101.07(2) -44-Ru-99,98.9059393(21),12.76(14),101.07(2) -44-Ru-100,99.9042197(22),12.60(7),101.07(2) -44-Ru-101,100.9055822(22),17.06(2),101.07(2) -44-Ru-102,101.9043495(22),31.55(14),101.07(2) -44-Ru-103,102.9063237(22),,101.07(2) -44-Ru-104,103.905430(4),18.62(27),101.07(2) -44-Ru-105,104.907750(4),,101.07(2) -44-Ru-106,105.907327(8),,101.07(2) -44-Ru-107,106.90991(13),,101.07(2) -44-Ru-108,107.91019(13),,101.07(2) -44-Ru-109,108.913200(70),,101.07(2) -44-Ru-110,109.91397(25),,101.07(2) -44-Ru-111,110.91756(32)#,,101.07(2) -44-Ru-112,111.91855(58)#,,101.07(2) -44-Ru-113,112.92254(54)#,,101.07(2) -44-Ru-114,113.92400(39)#,,101.07(2) -44-Ru-115,114.92831(64)#,,101.07(2) -44-Ru-116,115.93016(75)#,,101.07(2) -44-Ru-117,116.93479(86)#,,101.07(2) -44-Ru-118,117.93703(97)#,,101.07(2) -45-Rh-89,88.94938(54)#,,102.90550(2) -45-Rh-90,89.94287(54)#,,102.90550(2) -45-Rh-91,90.93655(43)#,,102.90550(2) -45-Rh-92,91.93198(43)#,,102.90550(2) -45-Rh-93,92.92574(43)#,,102.90550(2) -45-Rh-94,93.92170(48)#,,102.90550(2) -45-Rh-95,94.91590(16),,102.90550(2) -45-Rh-96,95.914518(14),,102.90550(2) -45-Rh-97,96.911340(40),,102.90550(2) -45-Rh-98,97.910716(13),,102.90550(2) -45-Rh-99,98.908132(8),,102.90550(2) -45-Rh-100,99.908117(22),,102.90550(2) -45-Rh-101,100.906164(19),,102.90550(2) -45-Rh-102,101.906843(5),,102.90550(2) -45-Rh-103,102.905504(3),100,102.90550(2) -45-Rh-104,103.906655(3),,102.90550(2) -45-Rh-105,104.905692(5),,102.90550(2) -45-Rh-106,105.907285(8),,102.90550(2) -45-Rh-107,106.906751(13),,102.90550(2) -45-Rh-108,107.90873(11),,102.90550(2) -45-Rh-109,108.908736(13),,102.90550(2) -45-Rh-110,109.91095(24),,102.90550(2) -45-Rh-111,110.91166(22)#,,102.90550(2) -45-Rh-112,111.91461(54)#,,102.90550(2) -45-Rh-113,112.91542(43)#,,102.90550(2) -45-Rh-114,113.91885(32)#,,102.90550(2) -45-Rh-115,114.92012(54),,102.90550(2) -45-Rh-116,115.92371(54)#,,102.90550(2) -45-Rh-117,116.92535(64)#,,102.90550(2) -45-Rh-118,117.92943(75)#,,102.90550(2) -45-Rh-119,118.93136(86)#,,102.90550(2) -45-Rh-120,119.93578(86)#,,102.90550(2) -45-Rh-121,120.93808(97)#,,102.90550(2) -46-Pd-91,90.94948(64)#,,106.42(1) -46-Pd-92,91.94042(54)#,,106.42(1) -46-Pd-93,92.93591(43)#,,106.42(1) -46-Pd-94,93.92877(43)#,,106.42(1) -46-Pd-95,94.92469(43)#,,106.42(1) -46-Pd-96,95.91822(16),,106.42(1) -46-Pd-97,96.91648(32),,106.42(1) -46-Pd-98,97.912721(23),,106.42(1) -46-Pd-99,98.911768(16),,106.42(1) -46-Pd-100,99.908505(12),,106.42(1) -46-Pd-101,100.908289(19),,106.42(1) -46-Pd-102,101.905608(3),1.02(1),106.42(1) -46-Pd-103,102.906087(3),,106.42(1) -46-Pd-104,103.904035(5),11.14(8),106.42(1) -46-Pd-105,104.905084(5),22.33(8),106.42(1) -46-Pd-106,105.903483(5),27.33(3),106.42(1) -46-Pd-107,106.905128(7),,106.42(1) -46-Pd-108,107.903894(4),26.46(9),106.42(1) -46-Pd-109,108.905954(4),,106.42(1) -46-Pd-110,109.905152(12),11.72(9),106.42(1) -46-Pd-111,110.907640(40),,106.42(1) -46-Pd-112,111.907313(19),,106.42(1) -46-Pd-113,112.910150(40),,106.42(1) -46-Pd-114,113.910365(26),,106.42(1) -46-Pd-115,114.913680(70),,106.42(1) -46-Pd-116,115.914160(60),,106.42(1) -46-Pd-117,116.91784(32)#,,106.42(1) -46-Pd-118,117.91898(23),,106.42(1) -46-Pd-119,118.92268(32)#,,106.42(1) -46-Pd-120,119.92403(43)#,,106.42(1) -46-Pd-121,120.92818(54)#,,106.42(1) -46-Pd-122,121.92980(54)#,,106.42(1) -46-Pd-123,122.93426(64)#,,106.42(1) -47-Ag-94,93.94278(54)#,,107.8682(2) -47-Ag-95,94.93548(43)#,,107.8682(2) -47-Ag-96,95.93068(43)#,,107.8682(2) -47-Ag-97,96.92400(43)#,,107.8682(2) -47-Ag-98,97.92176(16),,107.8682(2) -47-Ag-99,98.91760(16),,107.8682(2) -47-Ag-100,99.916070(80),,107.8682(2) -47-Ag-101,100.91280(11),,107.8682(2) -47-Ag-102,101.912000(80),,107.8682(2) -47-Ag-103,102.908972(18),,107.8682(2) -47-Ag-104,103.908628(7),,107.8682(2) -47-Ag-105,104.906528(12),,107.8682(2) -47-Ag-106,105.906666(6),,107.8682(2) -47-Ag-107,106.905093(6),51.839(8),107.8682(2) -47-Ag-108,107.905954(6),,107.8682(2) -47-Ag-109,108.904756(3),48.161(8),107.8682(2) -47-Ag-110,109.906110(3),,107.8682(2) -47-Ag-111,110.905295(4),,107.8682(2) -47-Ag-112,111.907004(18),,107.8682(2) -47-Ag-113,112.906566(18),,107.8682(2) -47-Ag-114,113.908808(28),,107.8682(2) -47-Ag-115,114.908760(40),,107.8682(2) -47-Ag-116,115.911360(50),,107.8682(2) -47-Ag-117,116.911680(50),,107.8682(2) -47-Ag-118,117.914580(70),,107.8682(2) -47-Ag-119,118.91567(10),,107.8682(2) -47-Ag-120,119.918790(80),,107.8682(2) -47-Ag-121,120.91985(16),,107.8682(2) -47-Ag-122,121.92332(22)#,,107.8682(2) -47-Ag-123,122.92490(32)#,,107.8682(2) -47-Ag-124,123.92853(43)#,,107.8682(2) -47-Ag-125,124.93054(43)#,,107.8682(2) -47-Ag-126,125.93450(43)#,,107.8682(2) -47-Ag-127,126.93688(54)#,,107.8682(2) -48-Cd-96,95.93977(54)#,,112.411(8) -48-Cd-97,96.93494(43)#,,112.411(8) -48-Cd-98,97.92758(22)#,,112.411(8) -48-Cd-99,98.92501(22)#,,112.411(8) -48-Cd-100,99.92023(10),,112.411(8) -48-Cd-101,100.91868(16),,112.411(8) -48-Cd-102,101.914780(80),,112.411(8) -48-Cd-103,102.913419(17),,112.411(8) -48-Cd-104,103.909848(10),,112.411(8) -48-Cd-105,104.909468(12),,112.411(8) -48-Cd-106,105.906458(6),1.25(6),112.411(8) -48-Cd-107,106.906614(7),,112.411(8) -48-Cd-108,107.904183(6),0.89(3),112.411(8) -48-Cd-109,108.904986(4),,112.411(8) -48-Cd-110,109.903006(3),12.49(18),112.411(8) -48-Cd-111,110.904182(3),12.80(12),112.411(8) -48-Cd-112,111.9027572(30),24.13(21),112.411(8) -48-Cd-113,112.9044009(30),12.22(12),112.411(8) -48-Cd-114,113.9033581(30),28.73(42),112.411(8) -48-Cd-115,114.905431(3),,112.411(8) -48-Cd-116,115.904755(3),7.49(18),112.411(8) -48-Cd-117,116.907218(4),,112.411(8) -48-Cd-118,117.906914(22),,112.411(8) -48-Cd-119,118.909920(90),,112.411(8) -48-Cd-120,119.909851(20),,112.411(8) -48-Cd-121,120.912980(90),,112.411(8) -48-Cd-122,121.91350(22)#,,112.411(8) -48-Cd-123,122.917000(40),,112.411(8) -48-Cd-124,123.917650(70),,112.411(8) -48-Cd-125,124.921250(70),,112.411(8) -48-Cd-126,125.922350(60),,112.411(8) -48-Cd-127,126.926430(80),,112.411(8) -48-Cd-128,127.92776(32),,112.411(8) -48-Cd-129,128.93226(43)#,,112.411(8) -48-Cd-130,129.93398(43)#,,112.411(8) -49-In-98,97.94224(54)#,,114.818(3) -49-In-99,98.93461(54)#,,114.818(3) -49-In-100,99.93115(41),,114.818(3) -49-In-101,100.92656(32)#,,114.818(3) -49-In-102,101.92471(41),,114.818(3) -49-In-103,102.919914(27),,114.818(3) -49-In-104,103.91834(15),,114.818(3) -49-In-105,104.914673(19),,114.818(3) -49-In-106,105.913461(15),,114.818(3) -49-In-107,106.910292(14),,114.818(3) -49-In-108,107.909720(40),,114.818(3) -49-In-109,108.907154(6),,114.818(3) -49-In-110,109.907169(13),,114.818(3) -49-In-111,110.905111(6),,114.818(3) -49-In-112,111.905533(6),,114.818(3) -49-In-113,112.904061(4),4.29(5),114.818(3) -49-In-114,113.904917(3),,114.818(3) -49-In-115,114.903878(5),95.71(5),114.818(3) -49-In-116,115.905260(5),,114.818(3) -49-In-117,116.904516(6),,114.818(3) -49-In-118,117.906355(9),,114.818(3) -49-In-119,118.905846(8),,114.818(3) -49-In-120,119.907960(40),,114.818(3) -49-In-121,120.907849(29),,114.818(3) -49-In-122,121.910280(50),,114.818(3) -49-In-123,122.910439(26),,114.818(3) -49-In-124,123.913180(50),,114.818(3) -49-In-125,124.913600(30),,114.818(3) -49-In-126,125.916460(40),,114.818(3) -49-In-127,126.917340(40),,114.818(3) -49-In-128,127.920170(50),,114.818(3) -49-In-129,128.92166(14),,114.818(3) -49-In-130,129.924850(50),,114.818(3) -49-In-131,130.926770(80),,114.818(3) -49-In-132,131.932920(70),,114.818(3) -49-In-133,132.93834(43)#,,114.818(3) -49-In-134,133.94466(54)#,,114.818(3) -50-Sn-100,99.93895(46)#,,118.710(7) -50-Sn-101,100.93606(54)#,,118.710(7) -50-Sn-102,101.93049(43)#,,118.710(7) -50-Sn-103,102.92813(32)#,,118.710(7) -50-Sn-104,103.92319(16),,118.710(7) -50-Sn-105,104.92139(10),,118.710(7) -50-Sn-106,105.916880(50),,118.710(7) -50-Sn-107,106.915670(90),,118.710(7) -50-Sn-108,107.911970(50),,118.710(7) -50-Sn-109,108.911287(11),,118.710(7) -50-Sn-110,109.907853(17),,118.710(7) -50-Sn-111,110.907735(8),,118.710(7) -50-Sn-112,111.904821(5),0.97(1),118.710(7) -50-Sn-113,112.905173(4),,118.710(7) -50-Sn-114,113.902782(3),0.66(1),118.710(7) -50-Sn-115,114.903346(3),0.34(1),118.710(7) -50-Sn-116,115.901744(3),14.54(9),118.710(7) -50-Sn-117,116.902954(3),7.68(7),118.710(7) -50-Sn-118,117.901606(3),24.22(9),118.710(7) -50-Sn-119,118.903309(3),8.59(4),118.710(7) -50-Sn-120,119.9021966(27),32.58(9),118.710(7) -50-Sn-121,120.9042369(27),,118.710(7) -50-Sn-122,121.9034401(29),4.63(3),118.710(7) -50-Sn-123,122.9057219(29),,118.710(7) -50-Sn-124,123.9052746(15),5.79(5),118.710(7) -50-Sn-125,124.9077849(16),,118.710(7) -50-Sn-126,125.907654(11),,118.710(7) -50-Sn-127,126.910351(27),,118.710(7) -50-Sn-128,127.910535(29),,118.710(7) -50-Sn-129,128.91344(13),,118.710(7) -50-Sn-130,129.913850(30),,118.710(7) -50-Sn-131,130.916920(80),,118.710(7) -50-Sn-132,131.917744(28),,118.710(7) -50-Sn-133,132.923810(90),,118.710(7) -50-Sn-134,133.92846(11),,118.710(7) -50-Sn-135,134.93473(43)#,,118.710(7) -50-Sn-136,135.93934(54)#,,118.710(7) -50-Sn-137,136.94579(64)#,,118.710(7) -51-Sb-103,102.94012(54)#,,121.760(1) -51-Sb-104,103.93629(39)#,,121.760(1) -51-Sb-105,104.93153(17),,121.760(1) -51-Sb-106,105.92876(34)#,,121.760(1) -51-Sb-107,106.92415(32)#,,121.760(1) -51-Sb-108,107.92216(22)#,,121.760(1) -51-Sb-109,108.918136(20),,121.760(1) -51-Sb-110,109.91676(22)#,,121.760(1) -51-Sb-111,110.91321(22)#,,121.760(1) -51-Sb-112,111.912395(25),,121.760(1) -51-Sb-113,112.909378(24),,121.760(1) -51-Sb-114,113.90910(22),,121.760(1) -51-Sb-115,114.906599(22),,121.760(1) -51-Sb-116,115.906797(6),,121.760(1) -51-Sb-117,116.904840(10),,121.760(1) -51-Sb-118,117.905532(4),,121.760(1) -51-Sb-119,118.903946(9),,121.760(1) -51-Sb-120,119.905074(8),,121.760(1) -51-Sb-121,120.9038180(24),57.21(5),121.760(1) -51-Sb-122,121.9051754(24),,121.760(1) -51-Sb-123,122.9042157(22),42.79(5),121.760(1) -51-Sb-124,123.9059375(22),,121.760(1) -51-Sb-125,124.905248(3),,121.760(1) -51-Sb-126,125.907250(30),,121.760(1) -51-Sb-127,126.906915(6),,121.760(1) -51-Sb-128,127.909167(27),,121.760(1) -51-Sb-129,128.909150(23),,121.760(1) -51-Sb-130,129.911546(27),,121.760(1) -51-Sb-131,130.911950(80),,121.760(1) -51-Sb-132,131.914413(25),,121.760(1) -51-Sb-133,132.915240(80),,121.760(1) -51-Sb-134,133.920550(60),,121.760(1) -51-Sb-135,134.92517(11),,121.760(1) -51-Sb-136,135.93066(32)#,,121.760(1) -51-Sb-137,136.93531(43)#,,121.760(1) -51-Sb-138,137.94096(54)#,,121.760(1) -51-Sb-139,138.94571(64)#,,121.760(1) -52-Te-106,105.93770(43)#,,127.60(3) -52-Te-107,106.93504(32)#,,127.60(3) -52-Te-108,107.92949(16),,127.60(3) -52-Te-109,108.927460(80),,127.60(3) -52-Te-110,109.922410(60),,127.60(3) -52-Te-111,110.921120(80),,127.60(3) -52-Te-112,111.91706(18),,127.60(3) -52-Te-113,112.91593(22)#,,127.60(3) -52-Te-114,113.91206(22)#,,127.60(3) -52-Te-115,114.91158(11),,127.60(3) -52-Te-116,115.90842(10),,127.60(3) -52-Te-117,116.908634(20),,127.60(3) -52-Te-118,117.905825(17),,127.60(3) -52-Te-119,118.906408(9),,127.60(3) -52-Te-120,119.904020(11),0.09(1),127.60(3) -52-Te-121,120.904930(27),,127.60(3) -52-Te-122,121.9030471(20),2.55(12),127.60(3) -52-Te-123,122.9042730(19),0.89(3),127.60(3) -52-Te-124,123.9028195(16),4.74(14),127.60(3) -52-Te-125,124.9044247(20),7.07(15),127.60(3) -52-Te-126,125.9033055(20),18.84(25),127.60(3) -52-Te-127,126.905217(4),,127.60(3) -52-Te-128,127.9044614(19),31.74(8),127.60(3) -52-Te-129,128.906596(3),,127.60(3) -52-Te-130,129.9062228(21),34.08(62),127.60(3) -52-Te-131,130.9085219(22),,127.60(3) -52-Te-132,131.908524(12),,127.60(3) -52-Te-133,132.910940(80),,127.60(3) -52-Te-134,133.911540(40),,127.60(3) -52-Te-135,134.91645(10),,127.60(3) -52-Te-136,135.920100(50),,127.60(3) -52-Te-137,136.92532(13),,127.60(3) -52-Te-138,137.92922(22)#,,127.60(3) -52-Te-139,138.93473(43)#,,127.60(3) -52-Te-140,139.93870(54)#,,127.60(3) -52-Te-141,140.94439(54)#,,127.60(3) -52-Te-142,141.94850(64)#,,127.60(3) -53-I-108,107.94329(39)#,,126.90447(3) -53-I-109,108.93819(16),,126.90447(3) -53-I-110,109.93521(33)#,,126.90447(3) -53-I-111,110.93028(32)#,,126.90447(3) -53-I-112,111.92797(23)#,,126.90447(3) -53-I-113,112.923640(60),,126.90447(3) -53-I-114,113.92185(32)#,,126.90447(3) -53-I-115,114.91792(50)#,,126.90447(3) -53-I-116,115.91674(15),,126.90447(3) -53-I-117,116.913650(80),,126.90447(3) -53-I-118,117.913380(80),,126.90447(3) -53-I-119,118.910180(70),,126.90447(3) -53-I-120,119.910048(20),,126.90447(3) -53-I-121,120.907366(12),,126.90447(3) -53-I-122,121.907592(6),,126.90447(3) -53-I-123,122.905598(4),,126.90447(3) -53-I-124,123.9062114(26),,126.90447(3) -53-I-125,124.9046241(20),,126.90447(3) -53-I-126,125.905619(4),,126.90447(3) -53-I-127,126.904468(4),100,126.90447(3) -53-I-128,127.905805(4),,126.90447(3) -53-I-129,128.904987(4),,126.90447(3) -53-I-130,129.906674(4),,126.90447(3) -53-I-131,130.9061242(12),,126.90447(3) -53-I-132,131.907995(11),,126.90447(3) -53-I-133,132.907806(28),,126.90447(3) -53-I-134,133.909877(16),,126.90447(3) -53-I-135,134.910050(25),,126.90447(3) -53-I-136,135.914660(50),,126.90447(3) -53-I-137,136.917873(30),,126.90447(3) -53-I-138,137.922380(90),,126.90447(3) -53-I-139,138.926090(30),,126.90447(3) -53-I-140,139.93121(23)#,,126.90447(3) -53-I-141,140.93483(32)#,,126.90447(3) -53-I-142,141.94018(43)#,,126.90447(3) -53-I-143,142.94407(43)#,,126.90447(3) -53-I-144,143.94961(54)#,,126.90447(3) -54-Xe-110,109.94448(43)#,,131.293(6) -54-Xe-111,110.94163(33)#,,131.293(6) -54-Xe-112,111.93567(16),,131.293(6) -54-Xe-113,112.93338(10),,131.293(6) -54-Xe-114,113.92815(22)#,,131.293(6) -54-Xe-115,114.92654(26)#,,131.293(6) -54-Xe-116,115.92174(26)#,,131.293(6) -54-Xe-117,116.92056(19),,131.293(6) -54-Xe-118,117.91657(107),,131.293(6) -54-Xe-119,118.91555(13),,131.293(6) -54-Xe-120,119.912150(50),,131.293(6) -54-Xe-121,120.911386(26),,131.293(6) -54-Xe-122,121.908550(90),,131.293(6) -54-Xe-123,122.908471(17),,131.293(6) -54-Xe-124,123.9058958(21),0.09(1),131.293(6) -54-Xe-125,124.9063982(21),,131.293(6) -54-Xe-126,125.904269(7),0.09(1),131.293(6) -54-Xe-127,126.905180(4),,131.293(6) -54-Xe-128,127.9035304(15),1.92(3),131.293(6) -54-Xe-129,128.9047795(9),26.44(24),131.293(6) -54-Xe-130,129.9035079(10),4.08(2),131.293(6) -54-Xe-131,130.9050819(10),21.18(3),131.293(6) -54-Xe-132,131.9041545(12),26.89(6),131.293(6) -54-Xe-133,132.905906(4),,131.293(6) -54-Xe-134,133.9053945(9),10.44(10),131.293(6) -54-Xe-135,134.907207(11),,131.293(6) -54-Xe-136,135.907220(8),8.87(16),131.293(6) -54-Xe-137,136.911563(8),,131.293(6) -54-Xe-138,137.913990(40),,131.293(6) -54-Xe-139,138.918787(23),,131.293(6) -54-Xe-140,139.921640(70),,131.293(6) -54-Xe-141,140.92665(10),,131.293(6) -54-Xe-142,141.92970(11),,131.293(6) -54-Xe-143,142.93489(24)#,,131.293(6) -54-Xe-144,143.93823(34)#,,131.293(6) -54-Xe-145,144.94367(43)#,,131.293(6) -54-Xe-146,145.94730(43)#,,131.293(6) -54-Xe-147,146.95301(54)#,,131.293(6) -55-Cs-112,111.95033(33)#,,132.90545(2) -55-Cs-113,112.94454(16),,132.90545(2) -55-Cs-114,113.94142(33)#,,132.90545(2) -55-Cs-115,114.93594(46)#,,132.90545(2) -55-Cs-116,115.93291(38),,132.90545(2) -55-Cs-117,116.928640(60),,132.90545(2) -55-Cs-118,117.926555(14),,132.90545(2) -55-Cs-119,118.922371(15),,132.90545(2) -55-Cs-120,119.920678(11),,132.90545(2) -55-Cs-121,120.917184(15),,132.90545(2) -55-Cs-122,121.916122(18),,132.90545(2) -55-Cs-123,122.912990(13),,132.90545(2) -55-Cs-124,123.912246(13),,132.90545(2) -55-Cs-125,124.909725(8),,132.90545(2) -55-Cs-126,125.909448(13),,132.90545(2) -55-Cs-127,126.907418(9),,132.90545(2) -55-Cs-128,127.907748(6),,132.90545(2) -55-Cs-129,128.906063(5),,132.90545(2) -55-Cs-130,129.906706(9),,132.90545(2) -55-Cs-131,130.905460(6),,132.90545(2) -55-Cs-132,131.906430(4),,132.90545(2) -55-Cs-133,132.905447(3),100,132.90545(2) -55-Cs-134,133.906713(3),,132.90545(2) -55-Cs-135,134.905972(3),,132.90545(2) -55-Cs-136,135.907306(4),,132.90545(2) -55-Cs-137,136.907084(3),,132.90545(2) -55-Cs-138,137.911011(10),,132.90545(2) -55-Cs-139,138.913358(5),,132.90545(2) -55-Cs-140,139.917277(9),,132.90545(2) -55-Cs-141,140.920044(11),,132.90545(2) -55-Cs-142,141.924292(11),,132.90545(2) -55-Cs-143,142.927330(24),,132.90545(2) -55-Cs-144,143.932030(30),,132.90545(2) -55-Cs-145,144.935390(50),,132.90545(2) -55-Cs-146,145.940160(90),,132.90545(2) -55-Cs-147,146.94386(16),,132.90545(2) -55-Cs-148,147.94890(63),,132.90545(2) -55-Cs-149,148.95272(32)#,,132.90545(2) -55-Cs-150,149.95797(54)#,,132.90545(2) -55-Cs-151,150.96200(75)#,,132.90545(2) -56-Ba-114,113.95094(48)#,,137.327(7) -56-Ba-115,114.94771(64)#,,137.327(7) -56-Ba-116,115.94168(54)#,,137.327(7) -56-Ba-117,116.93886(70)#,,137.327(7) -56-Ba-118,117.93344(54)#,,137.327(7) -56-Ba-119,118.93105(109),,137.327(7) -56-Ba-120,119.92605(32),,137.327(7) -56-Ba-121,120.92449(33),,137.327(7) -56-Ba-122,121.92026(32)#,,137.327(7) -56-Ba-123,122.91885(32)#,,137.327(7) -56-Ba-124,123.915088(15),,137.327(7) -56-Ba-125,124.91462(27),,137.327(7) -56-Ba-126,125.911244(15),,137.327(7) -56-Ba-127,126.91112(11),,137.327(7) -56-Ba-128,127.908309(12),,137.327(7) -56-Ba-129,128.908674(12),,137.327(7) -56-Ba-130,129.906310(7),0.106(1),137.327(7) -56-Ba-131,130.906931(7),,137.327(7) -56-Ba-132,131.905056(3),0.101(1),137.327(7) -56-Ba-133,132.906002(3),,137.327(7) -56-Ba-134,133.904503(3),2.417(18),137.327(7) -56-Ba-135,134.905683(3),6.592(12),137.327(7) -56-Ba-136,135.904570(3),7.854(24),137.327(7) -56-Ba-137,136.905821(3),11.232(24),137.327(7) -56-Ba-138,137.905241(3),71.698(42),137.327(7) -56-Ba-139,138.908835(3),,137.327(7) -56-Ba-140,139.910599(9),,137.327(7) -56-Ba-141,140.914406(9),,137.327(7) -56-Ba-142,141.916448(7),,137.327(7) -56-Ba-143,142.920617(14),,137.327(7) -56-Ba-144,143.922940(15),,137.327(7) -56-Ba-145,144.926920(60),,137.327(7) -56-Ba-146,145.930110(80),,137.327(7) -56-Ba-147,146.93399(10),,137.327(7) -56-Ba-148,147.93768(15),,137.327(7) -56-Ba-149,148.94246(43)#,,137.327(7) -56-Ba-150,149.94562(54)#,,137.327(7) -56-Ba-151,150.95070(64)#,,137.327(7) -56-Ba-152,151.95416(75)#,,137.327(7) -56-Ba-153,152.95961(97)#,,137.327(7) -57-La-117,116.95001(96)#,,138.9055(2) -57-La-118,117.94657(86)#,,138.9055(2) -57-La-119,118.94099(75)#,,138.9055(2) -57-La-120,119.93807(64)#,,138.9055(2) -57-La-121,120.93301(54)#,,138.9055(2) -57-La-122,121.93071(54)#,,138.9055(2) -57-La-123,122.92624(43)#,,138.9055(2) -57-La-124,123.92453(32)#,,138.9055(2) -57-La-125,124.92067(32)#,,138.9055(2) -57-La-126,125.91937(32)#,,138.9055(2) -57-La-127,126.91616(24)#,,138.9055(2) -57-La-128,127.91545(43),,138.9055(2) -57-La-129,128.912670(60),,138.9055(2) -57-La-130,129.91232(22)#,,138.9055(2) -57-La-131,130.91011(11),,138.9055(2) -57-La-132,131.910110(50),,138.9055(2) -57-La-133,132.90840(21),,138.9055(2) -57-La-134,133.908490(28),,138.9055(2) -57-La-135,134.906971(11),,138.9055(2) -57-La-136,135.907650(80),,138.9055(2) -57-La-137,136.906470(50),,138.9055(2) -57-La-138,137.907107(4),0.090(1),138.9055(2) -57-La-139,138.906348(3),99.910(1),138.9055(2) -57-La-140,139.909473(3),,138.9055(2) -57-La-141,140.910957(5),,138.9055(2) -57-La-142,141.914074(6),,138.9055(2) -57-La-143,142.916059(16),,138.9055(2) -57-La-144,143.919590(60),,138.9055(2) -57-La-145,144.921640(70),,138.9055(2) -57-La-146,145.925700(80),,138.9055(2) -57-La-147,146.927820(80),,138.9055(2) -57-La-148,147.93219(14),,138.9055(2) -57-La-149,148.93437(32)#,,138.9055(2) -57-La-150,149.93857(43)#,,138.9055(2) -57-La-151,150.94156(54)#,,138.9055(2) -57-La-152,151.94611(64)#,,138.9055(2) -57-La-153,152.94945(75)#,,138.9055(2) -57-La-154,153.95440(86)#,,138.9055(2) -57-La-155,154.95813(97)#,,138.9055(2) -58-Ce-119,118.95276(97)#,,140.116(1) -58-Ce-120,119.94664(86)#,,140.116(1) -58-Ce-121,120.94367(75)#,,140.116(1) -58-Ce-122,121.93801(64)#,,140.116(1) -58-Ce-123,122.93551(54)#,,140.116(1) -58-Ce-124,123.93052(54)#,,140.116(1) -58-Ce-125,124.92854(43)#,,140.116(1) -58-Ce-126,125.92410(43)#,,140.116(1) -58-Ce-127,126.92275(32)#,,140.116(1) -58-Ce-128,127.91887(32)#,,140.116(1) -58-Ce-129,128.91809(22)#,,140.116(1) -58-Ce-130,129.91469(66)#,,140.116(1) -58-Ce-131,130.91442(44),,140.116(1) -58-Ce-132,131.91149(21)#,,140.116(1) -58-Ce-133,132.91155(21)#,,140.116(1) -58-Ce-134,133.90903(22),,140.116(1) -58-Ce-135,134.909146(12),,140.116(1) -58-Ce-136,135.907140(50),0.185(2),140.116(1) -58-Ce-137,136.907780(50),,140.116(1) -58-Ce-138,137.905986(11),0.251(2),140.116(1) -58-Ce-139,138.906647(8),,140.116(1) -58-Ce-140,139.905434(3),88.450(51),140.116(1) -58-Ce-141,140.908271(3),,140.116(1) -58-Ce-142,141.909240(4),11.114(51),140.116(1) -58-Ce-143,142.912381(4),,140.116(1) -58-Ce-144,143.913643(4),,140.116(1) -58-Ce-145,144.917230(40),,140.116(1) -58-Ce-146,145.918690(70),,140.116(1) -58-Ce-147,146.922510(60),,140.116(1) -58-Ce-148,147.92439(13),,140.116(1) -58-Ce-149,148.928290(80),,140.116(1) -58-Ce-150,149.93023(13),,140.116(1) -58-Ce-151,150.93404(32)#,,140.116(1) -58-Ce-152,151.93638(43)#,,140.116(1) -58-Ce-153,152.94058(54)#,,140.116(1) -58-Ce-154,153.94332(64)#,,140.116(1) -58-Ce-155,154.94804(75)#,,140.116(1) -58-Ce-156,155.95126(86)#,,140.116(1) -58-Ce-157,156.95634(97)#,,140.116(1) -59-Pr-121,120.95536(86)#,,140.90765(2) -59-Pr-122,121.95165(86)#,,140.90765(2) -59-Pr-123,122.94596(75)#,,140.90765(2) -59-Pr-124,123.94296(64)#,,140.90765(2) -59-Pr-125,124.93783(54)#,,140.90765(2) -59-Pr-126,125.93531(54)#,,140.90765(2) -59-Pr-127,126.93083(43)#,,140.90765(2) -59-Pr-128,127.92880(43)#,,140.90765(2) -59-Pr-129,128.92486(32)#,,140.90765(2) -59-Pr-130,129.92338(32)#,,140.90765(2) -59-Pr-131,130.92006(47),,140.90765(2) -59-Pr-132,131.91912(21)#,,140.90765(2) -59-Pr-133,132.91620(21)#,,140.90765(2) -59-Pr-134,133.91567(32)#,,140.90765(2) -59-Pr-135,134.91314(16),,140.90765(2) -59-Pr-136,135.912650(50),,140.90765(2) -59-Pr-137,136.910680(50),,140.90765(2) -59-Pr-138,137.910749(16),,140.90765(2) -59-Pr-139,138.908932(9),,140.90765(2) -59-Pr-140,139.909071(7),,140.90765(2) -59-Pr-141,140.907648(3),100,140.90765(2) -59-Pr-142,141.910040(3),,140.90765(2) -59-Pr-143,142.910812(3),,140.90765(2) -59-Pr-144,143.913301(4),,140.90765(2) -59-Pr-145,144.914507(8),,140.90765(2) -59-Pr-146,145.917590(60),,140.90765(2) -59-Pr-147,146.918980(40),,140.90765(2) -59-Pr-148,147.92218(10),,140.90765(2) -59-Pr-149,148.923791(11),,140.90765(2) -59-Pr-150,149.927000(90),,140.90765(2) -59-Pr-151,150.928230(40),,140.90765(2) -59-Pr-152,151.93160(32)#,,140.90765(2) -59-Pr-153,152.93365(32)#,,140.90765(2) -59-Pr-154,153.93739(43)#,,140.90765(2) -59-Pr-155,154.93999(54)#,,140.90765(2) -59-Pr-156,155.94412(64)#,,140.90765(2) -59-Pr-157,156.94717(75)#,,140.90765(2) -59-Pr-158,157.95178(86)#,,140.90765(2) -59-Pr-159,158.95523(97)#,,140.90765(2) -60-Nd-126,125.94307(75)#,,144.24(3) -60-Nd-127,126.94050(64)#,,144.24(3) -60-Nd-128,127.93539(64)#,,144.24(3) -60-Nd-129,128.93325(39)#,,144.24(3) -60-Nd-130,129.92878(54)#,,144.24(3) -60-Nd-131,130.92710(50),,144.24(3) -60-Nd-132,131.92312(32)#,,144.24(3) -60-Nd-133,132.92221(32)#,,144.24(3) -60-Nd-134,133.91865(36)#,,144.24(3) -60-Nd-135,134.91824(22)#,,144.24(3) -60-Nd-136,135.915020(60),,144.24(3) -60-Nd-137,136.914640(80),,144.24(3) -60-Nd-138,137.91193(22)#,,144.24(3) -60-Nd-139,138.911920(50),,144.24(3) -60-Nd-140,139.909310(21),,144.24(3) -60-Nd-141,140.909605(4),,144.24(3) -60-Nd-142,141.907719(3),27.2(5),144.24(3) -60-Nd-143,142.909810(3),12.2(2),144.24(3) -60-Nd-144,143.910083(3),23.8(3),144.24(3) -60-Nd-145,144.912569(3),8.3(1),144.24(3) -60-Nd-146,145.913112(3),17.2(3),144.24(3) -60-Nd-147,146.916096(3),,144.24(3) -60-Nd-148,147.916889(3),5.7(1),144.24(3) -60-Nd-149,148.920144(3),,144.24(3) -60-Nd-150,149.920887(4),5.6(2),144.24(3) -60-Nd-151,150.923825(4),,144.24(3) -60-Nd-152,151.924680(30),,144.24(3) -60-Nd-153,152.927695(29),,144.24(3) -60-Nd-154,153.92948(12),,144.24(3) -60-Nd-155,154.93263(16),,144.24(3) -60-Nd-156,155.93520(43)#,,144.24(3) -60-Nd-157,156.93927(54)#,,144.24(3) -60-Nd-158,157.94187(64)#,,144.24(3) -60-Nd-159,158.94639(75)#,,144.24(3) -60-Nd-160,159.94939(86)#,,144.24(3) -60-Nd-161,160.95433(97)#,,144.24(3) -61-Pm-128,127.94826(97)#,,[145] -61-Pm-129,128.94316(86)#,,[145] -61-Pm-130,129.94045(75)#,,[145] -61-Pm-131,130.93580(64)#,,[145] -61-Pm-132,131.93375(54)#,,[145] -61-Pm-133,132.92972(54)#,,[145] -61-Pm-134,133.92849(42)#,,[145] -61-Pm-135,134.92462(35)#,,[145] -61-Pm-136,135.92345(22),,[145] -61-Pm-137,136.92071(15)#,,[145] -61-Pm-138,137.91945(34)#,,[145] -61-Pm-139,138.916760(60),,[145] -61-Pm-140,139.915800(30),,[145] -61-Pm-141,140.913607(29),,[145] -61-Pm-142,141.912950(50),,[145] -61-Pm-143,142.910928(4),,[145] -61-Pm-144,143.912586(4),,[145] -61-Pm-145,144.912744(4),,[145] -61-Pm-146,145.914692(5),,[145] -61-Pm-147,146.915134(3),,[145] -61-Pm-148,147.917468(7),,[145] -61-Pm-149,148.918329(5),,[145] -61-Pm-150,149.920979(22),,[145] -61-Pm-151,150.921203(6),,[145] -61-Pm-152,151.923490(80),,[145] -61-Pm-153,152.924113(12),,[145] -61-Pm-154,153.926550(80),,[145] -61-Pm-155,154.928100(30),,[145] -61-Pm-156,155.931060(40),,[145] -61-Pm-157,156.93320(32)#,,[145] -61-Pm-158,157.93669(43)#,,[145] -61-Pm-159,158.93913(54)#,,[145] -61-Pm-160,159.94299(64)#,,[145] -61-Pm-161,160.94586(75)#,,[145] -61-Pm-162,161.95029(86)#,,[145] -61-Pm-163,162.95352(97)#,,[145] -62-Sm-130,129.94863(97)#,,150.36(3) -62-Sm-131,130.94589(97)#,,150.36(3) -62-Sm-132,131.94082(75)#,,150.36(3) -62-Sm-133,132.93873(64)#,,150.36(3) -62-Sm-134,133.93402(54)#,,150.36(3) -62-Sm-135,134.93235(54)#,,150.36(3) -62-Sm-136,135.92830(43)#,,150.36(3) -62-Sm-137,136.92705(12),,150.36(3) -62-Sm-138,137.92354(32)#,,150.36(3) -62-Sm-139,138.922302(16),,150.36(3) -62-Sm-140,139.918991(16),,150.36(3) -62-Sm-141,140.918469(13),,150.36(3) -62-Sm-142,141.915193(11),,150.36(3) -62-Sm-143,142.914624(4),,150.36(3) -62-Sm-144,143.911995(4),3.07(7),150.36(3) -62-Sm-145,144.913406(4),,150.36(3) -62-Sm-146,145.913037(4),,150.36(3) -62-Sm-147,146.914893(3),14.99(18),150.36(3) -62-Sm-148,147.914818(3),11.24(10),150.36(3) -62-Sm-149,148.917180(3),13.82(7),150.36(3) -62-Sm-150,149.917271(3),7.38(1),150.36(3) -62-Sm-151,150.919928(3),,150.36(3) -62-Sm-152,151.919728(3),26.75(16),150.36(3) -62-Sm-153,152.922094(3),,150.36(3) -62-Sm-154,153.922205(3),22.75(29),150.36(3) -62-Sm-155,154.924636(3),,150.36(3) -62-Sm-156,155.925526(10),,150.36(3) -62-Sm-157,156.928350(50),,150.36(3) -62-Sm-158,157.929990(80),,150.36(3) -62-Sm-159,158.93320(32)#,,150.36(3) -62-Sm-160,159.93514(43)#,,150.36(3) -62-Sm-161,160.93883(54)#,,150.36(3) -62-Sm-162,161.94122(64)#,,150.36(3) -62-Sm-163,162.94536(75)#,,150.36(3) -62-Sm-164,163.94828(86)#,,150.36(3) -62-Sm-165,164.95298(97)#,,150.36(3) -63-Eu-132,131.95416(97)#,,151.964(1) -63-Eu-133,132.94890(97)#,,151.964(1) -63-Eu-134,133.94632(75)#,,151.964(1) -63-Eu-135,134.94172(64)#,,151.964(1) -63-Eu-136,135.93950(54)#,,151.964(1) -63-Eu-137,136.93521(54)#,,151.964(1) -63-Eu-138,137.93345(43)#,,151.964(1) -63-Eu-139,138.92984(16)#,,151.964(1) -63-Eu-140,139.928080(60),,151.964(1) -63-Eu-141,140.924890(30),,151.964(1) -63-Eu-142,141.923400(30),,151.964(1) -63-Eu-143,142.920287(14),,151.964(1) -63-Eu-144,143.918774(19),,151.964(1) -63-Eu-145,144.916261(5),,151.964(1) -63-Eu-146,145.917200(8),,151.964(1) -63-Eu-147,146.916741(4),,151.964(1) -63-Eu-148,147.918154(19),,151.964(1) -63-Eu-149,148.917926(5),,151.964(1) -63-Eu-150,149.919698(8),,151.964(1) -63-Eu-151,150.919846(3),47.81(3),151.964(1) -63-Eu-152,151.921740(3),,151.964(1) -63-Eu-153,152.921226(3),52.19(3),151.964(1) -63-Eu-154,153.922975(3),,151.964(1) -63-Eu-155,154.922889(3),,151.964(1) -63-Eu-156,155.924751(6),,151.964(1) -63-Eu-157,156.925419(7),,151.964(1) -63-Eu-158,157.927840(80),,151.964(1) -63-Eu-159,158.929084(9),,151.964(1) -63-Eu-160,159.93197(22)#,,151.964(1) -63-Eu-161,160.93368(32)#,,151.964(1) -63-Eu-162,161.93704(43)#,,151.964(1) -63-Eu-163,162.93921(54)#,,151.964(1) -63-Eu-164,163.94299(64)#,,151.964(1) -63-Eu-165,164.94572(75)#,,151.964(1) -63-Eu-166,165.94997(86)#,,151.964(1) -63-Eu-167,166.95305(97)#,,151.964(1) -64-Gd-136,135.94707(75)#,,157.25(3) -64-Gd-137,136.94465(64)#,,157.25(3) -64-Gd-138,137.93997(54)#,,157.25(3) -64-Gd-139,138.93808(54)#,,157.25(3) -64-Gd-140,139.93395(43)#,,157.25(3) -64-Gd-141,140.93221(32)#,,157.25(3) -64-Gd-142,141.92823(32)#,,157.25(3) -64-Gd-143,142.92674(22),,157.25(3) -64-Gd-144,143.92279(22)#,,157.25(3) -64-Gd-145,144.921690(40),,157.25(3) -64-Gd-146,145.918305(6),,157.25(3) -64-Gd-147,146.919089(4),,157.25(3) -64-Gd-148,147.918110(4),,157.25(3) -64-Gd-149,148.919336(5),,157.25(3) -64-Gd-150,149.918655(7),,157.25(3) -64-Gd-151,150.920344(4),,157.25(3) -64-Gd-152,151.919788(3),0.20(1),157.25(3) -64-Gd-153,152.921746(3),,157.25(3) -64-Gd-154,153.920862(3),2.18(3),157.25(3) -64-Gd-155,154.922619(3),14.80(12),157.25(3) -64-Gd-156,155.922120(3),20.47(9),157.25(3) -64-Gd-157,156.923957(3),15.65(2),157.25(3) -64-Gd-158,157.924101(3),24.84(7),157.25(3) -64-Gd-159,158.926385(3),,157.25(3) -64-Gd-160,159.927051(3),21.86(19),157.25(3) -64-Gd-161,160.929666(3),,157.25(3) -64-Gd-162,161.930981(5),,157.25(3) -64-Gd-163,162.93399(32)#,,157.25(3) -64-Gd-164,163.93586(43)#,,157.25(3) -64-Gd-165,164.93938(54)#,,157.25(3) -64-Gd-166,165.94160(64)#,,157.25(3) -64-Gd-167,166.94557(64)#,,157.25(3) -64-Gd-168,167.94836(75)#,,157.25(3) -64-Gd-169,168.95287(86)#,,157.25(3) -65-Tb-138,137.95287(86)#,,158.92534(2) -65-Tb-139,138.94803(75)#,,158.92534(2) -65-Tb-140,139.94554(96)#,,158.92534(2) -65-Tb-141,140.94116(64)#,,158.92534(2) -65-Tb-142,141.93886(82)#,,158.92534(2) -65-Tb-143,142.93475(43)#,,158.92534(2) -65-Tb-144,143.93253(32)#,,158.92534(2) -65-Tb-145,144.92888(24)#,,158.92534(2) -65-Tb-146,145.927180(50),,158.92534(2) -65-Tb-147,146.924037(13),,158.92534(2) -65-Tb-148,147.924300(30),,158.92534(2) -65-Tb-149,148.923242(5),,158.92534(2) -65-Tb-150,149.923654(9),,158.92534(2) -65-Tb-151,150.923098(5),,158.92534(2) -65-Tb-152,151.924070(40),,158.92534(2) -65-Tb-153,152.923431(5),,158.92534(2) -65-Tb-154,153.924690(50),,158.92534(2) -65-Tb-155,154.923500(13),,158.92534(2) -65-Tb-156,155.924744(5),,158.92534(2) -65-Tb-157,156.924021(3),,158.92534(2) -65-Tb-158,157.925410(3),,158.92534(2) -65-Tb-159,158.925343(3),100,158.92534(2) -65-Tb-160,159.927164(3),,158.92534(2) -65-Tb-161,160.927566(3),,158.92534(2) -65-Tb-162,161.929480(40),,158.92534(2) -65-Tb-163,162.930644(5),,158.92534(2) -65-Tb-164,163.93335(11),,158.92534(2) -65-Tb-165,164.93488(21)#,,158.92534(2) -65-Tb-166,165.93805(32)#,,158.92534(2) -65-Tb-167,166.94005(43)#,,158.92534(2) -65-Tb-168,167.94364(54)#,,158.92534(2) -65-Tb-169,168.94622(64)#,,158.92534(2) -65-Tb-170,169.95025(75)#,,158.92534(2) -65-Tb-171,170.95330(86)#,,158.92534(2) -66-Dy-140,139.95379(97)#,,162.500(1) -66-Dy-141,140.95119(75)#,,162.500(1) -66-Dy-142,141.94627(85)#,,162.500(1) -66-Dy-143,142.94383(54)#,,162.500(1) -66-Dy-144,143.93907(43)#,,162.500(1) -66-Dy-145,144.93695(32)#,,162.500(1) -66-Dy-146,145.93272(12),,162.500(1) -66-Dy-147,146.930880(60),,162.500(1) -66-Dy-148,147.927180(30),,162.500(1) -66-Dy-149,148.927334(12),,162.500(1) -66-Dy-150,149.925580(6),,162.500(1) -66-Dy-151,150.926180(5),,162.500(1) -66-Dy-152,151.924714(6),,162.500(1) -66-Dy-153,152.925761(5),,162.500(1) -66-Dy-154,153.924422(9),,162.500(1) -66-Dy-155,154.925749(13),,162.500(1) -66-Dy-156,155.924278(7),0.06(1),162.500(1) -66-Dy-157,156.925461(7),,162.500(1) -66-Dy-158,157.924405(4),0.10(1),162.500(1) -66-Dy-159,158.925736(3),,162.500(1) -66-Dy-160,159.925194(3),2.34(8),162.500(1) -66-Dy-161,160.926930(3),18.91(24),162.500(1) -66-Dy-162,161.926795(3),25.51(26),162.500(1) -66-Dy-163,162.928728(3),24.90(16),162.500(1) -66-Dy-164,163.929171(3),28.18(37),162.500(1) -66-Dy-165,164.931700(3),,162.500(1) -66-Dy-166,165.932803(3),,162.500(1) -66-Dy-167,166.935650(60),,162.500(1) -66-Dy-168,167.93723(32)#,,162.500(1) -66-Dy-169,168.94030(32),,162.500(1) -66-Dy-170,169.94267(43)#,,162.500(1) -66-Dy-171,170.94648(54)#,,162.500(1) -66-Dy-172,171.94911(64)#,,162.500(1) -66-Dy-173,172.95344(75)#,,162.500(1) -67-Ho-142,141.95986(107)#,,164.93032(2) -67-Ho-143,142.95469(75)#,,164.93032(2) -67-Ho-144,143.95164(64)#,,164.93032(2) -67-Ho-145,144.94688(64)#,,164.93032(2) -67-Ho-146,145.94410(54)#,,164.93032(2) -67-Ho-147,146.93984(43)#,,164.93032(2) -67-Ho-148,147.93727(29)#,,164.93032(2) -67-Ho-149,148.933790(23),,164.93032(2) -67-Ho-150,149.93335(11)#,,164.93032(2) -67-Ho-151,150.931681(13),,164.93032(2) -67-Ho-152,151.931740(30),,164.93032(2) -67-Ho-153,152.930195(6),,164.93032(2) -67-Ho-154,153.930596(10),,164.93032(2) -67-Ho-155,154.929079(25),,164.93032(2) -67-Ho-156,155.92971(22)#,,164.93032(2) -67-Ho-157,156.928190(50),,164.93032(2) -67-Ho-158,157.928950(30),,164.93032(2) -67-Ho-159,158.927709(4),,164.93032(2) -67-Ho-160,159.928726(16),,164.93032(2) -67-Ho-161,160.927852(4),,164.93032(2) -67-Ho-162,161.929092(5),,164.93032(2) -67-Ho-163,162.928730(3),,164.93032(2) -67-Ho-164,163.930231(3),,164.93032(2) -67-Ho-165,164.930319(3),100,164.93032(2) -67-Ho-166,165.932281(3),,164.93032(2) -67-Ho-167,166.933126(6),,164.93032(2) -67-Ho-168,167.935500(30),,164.93032(2) -67-Ho-169,168.936868(22),,164.93032(2) -67-Ho-170,169.939610(50),,164.93032(2) -67-Ho-171,170.94146(64),,164.93032(2) -67-Ho-172,171.94482(43)#,,164.93032(2) -67-Ho-173,172.94729(43)#,,164.93032(2) -67-Ho-174,173.95115(54)#,,164.93032(2) -67-Ho-175,174.95405(64)#,,164.93032(2) -68-Er-144,143.96059(86)#,,167.259(3) -68-Er-145,144.95746(75)#,,167.259(3) -68-Er-146,145.95212(64)#,,167.259(3) -68-Er-147,146.94931(54)#,,167.259(3) -68-Er-148,147.94444(43)#,,167.259(3) -68-Er-149,148.94217(51)#,,167.259(3) -68-Er-150,149.93776(11)#,,167.259(3) -68-Er-151,150.93746(32)#,,167.259(3) -68-Er-152,151.935080(30),,167.259(3) -68-Er-153,152.935093(12),,167.259(3) -68-Er-154,153.932777(6),,167.259(3) -68-Er-155,154.933200(50),,167.259(3) -68-Er-156,155.931020(80),,167.259(3) -68-Er-157,156.931950(90),,167.259(3) -68-Er-158,157.92991(11)#,,167.259(3) -68-Er-159,158.930681(5),,167.259(3) -68-Er-160,159.929080(50),,167.259(3) -68-Er-161,160.930001(10),,167.259(3) -68-Er-162,161.928775(4),0.14(1),167.259(3) -68-Er-163,162.930029(6),,167.259(3) -68-Er-164,163.929197(4),1.61(3),167.259(3) -68-Er-165,164.930723(4),,167.259(3) -68-Er-166,165.930290(3),33.61(35),167.259(3) -68-Er-167,166.932045(3),22.93(17),167.259(3) -68-Er-168,167.932368(3),26.78(26),167.259(3) -68-Er-169,168.934588(3),,167.259(3) -68-Er-170,169.935460(3),14.93(27),167.259(3) -68-Er-171,170.938026(3),,167.259(3) -68-Er-172,171.939352(5),,167.259(3) -68-Er-173,172.94240(21)#,,167.259(3) -68-Er-174,173.94434(32)#,,167.259(3) -68-Er-175,174.94793(43)#,,167.259(3) -68-Er-176,175.95029(43)#,,167.259(3) -68-Er-177,176.95437(64)#,,167.259(3) -69-Tm-146,145.96650(75)#,,168.93421(2) -69-Tm-147,146.96108(64)#,,168.93421(2) -69-Tm-148,147.95755(75)#,,168.93421(2) -69-Tm-149,148.95265(64)#,,168.93421(2) -69-Tm-150,149.94967(54)#,,168.93421(2) -69-Tm-151,150.94543(15)#,,168.93421(2) -69-Tm-152,151.94430(32)#,,168.93421(2) -69-Tm-153,152.942028(23),,168.93421(2) -69-Tm-154,153.94142(12)#,,168.93421(2) -69-Tm-155,154.939192(14),,168.93421(2) -69-Tm-156,155.939010(60),,168.93421(2) -69-Tm-157,156.93676(11),,168.93421(2) -69-Tm-158,157.93700(13)#,,168.93421(2) -69-Tm-159,158.934810(70),,168.93421(2) -69-Tm-160,159.93509(33),,168.93421(2) -69-Tm-161,160.93340(10),,168.93421(2) -69-Tm-162,161.933970(30),,168.93421(2) -69-Tm-163,162.932648(7),,168.93421(2) -69-Tm-164,163.933451(20),,168.93421(2) -69-Tm-165,164.932432(4),,168.93421(2) -69-Tm-166,165.933553(12),,168.93421(2) -69-Tm-167,166.932849(3),,168.93421(2) -69-Tm-168,167.934170(4),,168.93421(2) -69-Tm-169,168.934211(3),100,168.93421(2) -69-Tm-170,169.935798(3),,168.93421(2) -69-Tm-171,170.936426(3),,168.93421(2) -69-Tm-172,171.938396(7),,168.93421(2) -69-Tm-173,172.939600(6),,168.93421(2) -69-Tm-174,173.942160(50),,168.93421(2) -69-Tm-175,174.943830(50),,168.93421(2) -69-Tm-176,175.94699(11),,168.93421(2) -69-Tm-177,176.94904(32)#,,168.93421(2) -69-Tm-178,177.95264(43)#,,168.93421(2) -69-Tm-179,178.95534(54)#,,168.93421(2) -70-Yb-148,147.96676(86)#,,173.04(3) -70-Yb-149,148.96348(75)#,,173.04(3) -70-Yb-150,149.95799(64)#,,173.04(3) -70-Yb-151,150.95525(34)#,,173.04(3) -70-Yb-152,151.95017(38)#,,173.04(3) -70-Yb-153,152.94921(32)#,,173.04(3) -70-Yb-154,153.94624(11)#,,173.04(3) -70-Yb-155,154.94579(32)#,,173.04(3) -70-Yb-156,155.942850(40),,173.04(3) -70-Yb-157,156.942660(60),,173.04(3) -70-Yb-158,157.939858(11),,173.04(3) -70-Yb-159,158.94015(10),,173.04(3) -70-Yb-160,159.93756(22)#,,173.04(3) -70-Yb-161,160.93785(24)#,,173.04(3) -70-Yb-162,161.93575(22)#,,173.04(3) -70-Yb-163,162.93627(11),,173.04(3) -70-Yb-164,163.93452(11)#,,173.04(3) -70-Yb-165,164.935398(22),,173.04(3) -70-Yb-166,165.933880(9),,173.04(3) -70-Yb-167,166.934947(5),,173.04(3) -70-Yb-168,167.933894(5),0.13(1),173.04(3) -70-Yb-169,168.935187(5),,173.04(3) -70-Yb-170,169.934759(3),3.04(15),173.04(3) -70-Yb-171,170.936322(3),14.28(57),173.04(3) -70-Yb-172,171.9363777(30),21.83(67),173.04(3) -70-Yb-173,172.9382068(30),16.13(27),173.04(3) -70-Yb-174,173.9388581(30),31.83(92),173.04(3) -70-Yb-175,174.9412725(30),,173.04(3) -70-Yb-176,175.942568(3),12.76(41),173.04(3) -70-Yb-177,176.945257(3),,173.04(3) -70-Yb-178,177.946643(11),,173.04(3) -70-Yb-179,178.95017(32)#,,173.04(3) -70-Yb-180,179.95233(43)#,,173.04(3) -70-Yb-181,180.95615(43)#,,173.04(3) -71-Lu-150,149.97267(75)#,,174.967(1) -71-Lu-151,150.96715(65)#,,174.967(1) -71-Lu-152,151.96361(75)#,,174.967(1) -71-Lu-153,152.95869(64)#,,174.967(1) -71-Lu-154,153.95710(54)#,,174.967(1) -71-Lu-155,154.95423(14)#,,174.967(1) -71-Lu-156,155.95291(32)#,,174.967(1) -71-Lu-157,156.950102(23),,174.967(1) -71-Lu-158,157.94917(13)#,,174.967(1) -71-Lu-159,158.946620(50),,174.967(1) -71-Lu-160,159.94602(25)#,,174.967(1) -71-Lu-161,160.94354(26)#,,174.967(1) -71-Lu-162,161.94322(24)#,,174.967(1) -71-Lu-163,162.94120(24),,174.967(1) -71-Lu-164,163.94122(13)#,,174.967(1) -71-Lu-165,164.939610(90),,174.967(1) -71-Lu-166,165.93976(17),,174.967(1) -71-Lu-167,166.93831(11),,174.967(1) -71-Lu-168,167.938700(90),,174.967(1) -71-Lu-169,168.937649(6),,174.967(1) -71-Lu-170,169.938472(20),,174.967(1) -71-Lu-171,170.937910(3),,174.967(1) -71-Lu-172,171.939082(4),,174.967(1) -71-Lu-173,172.938927(3),,174.967(1) -71-Lu-174,173.9403335(30),,174.967(1) -71-Lu-175,174.9407679(28),97.41(2),174.967(1) -71-Lu-176,175.9426824(28),2.59(2),174.967(1) -71-Lu-177,176.9437550(28),,174.967(1) -71-Lu-178,177.945951(3),,174.967(1) -71-Lu-179,178.947324(6),,174.967(1) -71-Lu-180,179.949880(80),,174.967(1) -71-Lu-181,180.95197(32)#,,174.967(1) -71-Lu-182,181.95521(32)#,,174.967(1) -71-Lu-183,182.95757(32)#,,174.967(1) -71-Lu-184,183.96117(43)#,,174.967(1) -72-Hf-154,153.96425(75)#,,178.49(2) -72-Hf-155,154.96276(64)#,,178.49(2) -72-Hf-156,155.95925(38)#,,178.49(2) -72-Hf-157,156.95813(32)#,,178.49(2) -72-Hf-158,157.95465(11)#,,178.49(2) -72-Hf-159,158.95400(32)#,,178.49(2) -72-Hf-160,159.950710(40),,178.49(2) -72-Hf-161,160.950330(80),,178.49(2) -72-Hf-162,161.947203(12),,178.49(2) -72-Hf-163,162.94706(34)#,,178.49(2) -72-Hf-164,163.94442(21)#,,178.49(2) -72-Hf-165,164.94454(40)#,,178.49(2) -72-Hf-166,165.94225(32)#,,178.49(2) -72-Hf-167,166.94260(22)#,,178.49(2) -72-Hf-168,167.94063(11)#,,178.49(2) -72-Hf-169,168.941160(90),,178.49(2) -72-Hf-170,169.93965(21)#,,178.49(2) -72-Hf-171,170.94049(21)#,,178.49(2) -72-Hf-172,171.939460(50),,178.49(2) -72-Hf-173,172.94065(11)#,,178.49(2) -72-Hf-174,173.940040(3),0.16(1),178.49(2) -72-Hf-175,174.941503(3),,178.49(2) -72-Hf-176,175.9414018(29),5.26(7),178.49(2) -72-Hf-177,176.9432200(27),18.60(9),178.49(2) -72-Hf-178,177.9436977(27),27.28(7),178.49(2) -72-Hf-179,178.9458151(27),13.62(2),178.49(2) -72-Hf-180,179.9465488(27),35.08(16),178.49(2) -72-Hf-181,180.9490991(28),,178.49(2) -72-Hf-182,181.950553(7),,178.49(2) -72-Hf-183,182.953530(30),,178.49(2) -72-Hf-184,183.955450(40),,178.49(2) -72-Hf-185,184.95878(32)#,,178.49(2) -72-Hf-186,185.96092(32)#,,178.49(2) -73-Ta-156,155.97169(64)#,,180.9479(1) -73-Ta-157,156.96815(64)#,,180.9479(1) -73-Ta-158,157.96637(54)#,,180.9479(1) -73-Ta-159,158.96291(13)#,,180.9479(1) -73-Ta-160,159.96136(33)#,,180.9479(1) -73-Ta-161,160.958370(60),,180.9479(1) -73-Ta-162,161.95715(14)#,,180.9479(1) -73-Ta-163,162.954320(80),,180.9479(1) -73-Ta-164,163.95357(43)#,,180.9479(1) -73-Ta-165,164.95082(24)#,,180.9479(1) -73-Ta-166,165.95047(32)#,,180.9479(1) -73-Ta-167,166.94797(46)#,,180.9479(1) -73-Ta-168,167.94779(39)#,,180.9479(1) -73-Ta-169,168.94592(22)#,,180.9479(1) -73-Ta-170,169.94609(21)#,,180.9479(1) -73-Ta-171,170.94446(22)#,,180.9479(1) -73-Ta-172,171.94474(20),,180.9479(1) -73-Ta-173,172.94354(24)#,,180.9479(1) -73-Ta-174,173.944170(90),,180.9479(1) -73-Ta-175,174.94365(11)#,,180.9479(1) -73-Ta-176,175.94474(11),,180.9479(1) -73-Ta-177,176.944472(4),,180.9479(1) -73-Ta-178,177.94575(11),,180.9479(1) -73-Ta-179,178.945934(6),,180.9479(1) -73-Ta-180,179.947466(3),0.012(2),180.9479(1) -73-Ta-181,180.947996(3),99.988(2),180.9479(1) -73-Ta-182,181.950152(3),,180.9479(1) -73-Ta-183,182.951373(3),,180.9479(1) -73-Ta-184,183.954009(28),,180.9479(1) -73-Ta-185,184.955559(15),,180.9479(1) -73-Ta-186,185.958550(60),,180.9479(1) -73-Ta-187,186.96041(32)#,,180.9479(1) -73-Ta-188,187.96371(32)#,,180.9479(1) -74-W-158,157.97394(75)#,,183.84(1) -74-W-159,158.97228(64)#,,183.84(1) -74-W-160,159.96837(38)#,,183.84(1) -74-W-161,160.96709(33)#,,183.84(1) -74-W-162,161.96334(11)#,,183.84(1) -74-W-163,162.96253(33)#,,183.84(1) -74-W-164,163.958980(40),,183.84(1) -74-W-165,164.958340(90),,183.84(1) -74-W-166,165.955020(13),,183.84(1) -74-W-167,166.95467(33)#,,183.84(1) -74-W-168,167.95186(21)#,,183.84(1) -74-W-169,168.95176(34)#,,183.84(1) -74-W-170,169.94929(51)#,,183.84(1) -74-W-171,170.94946(30)#,,183.84(1) -74-W-172,171.94742(29)#,,183.84(1) -74-W-173,172.94783(40)#,,183.84(1) -74-W-174,173.94616(32)#,,183.84(1) -74-W-175,174.94677(21)#,,183.84(1) -74-W-176,175.94559(21)#,,183.84(1) -74-W-177,176.94662(32)#,,183.84(1) -74-W-178,177.94585(11),,183.84(1) -74-W-179,178.947072(17),,183.84(1) -74-W-180,179.946706(5),0.12(1),183.84(1) -74-W-181,180.948198(6),,183.84(1) -74-W-182,181.948206(3),26.50(16),183.84(1) -74-W-183,182.9502245(29),14.31(4),183.84(1) -74-W-184,183.9509326(29),30.64(2),183.84(1) -74-W-185,184.9534206(30),,183.84(1) -74-W-186,185.954362(3),28.43(19),183.84(1) -74-W-187,186.957158(3),,183.84(1) -74-W-188,187.958487(4),,183.84(1) -74-W-189,188.96191(21),,183.84(1) -74-W-190,189.96318(24),,183.84(1) -75-Re-160,159.98149(64)#,,186.207(1) -75-Re-161,160.97766(64)#,,186.207(1) -75-Re-162,161.97571(55)#,,186.207(1) -75-Re-163,162.97197(12)#,,186.207(1) -75-Re-164,163.97032(33)#,,186.207(1) -75-Re-165,164.967050(80),,186.207(1) -75-Re-166,165.96580(15)#,,186.207(1) -75-Re-167,166.96256(14)#,,186.207(1) -75-Re-168,167.96161(43)#,,186.207(1) -75-Re-169,168.95883(22)#,,186.207(1) -75-Re-170,169.95816(43)#,,186.207(1) -75-Re-171,170.95555(37)#,,186.207(1) -75-Re-172,171.95529(33)#,,186.207(1) -75-Re-173,172.95306(48)#,,186.207(1) -75-Re-174,173.95311(44)#,,186.207(1) -75-Re-175,174.95139(48)#,,186.207(1) -75-Re-176,175.95157(21)#,,186.207(1) -75-Re-177,176.95027(21)#,,186.207(1) -75-Re-178,177.95085(22),,186.207(1) -75-Re-179,178.949980(60),,186.207(1) -75-Re-180,179.950790(40),,186.207(1) -75-Re-181,180.950065(15),,186.207(1) -75-Re-182,181.95121(11),,186.207(1) -75-Re-183,182.950821(9),,186.207(1) -75-Re-184,183.952524(6),,186.207(1) -75-Re-185,184.9529557(30),37.40(2),186.207(1) -75-Re-186,185.954987(3),,186.207(1) -75-Re-187,186.9557508(30),62.60(2),186.207(1) -75-Re-188,187.9581123(30),,186.207(1) -75-Re-189,188.959228(9),,186.207(1) -75-Re-190,189.96182(23),,186.207(1) -75-Re-191,190.963124(11),,186.207(1) -75-Re-192,191.96596(21)#,,186.207(1) -76-Os-162,161.98382(75)#,,190.23(3) -76-Os-163,162.98205(64)#,,190.23(3) -76-Os-164,163.97793(38)#,,190.23(3) -76-Os-165,164.97648(33)#,,190.23(3) -76-Os-166,165.97253(11)#,,190.23(3) -76-Os-167,166.97155(33)#,,190.23(3) -76-Os-168,167.967830(40),,190.23(3) -76-Os-169,168.967080(90),,190.23(3) -76-Os-170,169.963570(14),,190.23(3) -76-Os-171,170.96304(33)#,,190.23(3) -76-Os-172,171.96008(21)#,,190.23(3) -76-Os-173,172.95979(33)#,,190.23(3) -76-Os-174,173.95712(50)#,,190.23(3) -76-Os-175,174.95708(32)#,,190.23(3) -76-Os-176,175.95495(22)#,,190.23(3) -76-Os-177,176.95505(30)#,,190.23(3) -76-Os-178,177.95335(22),,190.23(3) -76-Os-179,178.95395(25)#,,190.23(3) -76-Os-180,179.95235(20)#,,190.23(3) -76-Os-181,180.95327(22),,190.23(3) -76-Os-182,181.952186(27),,190.23(3) -76-Os-183,182.95311(11)#,,190.23(3) -76-Os-184,183.952491(3),0.02(1),190.23(3) -76-Os-185,184.954043(3),,190.23(3) -76-Os-186,185.953838(3),1.59(3),190.23(3) -76-Os-187,186.9557479(30),1.96(2),190.23(3) -76-Os-188,187.9558360(30),13.24(8),190.23(3) -76-Os-189,188.9581449(30),16.15(5),190.23(3) -76-Os-190,189.958445(3),26.26(2),190.23(3) -76-Os-191,190.960928(3),,190.23(3) -76-Os-192,191.961479(4),40.78(19),190.23(3) -76-Os-193,192.964148(4),,190.23(3) -76-Os-194,193.965179(4),,190.23(3) -76-Os-195,194.96812(54),,190.23(3) -76-Os-196,195.969620(40),,190.23(3) -77-Ir-165,164.98758(43)#,,192.217(3) -77-Ir-166,165.98551(55)#,,192.217(3) -77-Ir-167,166.98154(11)#,,192.217(3) -77-Ir-168,167.97997(35)#,,192.217(3) -77-Ir-169,168.97639(10),,192.217(3) -77-Ir-170,169.97503(16)#,,192.217(3) -77-Ir-171,170.97178(14)#,,192.217(3) -77-Ir-172,171.97064(43)#,,192.217(3) -77-Ir-173,172.96771(25)#,,192.217(3) -77-Ir-174,173.96680(43)#,,192.217(3) -77-Ir-175,174.96428(37)#,,192.217(3) -77-Ir-176,175.96351(33)#,,192.217(3) -77-Ir-177,176.96117(48)#,,192.217(3) -77-Ir-178,177.96108(39)#,,192.217(3) -77-Ir-179,178.95915(43)#,,192.217(3) -77-Ir-180,179.95925(21)#,,192.217(3) -77-Ir-181,180.95764(23),,192.217(3) -77-Ir-182,181.95813(15),,192.217(3) -77-Ir-183,182.95681(15)#,,192.217(3) -77-Ir-184,183.95739(29),,192.217(3) -77-Ir-185,184.95659(21)#,,192.217(3) -77-Ir-186,185.957951(22),,192.217(3) -77-Ir-187,186.957361(7),,192.217(3) -77-Ir-188,187.958852(8),,192.217(3) -77-Ir-189,188.958716(14),,192.217(3) -77-Ir-190,189.96059(21),,192.217(3) -77-Ir-191,190.960591(3),37.3(2),192.217(3) -77-Ir-192,191.962602(3),,192.217(3) -77-Ir-193,192.962924(3),62.7(2),192.217(3) -77-Ir-194,193.965076(3),,192.217(3) -77-Ir-195,194.965977(3),,192.217(3) -77-Ir-196,195.968380(40),,192.217(3) -77-Ir-197,196.969636(22),,192.217(3) -77-Ir-198,197.97228(21)#,,192.217(3) -77-Ir-199,198.973790(40),,192.217(3) -78-Pt-168,167.98804(38)#,,195.078(2) -78-Pt-169,168.98642(34)#,,195.078(2) -78-Pt-170,169.98233(11)#,,195.078(2) -78-Pt-171,170.98125(34)#,,195.078(2) -78-Pt-172,171.977380(40),,195.078(2) -78-Pt-173,172.97650(11),,195.078(2) -78-Pt-174,173.972811(14),,195.078(2) -78-Pt-175,174.97228(33)#,,195.078(2) -78-Pt-176,175.96900(21)#,,195.078(2) -78-Pt-177,176.96845(33)#,,195.078(2) -78-Pt-178,177.96571(50)#,,195.078(2) -78-Pt-179,178.96548(32)#,,195.078(2) -78-Pt-180,179.96322(22)#,,195.078(2) -78-Pt-181,180.96318(30)#,,195.078(2) -78-Pt-182,181.96127(22),,195.078(2) -78-Pt-183,182.96173(25)#,,195.078(2) -78-Pt-184,183.95990(20)#,,195.078(2) -78-Pt-185,184.96075(22),,195.078(2) -78-Pt-186,185.959430(30),,195.078(2) -78-Pt-187,186.96056(20)#,,195.078(2) -78-Pt-188,187.959396(6),,195.078(2) -78-Pt-189,188.960832(12),,195.078(2) -78-Pt-190,189.959930(7),0.014(1),195.078(2) -78-Pt-191,190.961685(5),,195.078(2) -78-Pt-192,191.961035(4),0.782(7),195.078(2) -78-Pt-193,192.962985(3),,195.078(2) -78-Pt-194,193.962664(3),32.967(99),195.078(2) -78-Pt-195,194.964774(3),33.832(10),195.078(2) -78-Pt-196,195.964935(3),25.242(41),195.078(2) -78-Pt-197,196.967323(3),,195.078(2) -78-Pt-198,197.967876(4),7.163(55),195.078(2) -78-Pt-199,198.970576(5),,195.078(2) -78-Pt-200,199.971424(22),,195.078(2) -78-Pt-201,200.974500(50),,195.078(2) -78-Pt-202,201.97574(32)#,,195.078(2) -79-Au-171,170.99177(27)#,,196.96655(2) -79-Au-172,171.99011(36)#,,196.96655(2) -79-Au-173,172.98640(11),,196.96655(2) -79-Au-174,173.98492(16)#,,196.96655(2) -79-Au-175,174.98155(26)#,,196.96655(2) -79-Au-176,175.98027(43)#,,196.96655(2) -79-Au-177,176.97722(25)#,,196.96655(2) -79-Au-178,177.97598(43)#,,196.96655(2) -79-Au-179,178.97341(37)#,,196.96655(2) -79-Au-180,179.97240(32)#,,196.96655(2) -79-Au-181,180.96995(48)#,,196.96655(2) -79-Au-182,181.96962(39)#,,196.96655(2) -79-Au-183,182.96762(43)#,,196.96655(2) -79-Au-184,183.96747(21)#,,196.96655(2) -79-Au-185,184.96581(23),,196.96655(2) -79-Au-186,185.96600(15),,196.96655(2) -79-Au-187,186.96456(16)#,,196.96655(2) -79-Au-188,187.96509(11)#,,196.96655(2) -79-Au-189,188.96389(22)#,,196.96655(2) -79-Au-190,189.964699(17),,196.96655(2) -79-Au-191,190.963650(50),,196.96655(2) -79-Au-192,191.964810(17),,196.96655(2) -79-Au-193,192.964132(10),,196.96655(2) -79-Au-194,193.965339(12),,196.96655(2) -79-Au-195,194.965018(3),,196.96655(2) -79-Au-196,195.966551(4),,196.96655(2) -79-Au-197,196.966552(3),100,196.96655(2) -79-Au-198,197.968225(3),,196.96655(2) -79-Au-199,198.968748(3),,196.96655(2) -79-Au-200,199.970720(60),,196.96655(2) -79-Au-201,200.971641(5),,196.96655(2) -79-Au-202,201.97379(18),,196.96655(2) -79-Au-203,202.975137(5),,196.96655(2) -79-Au-204,203.97771(22)#,,196.96655(2) -79-Au-205,204.97961(32)#,,196.96655(2) -80-Hg-175,174.99141(34)#,,200.59(2) -80-Hg-176,175.987410(40),,200.59(2) -80-Hg-177,176.98634(12),,200.59(2) -80-Hg-178,177.982476(16),,200.59(2) -80-Hg-179,178.98178(33)#,,200.59(2) -80-Hg-180,179.97832(21)#,,200.59(2) -80-Hg-181,180.97781(33)#,,200.59(2) -80-Hg-182,181.97475(50)#,,200.59(2) -80-Hg-183,182.97456(32)#,,200.59(2) -80-Hg-184,183.97190(22)#,,200.59(2) -80-Hg-185,184.97198(30)#,,200.59(2) -80-Hg-186,185.96946(22),,200.59(2) -80-Hg-187,186.96979(26)#,,200.59(2) -80-Hg-188,187.96756(19)#,,200.59(2) -80-Hg-189,188.96813(30)#,,200.59(2) -80-Hg-190,189.96628(16)#,,200.59(2) -80-Hg-191,190.967060(90),,200.59(2) -80-Hg-192,191.96557(30)#,,200.59(2) -80-Hg-193,192.966644(21),,200.59(2) -80-Hg-194,193.965382(25),,200.59(2) -80-Hg-195,194.966640(50),,200.59(2) -80-Hg-196,195.965815(4),0.15(1),200.59(2) -80-Hg-197,196.967195(5),,200.59(2) -80-Hg-198,197.966752(3),9.97(20),200.59(2) -80-Hg-199,198.968262(3),16.87(22),200.59(2) -80-Hg-200,199.968309(3),23.10(19),200.59(2) -80-Hg-201,200.970285(3),13.18(9),200.59(2) -80-Hg-202,201.970626(3),29.86(26),200.59(2) -80-Hg-203,202.972857(3),,200.59(2) -80-Hg-204,203.973476(3),6.87(15),200.59(2) -80-Hg-205,204.976056(5),,200.59(2) -80-Hg-206,205.977499(22),,200.59(2) -80-Hg-207,206.98258(16),,200.59(2) -80-Hg-208,207.98594(32)#,,200.59(2) -81-Tl-177,176.99688(24)#,,204.3833(2) -81-Tl-178,177.99523(23)#,,204.3833(2) -81-Tl-179,178.99147(15)#,,204.3833(2) -81-Tl-180,179.99019(48)#,,204.3833(2) -81-Tl-181,180.98690(41)#,,204.3833(2) -81-Tl-182,181.98561(43)#,,204.3833(2) -81-Tl-183,182.98270(42)#,,204.3833(2) -81-Tl-184,183.98176(32)#,,204.3833(2) -81-Tl-185,184.97910(43)#,,204.3833(2) -81-Tl-186,185.97855(39)#,,204.3833(2) -81-Tl-187,186.97617(43)#,,204.3833(2) -81-Tl-188,187.97592(24)#,,204.3833(2) -81-Tl-189,188.97369(37)#,,204.3833(2) -81-Tl-190,189.97379(46)#,,204.3833(2) -81-Tl-191,190.97189(23)#,,204.3833(2) -81-Tl-192,191.97214(22)#,,204.3833(2) -81-Tl-193,192.97055(27)#,,204.3833(2) -81-Tl-194,193.97105(22)#,,204.3833(2) -81-Tl-195,194.96965(14)#,,204.3833(2) -81-Tl-196,195.97052(15)#,,204.3833(2) -81-Tl-197,196.969540(30),,204.3833(2) -81-Tl-198,197.970470(90),,204.3833(2) -81-Tl-199,198.96981(11),,204.3833(2) -81-Tl-200,199.970945(7),,204.3833(2) -81-Tl-201,200.970804(16),,204.3833(2) -81-Tl-202,201.972091(16),,204.3833(2) -81-Tl-203,202.972329(3),29.524(14),204.3833(2) -81-Tl-204,203.973849(3),,204.3833(2) -81-Tl-205,204.974412(3),70.476(14),204.3833(2) -81-Tl-206,205.976095(3),,204.3833(2) -81-Tl-207,206.977408(6),,204.3833(2) -81-Tl-208,207.982005(3),,204.3833(2) -81-Tl-209,208.985349(10),,204.3833(2) -81-Tl-210,209.990066(12),,204.3833(2) -82-Pb-181,180.99671(17)#,,207.2(1) -82-Pb-182,181.992676(18),,207.2(1) -82-Pb-183,182.99193(33)#,,207.2(1) -82-Pb-184,183.98820(21)#,,207.2(1) -82-Pb-185,184.98758(33)#,,207.2(1) -82-Pb-186,185.98430(50)#,,207.2(1) -82-Pb-187,186.98403(32)#,,207.2(1) -82-Pb-188,187.98106(22)#,,207.2(1) -82-Pb-189,188.98088(29)#,,207.2(1) -82-Pb-190,189.97818(22),,207.2(1) -82-Pb-191,190.97820(23)#,,207.2(1) -82-Pb-192,191.97576(19)#,,207.2(1) -82-Pb-193,192.97608(20)#,,207.2(1) -82-Pb-194,193.97397(16)#,,207.2(1) -82-Pb-195,194.97447(44)#,,207.2(1) -82-Pb-196,195.97271(15)#,,207.2(1) -82-Pb-197,196.97338(11)#,,207.2(1) -82-Pb-198,197.97198(10)#,,207.2(1) -82-Pb-199,198.972910(70),,207.2(1) -82-Pb-200,199.971816(14),,207.2(1) -82-Pb-201,200.972850(30),,207.2(1) -82-Pb-202,201.972144(11),,207.2(1) -82-Pb-203,202.973375(7),,207.2(1) -82-Pb-204,203.973029(3),1.4(1),207.2(1) -82-Pb-205,204.974467(3),,207.2(1) -82-Pb-206,205.974449(3),24.1(1),207.2(1) -82-Pb-207,206.975881(3),22.1(1),207.2(1) -82-Pb-208,207.976636(3),52.4(1),207.2(1) -82-Pb-209,208.981075(3),,207.2(1) -82-Pb-210,209.984173(3),,207.2(1) -82-Pb-211,210.988731(3),,207.2(1) -82-Pb-212,211.9918875(29),,207.2(1) -82-Pb-213,212.99650(11)#,,207.2(1) -82-Pb-214,213.9997981(27),,207.2(1) -83-Bi-185,184.99771(24)#,,208.98038(2) -83-Bi-186,185.99648(48)#,,208.98038(2) -83-Bi-187,186.99346(41)#,,208.98038(2) -83-Bi-188,187.99217(32)#,,208.98038(2) -83-Bi-189,188.98951(43)#,,208.98038(2) -83-Bi-190,189.98852(39)#,,208.98038(2) -83-Bi-191,190.98605(43)#,,208.98038(2) -83-Bi-192,191.98537(24)#,,208.98038(2) -83-Bi-193,192.98306(37)#,,208.98038(2) -83-Bi-194,193.98275(46)#,,208.98038(2) -83-Bi-195,194.98075(23)#,,208.98038(2) -83-Bi-196,195.98061(22)#,,208.98038(2) -83-Bi-197,196.97893(26),,208.98038(2) -83-Bi-198,197.97902(19),,208.98038(2) -83-Bi-199,198.97758(13),,208.98038(2) -83-Bi-200,199.97814(10),,208.98038(2) -83-Bi-201,200.976970(30),,208.98038(2) -83-Bi-202,201.977670(60),,208.98038(2) -83-Bi-203,202.976868(23),,208.98038(2) -83-Bi-204,203.977805(28),,208.98038(2) -83-Bi-205,204.977375(8),,208.98038(2) -83-Bi-206,205.978483(9),,208.98038(2) -83-Bi-207,206.978455(4),,208.98038(2) -83-Bi-208,207.979727(4),,208.98038(2) -83-Bi-209,208.980383(3),100,208.98038(2) -83-Bi-210,209.984105(3),,208.98038(2) -83-Bi-211,210.987258(6),,208.98038(2) -83-Bi-212,211.991272(3),,208.98038(2) -83-Bi-213,212.994375(8),,208.98038(2) -83-Bi-214,213.998699(12),,208.98038(2) -83-Bi-215,215.00183(10),,208.98038(2) -83-Bi-216,216.00620(11)#,,208.98038(2) -84-Po-190,189.99511(51)#,,[209] -84-Po-191,190.99465(32)#,,[209] -84-Po-192,191.99152(22)#,,[209] -84-Po-193,192.99110(30)#,,[209] -84-Po-194,193.98828(22),,[209] -84-Po-195,194.98805(24)#,,[209] -84-Po-196,195.98551(19)#,,[209] -84-Po-197,196.98557(21)#,,[209] -84-Po-198,197.98334(16)#,,[209] -84-Po-199,198.98360(44)#,,[209] -84-Po-200,199.98174(15)#,,[209] -84-Po-201,200.98221(11)#,,[209] -84-Po-202,201.98070(10)#,,[209] -84-Po-203,202.981410(70),,[209] -84-Po-204,203.980307(14),,[209] -84-Po-205,204.981170(30),,[209] -84-Po-206,205.980465(11),,[209] -84-Po-207,206.981578(8),,[209] -84-Po-208,207.981231(3),,[209] -84-Po-209,208.982416(3),,[209] -84-Po-210,209.982857(3),,[209] -84-Po-211,210.986637(3),,[209] -84-Po-212,211.988852(3),,[209] -84-Po-213,212.992843(4),,[209] -84-Po-214,213.995186(3),,[209] -84-Po-215,214.999415(3),,[209] -84-Po-216,216.0019052(29),,[209] -84-Po-217,217.00625(11)#,,[209] -84-Po-218,218.0089658(27),,[209] -85-At-193,193.00019(43)#,,[210] -85-At-194,193.99897(43)#,,[210] -85-At-195,194.99655(43)#,,[210] -85-At-196,195.99570(25)#,,[210] -85-At-197,196.99329(38)#,,[210] -85-At-198,197.99275(46)#,,[210] -85-At-199,198.99063(24)#,,[210] -85-At-200,199.99029(22)#,,[210] -85-At-201,200.98849(26),,[210] -85-At-202,201.98845(19),,[210] -85-At-203,202.98685(13),,[210] -85-At-204,203.98726(10),,[210] -85-At-205,204.986040(30),,[210] -85-At-206,205.986600(60),,[210] -85-At-207,206.985776(23),,[210] -85-At-208,207.986583(28),,[210] -85-At-209,208.986159(9),,[210] -85-At-210,209.987131(9),,[210] -85-At-211,210.987481(4),,[210] -85-At-212,211.990735(4),,[210] -85-At-213,212.992921(6),,[210] -85-At-214,213.996356(5),,[210] -85-At-215,214.998641(8),,[210] -85-At-216,216.002409(5),,[210] -85-At-217,217.004710(8),,[210] -85-At-218,218.008681(13),,[210] -85-At-219,219.011300(90),,[210] -85-At-220,220.01530(12)#,,[210] -85-At-221,221.01814(32)#,,[210] -85-At-222,222.02233(32)#,,[210] -85-At-223,223.02534(43)#,,[210] -86-Rn-196,196.00231(22)#,,[222] -86-Rn-197,197.00166(30)#,,[222] -86-Rn-198,197.99878(22),,[222] -86-Rn-199,198.99831(24)#,,[222] -86-Rn-200,199.99568(19)#,,[222] -86-Rn-201,200.99554(21)#,,[222] -86-Rn-202,201.99322(16)#,,[222] -86-Rn-203,202.99332(44)#,,[222] -86-Rn-204,203.99137(15)#,,[222] -86-Rn-205,204.99167(12)#,,[222] -86-Rn-206,205.99016(10)#,,[222] -86-Rn-207,206.990730(70),,[222] -86-Rn-208,207.989631(14),,[222] -86-Rn-209,208.990380(30),,[222] -86-Rn-210,209.989680(11),,[222] -86-Rn-211,210.990585(8),,[222] -86-Rn-212,211.990689(4),,[222] -86-Rn-213,212.993868(8),,[222] -86-Rn-214,213.995346(10),,[222] -86-Rn-215,214.998729(9),,[222] -86-Rn-216,216.000258(8),,[222] -86-Rn-217,217.003915(5),,[222] -86-Rn-218,218.005586(4),,[222] -86-Rn-219,219.009475(3),,[222] -86-Rn-220,220.0113841(29),,[222] -86-Rn-221,221.01546(11)#,,[222] -86-Rn-222,222.0175705(27),,[222] -86-Rn-223,223.02179(32)#,,[222] -86-Rn-224,224.02409(32)#,,[222] -86-Rn-225,225.02844(32)#,,[222] -86-Rn-226,226.03089(43)#,,[222] -86-Rn-227,227.03541(45)#,,[222] -86-Rn-228,228.03808(50)#,,[222] -87-Fr-200,200.00650(25)#,,[223] -87-Fr-201,201.00399(38)#,,[223] -87-Fr-202,202.00329(46)#,,[223] -87-Fr-203,203.00105(25)#,,[223] -87-Fr-204,204.00059(22)#,,[223] -87-Fr-205,204.99866(25),,[223] -87-Fr-206,205.99849(19),,[223] -87-Fr-207,206.99686(12),,[223] -87-Fr-208,207.997130(80),,[223] -87-Fr-209,208.995920(30),,[223] -87-Fr-210,209.996398(23),,[223] -87-Fr-211,210.995529(22),,[223] -87-Fr-212,211.996195(28),,[223] -87-Fr-213,212.996175(9),,[223] -87-Fr-214,213.998955(10),,[223] -87-Fr-215,215.000326(8),,[223] -87-Fr-216,216.003188(14),,[223] -87-Fr-217,217.004616(8),,[223] -87-Fr-218,218.007563(6),,[223] -87-Fr-219,219.009241(8),,[223] -87-Fr-220,220.012313(5),,[223] -87-Fr-221,221.014246(8),,[223] -87-Fr-222,222.017544(23),,[223] -87-Fr-223,223.0197307(29),,[223] -87-Fr-224,224.023240(50),,[223] -87-Fr-225,225.025607(11),,[223] -87-Fr-226,226.02934(10),,[223] -87-Fr-227,227.03183(10),,[223] -87-Fr-228,228.03572(22)#,,[223] -87-Fr-229,229.03843(39)#,,[223] -87-Fr-230,230.04251(48)#,,[223] -87-Fr-231,231.04541(56)#,,[223] -87-Fr-232,232.04965(69)#,,[223] -88-Ra-203,203.00921(25)#,,[226] -88-Ra-204,204.00648(19)#,,[226] -88-Ra-205,205.00619(22)#,,[226] -88-Ra-206,206.00378(16)#,,[226] -88-Ra-207,207.00373(45)#,,[226] -88-Ra-208,208.00178(15)#,,[226] -88-Ra-209,209.00194(13)#,,[226] -88-Ra-210,210.00045(10)#,,[226] -88-Ra-211,211.000890(70),,[226] -88-Ra-212,211.999783(15),,[226] -88-Ra-213,213.000350(30),,[226] -88-Ra-214,214.000091(12),,[226] -88-Ra-215,215.002704(9),,[226] -88-Ra-216,216.003518(10),,[226] -88-Ra-217,217.006306(10),,[226] -88-Ra-218,218.007124(12),,[226] -88-Ra-219,219.010069(9),,[226] -88-Ra-220,220.011015(11),,[226] -88-Ra-221,221.013908(8),,[226] -88-Ra-222,222.015362(5),,[226] -88-Ra-223,223.018497(3),,[226] -88-Ra-224,224.0202020(29),,[226] -88-Ra-225,225.023604(3),,[226] -88-Ra-226,226.0254026(27),,[226] -88-Ra-227,227.0291707(27),,[226] -88-Ra-228,228.0310641(27),,[226] -88-Ra-229,229.034820(70),,[226] -88-Ra-230,230.037080(40),,[226] -88-Ra-231,231.04122(32)#,,[226] -88-Ra-232,232.04369(39)#,,[226] -88-Ra-233,233.04800(50)#,,[226] -88-Ra-234,234.05055(58)#,,[226] -89-Ac-207,207.01209(25)#,,[227] -89-Ac-208,208.01149(22)#,,[227] -89-Ac-209,209.00957(26),,[227] -89-Ac-210,210.00926(20),,[227] -89-Ac-211,211.00765(14),,[227] -89-Ac-212,212.00781(10),,[227] -89-Ac-213,213.006570(60),,[227] -89-Ac-214,214.006890(60),,[227] -89-Ac-215,215.006450(60),,[227] -89-Ac-216,216.008721(29),,[227] -89-Ac-217,217.009333(14),,[227] -89-Ac-218,218.011630(50),,[227] -89-Ac-219,219.012400(50),,[227] -89-Ac-220,220.014750(60),,[227] -89-Ac-221,221.015580(50),,[227] -89-Ac-222,222.017829(6),,[227] -89-Ac-223,223.019126(8),,[227] -89-Ac-224,224.021708(5),,[227] -89-Ac-225,225.023221(8),,[227] -89-Ac-226,226.026090(4),,[227] -89-Ac-227,227.0277470(29),,[227] -89-Ac-228,228.0310148(28),,[227] -89-Ac-229,229.032930(50),,[227] -89-Ac-230,230.03603(11),,[227] -89-Ac-231,231.03855(11),,[227] -89-Ac-232,232.04202(11),,[227] -89-Ac-233,233.04455(32)#,,[227] -89-Ac-234,234.04842(43)#,,[227] -89-Ac-235,235.05110(45)#,,[227] -89-Ac-236,236.05518(54)#,,[227] -90-Th-210,210.01503(17)#,,232.0381(1) -90-Th-211,211.01486(45)#,,232.0381(1) -90-Th-212,212.01292(15)#,,232.0381(1) -90-Th-213,213.01296(14)#,,232.0381(1) -90-Th-214,214.01145(10)#,,232.0381(1) -90-Th-215,215.011730(70),,232.0381(1) -90-Th-216,216.011051(17),,232.0381(1) -90-Th-217,217.013070(30),,232.0381(1) -90-Th-218,218.013268(15),,232.0381(1) -90-Th-219,219.015520(50),,232.0381(1) -90-Th-220,220.015733(24),,232.0381(1) -90-Th-221,221.018171(11),,232.0381(1) -90-Th-222,222.018454(14),,232.0381(1) -90-Th-223,223.020795(10),,232.0381(1) -90-Th-224,224.021459(13),,232.0381(1) -90-Th-225,225.023941(8),,232.0381(1) -90-Th-226,226.024891(5),,232.0381(1) -90-Th-227,227.027699(3),,232.0381(1) -90-Th-228,228.0287313(29),,232.0381(1) -90-Th-229,229.031755(3),,232.0381(1) -90-Th-230,230.0331266(22),,232.0381(1) -90-Th-231,231.0362971(22),,232.0381(1) -90-Th-232,232.0380504(22),100,232.0381(1) -90-Th-233,233.0415769(22),,232.0381(1) -90-Th-234,234.043595(4),,232.0381(1) -90-Th-235,235.047500(50),,232.0381(1) -90-Th-236,236.04971(32)#,,232.0381(1) -90-Th-237,237.05389(39)#,,232.0381(1) -90-Th-238,238.05624(39)#,,232.0381(1) -91-Pa-213,213.02118(27),,231.03588(2) -91-Pa-214,214.02074(21),,231.03588(2) -91-Pa-215,215.01910(15),,231.03588(2) -91-Pa-216,216.01911(11),,231.03588(2) -91-Pa-217,217.018290(80),,231.03588(2) -91-Pa-218,218.020010(80),,231.03588(2) -91-Pa-219,219.019880(80),,231.03588(2) -91-Pa-220,220.021880(60),,231.03588(2) -91-Pa-221,221.021860(60),,231.03588(2) -91-Pa-222,222.023730(80)#,,231.03588(2) -91-Pa-223,223.023960(80),,231.03588(2) -91-Pa-224,224.025610(60),,231.03588(2) -91-Pa-225,225.026120(80),,231.03588(2) -91-Pa-226,226.027933(13),,231.03588(2) -91-Pa-227,227.028793(8),,231.03588(2) -91-Pa-228,228.031037(5),,231.03588(2) -91-Pa-229,229.032089(10),,231.03588(2) -91-Pa-230,230.034533(4),,231.03588(2) -91-Pa-231,231.0358789(28),100,231.03588(2) -91-Pa-232,232.038582(8),,231.03588(2) -91-Pa-233,233.0402402(24),,231.03588(2) -91-Pa-234,234.043302(5),,231.03588(2) -91-Pa-235,235.045440(50),,231.03588(2) -91-Pa-236,236.04868(21),,231.03588(2) -91-Pa-237,237.05114(11),,231.03588(2) -91-Pa-238,238.054500(60),,231.03588(2) -91-Pa-239,239.05713(32)#,,231.03588(2) -91-Pa-240,240.06098(32)#,,231.03588(2) -92-U-218,218.02349(10)#,,238.02891(3) -92-U-219,219.024920(90),,238.02891(3) -92-U-220,220.02471(22)#,,238.02891(3) -92-U-221,221.02635(11)#,,238.02891(3) -92-U-222,222.02607(11)#,,238.02891(3) -92-U-223,223.027720(80),,238.02891(3) -92-U-224,224.027590(27),,238.02891(3) -92-U-225,225.029380(50),,238.02891(3) -92-U-226,226.029340(20),,238.02891(3) -92-U-227,227.031140(18),,238.02891(3) -92-U-228,228.031366(17),,238.02891(3) -92-U-229,229.033496(9),,238.02891(3) -92-U-230,230.033927(5),,238.02891(3) -92-U-231,231.036289(4),,238.02891(3) -92-U-232,232.0371463(29),,238.02891(3) -92-U-233,233.039628(3),,238.02891(3) -92-U-234,234.0409456(21),0.0055(2),238.02891(3) -92-U-235,235.0439231(21),0.7200(51),238.02891(3) -92-U-236,236.0455619(21),,238.02891(3) -92-U-237,237.0487240(21),,238.02891(3) -92-U-238,238.0507826(21),99.2745(106),238.02891(3) -92-U-239,239.0542878(21),,238.02891(3) -92-U-240,240.056586(6),,238.02891(3) -92-U-241,241.06033(32)#,,238.02891(3) -92-U-242,242.06293(22)#,,238.02891(3) -93-Np-225,225.033900(80),,[237] -93-Np-226,226.03513(10)#,,[237] -93-Np-227,227.034960(80),,[237] -93-Np-228,228.03618(21)#,,[237] -93-Np-229,229.036250(90),,[237] -93-Np-230,230.037810(60),,[237] -93-Np-231,231.038230(50),,[237] -93-Np-232,232.04010(11)#,,[237] -93-Np-233,233.040730(60),,[237] -93-Np-234,234.042889(9),,[237] -93-Np-235,235.0440559(23),,[237] -93-Np-236,236.046560(50),,[237] -93-Np-237,237.0481673(21),,[237] -93-Np-238,238.0509405(21),,[237] -93-Np-239,239.0529314(23),,[237] -93-Np-240,240.056169(16),,[237] -93-Np-241,241.058250(80),,[237] -93-Np-242,242.06164(22)#,,[237] -93-Np-243,243.064270(30)#,,[237] -93-Np-244,244.06785(32)#,,[237] -94-Pu-228,228.038730(30),,[244] -94-Pu-229,229.040140(80),,[244] -94-Pu-230,230.039646(26),,[244] -94-Pu-231,231.04126(11)#,,[244] -94-Pu-232,232.041179(20),,[244] -94-Pu-233,233.042990(50),,[244] -94-Pu-234,234.043305(8),,[244] -94-Pu-235,235.045282(22),,[244] -94-Pu-236,236.0460481(29),,[244] -94-Pu-237,237.0484038(25),,[244] -94-Pu-238,238.0495534(21),,[244] -94-Pu-239,239.0521565(21),,[244] -94-Pu-240,240.0538075(21),,[244] -94-Pu-241,241.0568453(21),,[244] -94-Pu-242,242.0587368(21),,[244] -94-Pu-243,243.061997(3),,[244] -94-Pu-244,244.064198(5),,[244] -94-Pu-245,245.067739(15),,[244] -94-Pu-246,246.070198(16),,[244] -94-Pu-247,247.07407(32)#,,[244] -95-Am-231,231.04556(32)#,,[243] -95-Am-232,232.04659(32)#,,[243] -95-Am-233,233.04647(23)#,,[243] -95-Am-234,234.04779(22)#,,[243] -95-Am-235,235.04803(22)#,,[243] -95-Am-236,236.04957(11)#,,[243] -95-Am-237,237.049970(60),,[243] -95-Am-238,238.051980(50),,[243] -95-Am-239,239.053018(3),,[243] -95-Am-240,240.055288(15),,[243] -95-Am-241,241.0568229(21),,[243] -95-Am-242,242.0595430(21),,[243] -95-Am-243,243.0613727(23),,[243] -95-Am-244,244.0642794(23),,[243] -95-Am-245,245.066445(4),,[243] -95-Am-246,246.069768(20),,[243] -95-Am-247,247.07209(11)#,,[243] -95-Am-248,248.07575(22)#,,[243] -95-Am-249,249.07848(32)#,,[243] -96-Cm-233,233.05080(43)#,,[247] -96-Cm-234,234.05024(32)#,,[247] -96-Cm-235,235.05159(24)#,,[247] -96-Cm-236,236.05141(22)#,,[247] -96-Cm-237,237.05289(22)#,,[247] -96-Cm-238,238.053020(40),,[247] -96-Cm-239,239.05495(11)#,,[247] -96-Cm-240,240.0555190(29),,[247] -96-Cm-241,241.0576467(24),,[247] -96-Cm-242,242.0588293(21),,[247] -96-Cm-243,243.0613822(24),,[247] -96-Cm-244,244.0627463(21),,[247] -96-Cm-245,245.0654856(29),,[247] -96-Cm-246,246.0672176(24),,[247] -96-Cm-247,247.070347(5),,[247] -96-Cm-248,248.072342(5),,[247] -96-Cm-249,249.075947(5),,[247] -96-Cm-250,250.078351(12),,[247] -96-Cm-251,251.082278(24),,[247] -96-Cm-252,252.08487(32)#,,[247] -97-Bk-235,235.05658(43)#,,[247] -97-Bk-236,236.05733(43)#,,[247] -97-Bk-237,237.05713(32)#,,[247] -97-Bk-238,238.05827(31)#,,[247] -97-Bk-239,239.05836(31)#,,[247] -97-Bk-240,240.05975(16)#,,[247] -97-Bk-241,241.06022(22)#,,[247] -97-Bk-242,242.06205(22)#,,[247] -97-Bk-243,243.063002(5),,[247] -97-Bk-244,244.065168(16),,[247] -97-Bk-245,245.0663554(26),,[247] -97-Bk-246,246.068670(60),,[247] -97-Bk-247,247.070299(6),,[247] -97-Bk-248,248.073080(80)#,,[247] -97-Bk-249,249.074980(3),,[247] -97-Bk-250,250.078311(4),,[247] -97-Bk-251,251.080753(12),,[247] -97-Bk-252,252.08430(22)#,,[247] -97-Bk-253,253.08688(39)#,,[247] -97-Bk-254,254.09060(32)#,,[247] -98-Cf-237,237.06207(54)#,,[251] -98-Cf-238,238.06141(43)#,,[251] -98-Cf-239,239.06258(25)#,,[251] -98-Cf-240,240.06230(22)#,,[251] -98-Cf-241,241.06372(27)#,,[251] -98-Cf-242,242.063690(40),,[251] -98-Cf-243,243.06542(15)#,,[251] -98-Cf-244,244.065990(4),,[251] -98-Cf-245,245.06804(11)#,,[251] -98-Cf-246,246.0687988(24),,[251] -98-Cf-247,247.070992(9),,[251] -98-Cf-248,248.072178(6),,[251] -98-Cf-249,249.074847(3),,[251] -98-Cf-250,250.0764000(24),,[251] -98-Cf-251,251.079580(5),,[251] -98-Cf-252,252.081620(5),,[251] -98-Cf-253,253.085127(7),,[251] -98-Cf-254,254.087316(13),,[251] -98-Cf-255,255.09104(22)#,,[251] -98-Cf-256,256.09344(32)#,,[251] -99-Es-240,240.06892(43)#,,[252] -99-Es-241,241.06866(32)#,,[252] -99-Es-242,242.06970(35)#,,[252] -99-Es-243,243.06963(31)#,,[252] -99-Es-244,244.07097(20)#,,[252] -99-Es-245,245.07132(22)#,,[252] -99-Es-246,246.07297(24)#,,[252] -99-Es-247,247.073650(30)#,,[252] -99-Es-248,248.075460(60)#,,[252] -99-Es-249,249.076410(30)#,,[252] -99-Es-250,250.07865(11)#,,[252] -99-Es-251,251.079984(7),,[252] -99-Es-252,252.082970(50),,[252] -99-Es-253,253.084818(3),,[252] -99-Es-254,254.088016(5),,[252] -99-Es-255,255.090266(12),,[252] -99-Es-256,256.09359(11)#,,[252] -99-Es-257,257.09598(44)#,,[252] -100-Fm-242,242.07343(43)#,,[257] -100-Fm-243,243.07451(25)#,,[257] -100-Fm-244,244.07408(31)#,,[257] -100-Fm-245,245.07538(30)#,,[257] -100-Fm-246,246.075280(40),,[257] -100-Fm-247,247.07682(16)#,,[257] -100-Fm-248,248.077184(13),,[257] -100-Fm-249,249.07902(15)#,,[257] -100-Fm-250,250.079515(13),,[257] -100-Fm-251,251.081566(9),,[257] -100-Fm-252,252.082460(6),,[257] -100-Fm-253,253.085176(5),,[257] -100-Fm-254,254.086848(3),,[257] -100-Fm-255,255.089955(5),,[257] -100-Fm-256,256.091767(8),,[257] -100-Fm-257,257.095099(7),,[257] -100-Fm-258,258.09707(22)#,,[257] -100-Fm-259,259.10059(30)#,,[257] -101-Md-245,245.08102(40)#,,[258] -101-Md-246,246.08193(41)#,,[258] -101-Md-247,247.08180(39)#,,[258] -101-Md-248,248.08291(26)#,,[258] -101-Md-249,249.08300(24)#,,[258] -101-Md-250,250.08449(32)#,,[258] -101-Md-251,251.08492(22)#,,[258] -101-Md-252,252.08663(21)#,,[258] -101-Md-253,253.08728(22)#,,[258] -101-Md-254,254.08973(11)#,,[258] -101-Md-255,255.091075(8),,[258] -101-Md-256,256.094050(60),,[258] -101-Md-257,257.095535(4),,[258] -101-Md-258,258.098425(5),,[258] -101-Md-259,259.10050(22)#,,[258] -101-Md-260,260.10365(34)#,,[258] -102-No-249,249.08782(37)#,,[259] -102-No-250,250.08749(22)#,,[259] -102-No-251,251.08896(19)#,,[259] -102-No-252,252.088966(14),,[259] -102-No-253,253.09065(26)#,,[259] -102-No-254,254.090949(19),,[259] -102-No-255,255.093232(13),,[259] -102-No-256,256.094276(9),,[259] -102-No-257,257.096850(30),,[259] -102-No-258,258.09820(22)#,,[259] -102-No-259,259.10102(11)#,,[259] -102-No-260,260.10264(22)#,,[259] -102-No-261,261.10574(32)#,,[259] -102-No-262,262.10752(58)#,,[259] -103-Lr-251,251.09436(32)#,,[262] -103-Lr-252,252.09533(32)#,,[262] -103-Lr-253,253.09526(24)#,,[262] -103-Lr-254,254.09659(36)#,,[262] -103-Lr-255,255.09677(22)#,,[262] -103-Lr-256,256.09876(24)#,,[262] -103-Lr-257,257.09961(22)#,,[262] -103-Lr-258,258.10188(11)#,,[262] -103-Lr-259,259.102990(80)#,,[262] -103-Lr-260,260.10557(12)#,,[262] -103-Lr-261,261.10694(22)#,,[262] -103-Lr-262,262.10969(32)#,,[262] -103-Lr-263,263.11139(39)#,,[262] -104-Rf-253,253.10068(49)#,,[261] -104-Rf-254,254.10017(31)#,,[261] -104-Rf-255,255.10149(22)#,,[261] -104-Rf-256,256.101180(29),,[261] -104-Rf-257,257.10307(29)#,,[261] -104-Rf-258,258.10357(22)#,,[261] -104-Rf-259,259.105630(80)#,,[261] -104-Rf-260,260.10643(22)#,,[261] -104-Rf-261,261.10875(11)#,,[261] -104-Rf-262,262.10992(30)#,,[261] -104-Rf-263,263.11254(20)#,,[261] -104-Rf-264,264.11398(48)#,,[261] -105-Db-255,255.10740(45)#,,[262] -105-Db-256,256.10811(39)#,,[262] -105-Db-257,257.10786(25)#,,[262] -105-Db-258,258.10944(37)#,,[262] -105-Db-259,259.10972(31)#,,[262] -105-Db-260,260.11143(25)#,,[262] -105-Db-261,261.11211(25)#,,[262] -105-Db-262,262.11415(20)#,,[262] -105-Db-263,263.11508(18)#,,[262] -105-Db-264,264.11747(25)#,,[262] -105-Db-265,265.11866(30)#,,[262] -106-Sg-258,258.11315(45)#,,[266] -106-Sg-259,259.11465(23)#,,[266] -106-Sg-260,260.114440(40),,[266] -106-Sg-261,261.11620(30)#,,[266] -106-Sg-262,262.11648(30)#,,[266] -106-Sg-263,263.11831(13)#,,[266] -106-Sg-264,264.11892(30)#,,[266] -106-Sg-265,265.12107(15)#,,[266] -106-Sg-266,266.12193(31)#,,[266] -107-Bh-260,260.12180(66)#,,[264] -107-Bh-261,261.12180(26)#,,[264] -107-Bh-262,262.12301(40)#,,[264] -107-Bh-263,263.12315(45)#,,[264] -107-Bh-264,264.12473(30)#,,[264] -107-Bh-265,265.12520(41)#,,[264] -107-Bh-266,266.12701(38)#,,[264] -107-Bh-267,267.12774(37)#,,[264] -108-Hs-263,263.12871(39)#,,[277] -108-Hs-264,264.128410(50),,[277] -108-Hs-265,265.13000(32)#,,[277] -108-Hs-266,266.13004(44)#,,[277] -108-Hs-267,267.13177(11)#,,[277] -108-Hs-268,268.13216(44)#,,[277] -108-Hs-269,269.13411(46)#,,[277] -108-Hs-277,,,[277] -109-Mt-265,265.13657(50)#,,[268] -109-Mt-266,266.13794(38)#,,[268] -109-Mt-267,267.13753(62)#,,[268] -109-Mt-268,268.13882(34)#,,[268] -109-Mt-269,269.13911(59)#,,[268] -109-Mt-270,270.14072(66)#,,[268] -109-Mt-271,271.14123(65)#,,[268] -110-Ds-267,267.14396(41)#,,[281] -110-Ds-268,268.14353(54)#,,[281] -110-Ds-269,269.14514(31)#,,[281] -110-Ds-270,270.14463(70)#,,[281] -110-Ds-271,271.14608(20)#,,[281] -110-Ds-272,272.14631(70)#,,[281] -110-Ds-273,273.14925(47)#,,[281] -110-Ds-281,,,[281] -111-Rg-272,272.15348(36)#,,[272] -112-Cn-285,,,[285] -113-Nh-286,,,[286] -114-Fl-289,,,[289] -115-Mc-289,,,[289] -116-Lv-293,,,[293] -117-Ts-294,,,[294] -118-Og-294,,,[294]\ +isotope_mass = """\ +1-H-1,1.0078250319000(100),99.9885(70),1.00794(7) +1-H-2,2.0141017778400(200),0.0115(70),1.00794(7) +1-H-3,3.0160492813200(800),,1.00794(7) +1-H-4,4.026430(110),,1.00794(7) +1-H-5,5.035310(100),,1.00794(7) +1-H-6,6.044960(270),,1.00794(7) +2-He-3,3.0160293219700(600),0.000137(3),4.002602(2) +2-He-4,4.002603254130(160),99.999863(3),4.002602(2) +2-He-5,5.0120570(210),,4.002602(2) +2-He-6,6.0188858900(600),,4.002602(2) +2-He-7,7.02799100(800),,4.002602(2) +2-He-8,8.033934390(100),,4.002602(2) +2-He-9,9.0439500(500),,4.002602(2) +2-He-10,10.052820(100),,4.002602(2) +3-Li-4,4.027190(230),,6.941(2) +3-Li-5,5.0125400(500),,6.941(2) +3-Li-6,6.01512288740(150),7.59(4),6.941(2) +3-Li-7,7.01600343400(400),92.41(4),6.941(2) +3-Li-8,8.0224862400(500),,6.941(2) +3-Li-9,9.026790190(200),,6.941(2) +3-Li-10,10.0354830(140),,6.941(2) +3-Li-11,11.043723600(700),,6.941(2) +3-Li-12,12.0526100(300),,6.941(2) +4-Be-5,5.03987(215)#,,9.012182(3) +4-Be-6,6.01972600(600),,9.012182(3) +4-Be-7,7.0169287100(800),,9.012182(3) +4-Be-8,8.0053051000(400),,9.012182(3) +4-Be-9,9.0121830600(800),100,9.012182(3) +4-Be-10,10.0135346900(900),,9.012182(3) +4-Be-11,11.021661080(260),,9.012182(3) +4-Be-12,12.02692210(200),,9.012182(3) +4-Be-13,13.0361350(110),,9.012182(3) +4-Be-14,14.042890(140),,9.012182(3) +5-B-7,7.0297120(270),,10.811(7) +5-B-8,8.02460730(110),,10.811(7) +5-B-9,9.01332960(100),,10.811(7) +5-B-10,10.0129368620(160),19.9(7),10.811(7) +5-B-11,11.0093051670(130),80.1(7),10.811(7) +5-B-12,12.01435260(140),,10.811(7) +5-B-13,13.01778000(110),,10.811(7) +5-B-14,14.0254040(230),,10.811(7) +5-B-15,15.0310870(230),,10.811(7) +5-B-16,16.0398410(260),,10.811(7) +5-B-17,17.046930(220),,10.811(7) +5-B-18,18.055600(220),,10.811(7) +5-B-19,19.064170(560),,10.811(7) +6-C-8,8.0376430(200),,12.0107(8) +6-C-9,9.03103720(230),,12.0107(8) +6-C-10,10.0168532200(800),,12.0107(8) +6-C-11,11.0114326000(600),,12.0107(8) +6-C-12,12.0(0),98.93(8),12.0107(8) +6-C-13,13.003354835340(250),1.07(8),12.0107(8) +6-C-14,14.00324198900(400),,12.0107(8) +6-C-15,15.010599300(900),,12.0107(8) +6-C-16,16.01470100(400),,12.0107(8) +6-C-17,17.0225790(190),,12.0107(8) +6-C-18,18.0267500(300),,12.0107(8) +6-C-19,19.034800(110),,12.0107(8) +6-C-20,20.040260(250),,12.0107(8) +6-C-21,21.049000(640)#,,12.0107(8) +6-C-22,22.057550(250),,12.0107(8) +7-N-10,10.041650(430),,14.0067(2) +7-N-11,11.02615800(500),,14.0067(2) +7-N-12,12.01861320(110),,14.0067(2) +7-N-13,13.005738610(290),,14.0067(2) +7-N-14,14.003074004250(240),99.632(7),14.0067(2) +7-N-15,15.000108898300(600),0.368(7),14.0067(2) +7-N-16,16.00610190(250),,14.0067(2) +7-N-17,17.0084490(160),,14.0067(2) +7-N-18,18.0140780(200),,14.0067(2) +7-N-19,19.0170220(180),,14.0067(2) +7-N-20,20.0233700(800),,14.0067(2) +7-N-21,21.027090(140),,14.0067(2) +7-N-22,22.034100(220),,14.0067(2) +7-N-23,23.039420(450),,14.0067(2) +7-N-24,24.050390(430)#,,14.0067(2) +8-O-12,12.0343680(130),,15.9994(3) +8-O-13,13.0248150(100),,15.9994(3) +8-O-14,14.0085967060(270),,15.9994(3) +8-O-15,15.003065600(500),,15.9994(3) +8-O-16,15.994914619300(300),99.757(16),15.9994(3) +8-O-17,16.999131756000(700),0.038(1),15.9994(3) +8-O-18,17.999159612100(700),0.205(14),15.9994(3) +8-O-19,19.00357800(280),,15.9994(3) +8-O-20,20.004075400(900),,15.9994(3) +8-O-21,21.0086550(130),,15.9994(3) +8-O-22,22.0099700(600),,15.9994(3) +8-O-23,23.015700(130),,15.9994(3) +8-O-24,24.019860(180),,15.9994(3) +8-O-25,25.029340(180),,15.9994(3) +8-O-26,26.037210(180),,15.9994(3) +9-F-14,14.0343200(400),,18.9984032(5) +9-F-15,15.0177850(150),,18.9984032(5) +9-F-16,16.01146000(600),,18.9984032(5) +9-F-17,17.002095240(270),,18.9984032(5) +9-F-18,18.000937300(500),,18.9984032(5) +9-F-19,18.998403162100(900),100,18.9984032(5) +9-F-20,19.9999812500(300),,18.9984032(5) +9-F-21,20.99994890(190),,18.9984032(5) +9-F-22,22.0029990(130),,18.9984032(5) +9-F-23,23.0035300(400),,18.9984032(5) +9-F-24,24.008100(100),,18.9984032(5) +9-F-25,25.012170(100),,18.9984032(5) +9-F-26,26.020050(110),,18.9984032(5) +9-F-27,27.026980(130),,18.9984032(5) +9-F-28,28.035860(130),,18.9984032(5) +9-F-29,29.043100(560),,18.9984032(5) +10-Ne-16,16.0257510(220),,20.1797(6) +10-Ne-17,17.017714000(400),,20.1797(6) +10-Ne-18,18.005708700(400),,20.1797(6) +10-Ne-19,19.001880910(170),,20.1797(6) +10-Ne-20,19.99244017530(160),90.48(3),20.1797(6) +10-Ne-21,20.9938466900(400),0.27(1),20.1797(6) +10-Ne-22,21.9913851140(190),9.25(3),20.1797(6) +10-Ne-23,22.994466910(110),,20.1797(6) +10-Ne-24,23.993610600(600),,20.1797(6) +10-Ne-25,24.9978100(300),,20.1797(6) +10-Ne-26,26.0005160(200),,20.1797(6) +10-Ne-27,27.007570(100),,20.1797(6) +10-Ne-28,28.012130(140),,20.1797(6) +10-Ne-29,29.019750(160),,20.1797(6) +10-Ne-30,30.024990(270),,20.1797(6) +10-Ne-31,31.033470(290),,20.1797(6) +10-Ne-32,32.039720(540)#,,20.1797(6) +11-Na-18,18.026880(100),,22.989770(2) +11-Na-19,19.0138800(110),,22.989770(2) +11-Na-20,20.00735430(120),,22.989770(2) +11-Na-21,20.9976544600(500),,22.989770(2) +11-Na-22,21.994437550(140),,22.989770(2) +11-Na-23,22.98976928200(190),100,22.989770(2) +11-Na-24,23.9909630120(180),,22.989770(2) +11-Na-25,24.98995400(130),,22.989770(2) +11-Na-26,25.99263500(400),,22.989770(2) +11-Na-27,26.99407600(400),,22.989770(2) +11-Na-28,27.9989390(110),,22.989770(2) +11-Na-29,29.00287700(800),,22.989770(2) +11-Na-30,30.00909800(500),,22.989770(2) +11-Na-31,31.0131470(150),,22.989770(2) +11-Na-32,32.0200100(400),,22.989770(2) +11-Na-33,33.025530(480),,22.989770(2) +11-Na-34,34.034010(640),,22.989770(2) +11-Na-35,35.040610(720)#,,22.989770(2) +12-Mg-20,20.01876310(200),,24.3050(6) +12-Mg-21,21.011705800(800),,24.3050(6) +12-Mg-22,21.999570600(170),,24.3050(6) +12-Mg-23,22.9941237700(300),,24.3050(6) +12-Mg-24,23.9850416890(140),78.99(4),24.3050(6) +12-Mg-25,24.9858369700(500),10.00(1),24.3050(6) +12-Mg-26,25.9825929700(300),11.01(3),24.3050(6) +12-Mg-27,26.9843406500(500),,24.3050(6) +12-Mg-28,27.983875430(280),,24.3050(6) +12-Mg-29,28.988607200(400),,24.3050(6) +12-Mg-30,29.99046550(140),,24.3050(6) +12-Mg-31,30.99664800(300),,24.3050(6) +12-Mg-32,31.99911000(400),,24.3050(6) +12-Mg-33,33.00532790(290),,24.3050(6) +12-Mg-34,34.00893500(700),,24.3050(6) +12-Mg-35,35.016790(290),,24.3050(6) +12-Mg-36,36.021880(740),,24.3050(6) +12-Mg-37,37.030290(750),,24.3050(6) +13-Al-21,21.029080(640)#,,26.981538(2) +13-Al-22,22.019540(430)#,,26.981538(2) +13-Al-23,23.007244400(400),,26.981538(2) +13-Al-24,23.999947600(240),,26.981538(2) +13-Al-25,24.9904283100(700),,26.981538(2) +13-Al-26,25.9868918800(700),,26.981538(2) +13-Al-27,26.9815384100(500),100,26.981538(2) +13-Al-28,27.9819100100(500),,26.981538(2) +13-Al-29,28.980453200(400),,26.981538(2) +13-Al-30,29.98296920(210),,26.981538(2) +13-Al-31,30.98394980(240),,26.981538(2) +13-Al-32,31.98808400(800),,26.981538(2) +13-Al-33,32.99087800(800),,26.981538(2) +13-Al-34,33.99678190(230),,26.981538(2) +13-Al-35,34.99976000(800),,26.981538(2) +13-Al-36,36.006390(160),,26.981538(2) +13-Al-37,37.010530(190),,26.981538(2) +13-Al-38,38.017680(160)#,,26.981538(2) +13-Al-39,39.023070(320)#,,26.981538(2) +14-Si-22,22.036110(540)#,,28.0855(3) +14-Si-23,23.025710(540)#,,28.0855(3) +14-Si-24,24.0115350(210),,28.0855(3) +14-Si-25,25.0041090(110),,28.0855(3) +14-Si-26,25.992333820(120),,28.0855(3) +14-Si-27,26.986704690(120),,28.0855(3) +14-Si-28,27.976926534400(600),92.2297(7),28.0855(3) +14-Si-29,28.976494664300(600),4.6832(5),28.0855(3) +14-Si-30,29.9737701370(230),3.0872(5),28.0855(3) +14-Si-31,30.9753632000(500),,28.0855(3) +14-Si-32,31.974151500(300),,28.0855(3) +14-Si-33,32.977977000(800),,28.0855(3) +14-Si-34,33.978538000(900),,28.0855(3) +14-Si-35,34.9845500(400),,28.0855(3) +14-Si-36,35.9866500(800),,28.0855(3) +14-Si-37,36.992950(120),,28.0855(3) +14-Si-38,37.995520(110),,28.0855(3) +14-Si-39,39.002490(150),,28.0855(3) +14-Si-40,40.006080(130),,28.0855(3) +14-Si-41,41.014170(320)#,,28.0855(3) +14-Si-42,42.018080(320)#,,28.0855(3) +15-P-24,24.036520(540)#,,30.973761(2) +15-P-25,25.021680(430)#,,30.973761(2) +15-P-26,26.011780(210)#,,30.973761(2) +15-P-27,26.9992920(100),,30.973761(2) +15-P-28,27.99232650(120),,30.973761(2) +15-P-29,28.981800400(400),,30.973761(2) +15-P-30,29.9783134900(700),,30.973761(2) +15-P-31,30.973761997700(800),100,30.973761(2) +15-P-32,31.9739076400(400),,30.973761(2) +15-P-33,32.97172570(120),,30.973761(2) +15-P-34,33.973645900(900),,30.973761(2) +15-P-35,34.97331400(200),,30.973761(2) +15-P-36,35.9782600(140),,30.973761(2) +15-P-37,36.9796100(400),,30.973761(2) +15-P-38,37.9843000(800),,30.973761(2) +15-P-39,38.986290(120),,30.973761(2) +15-P-40,39.9912600(900),,30.973761(2) +15-P-41,40.994650(130),,30.973761(2) +15-P-42,42.001170(100),,30.973761(2) +15-P-43,43.005410(320)#,,30.973761(2) +15-P-44,44.011930(430)#,,30.973761(2) +15-P-45,45.017130(540)#,,30.973761(2) +15-P-46,46.024520(540)#,,30.973761(2) +16-S-26,26.029720(640)#,,32.065(5) +16-S-27,27.018780(430)#,,32.065(5) +16-S-28,28.004370(170),,32.065(5) +16-S-29,28.9966780(140),,32.065(5) +16-S-30,29.984906770(220),,32.065(5) +16-S-31,30.979557000(250),,32.065(5) +16-S-32,31.97207117350(140),94.93(31),32.065(5) +16-S-33,32.97145890860(140),0.76(2),32.065(5) +16-S-34,33.9678670100(500),4.29(28),32.065(5) +16-S-35,34.9690323200(400),,32.065(5) +16-S-36,35.967080690(200),0.02(1),32.065(5) +16-S-37,36.971125500(210),,32.065(5) +16-S-38,37.97116300(800),,32.065(5) +16-S-39,38.9751300(500),,32.065(5) +16-S-40,39.97548300(400),,32.065(5) +16-S-41,40.97959300(400),,32.065(5) +16-S-42,41.98106500(300),,32.065(5) +16-S-43,42.98690800(500),,32.065(5) +16-S-44,43.99011900(600),,32.065(5) +16-S-45,44.996410(320)#,,32.065(5) +16-S-46,46.000690(430)#,,32.065(5) +16-S-47,47.007730(430)#,,32.065(5) +16-S-48,48.013300(540)#,,32.065(5) +16-S-49,49.021890(630)#,,32.065(5) +17-Cl-28,28.030350(540)#,,35.453(2) +17-Cl-29,29.015050(200)#,,35.453(2) +17-Cl-30,30.0050180(260),,35.453(2) +17-Cl-31,30.99244800(400),,35.453(2) +17-Cl-32,31.985684600(600),,35.453(2) +17-Cl-33,32.977452000(400),,35.453(2) +17-Cl-34,33.9737624900(500),,35.453(2) +17-Cl-35,34.9688526900(400),75.78(4),35.453(2) +17-Cl-36,35.9683068200(400),,35.453(2) +17-Cl-37,36.9659025700(600),24.22(4),35.453(2) +17-Cl-38,37.968010410(110),,35.453(2) +17-Cl-39,38.96800820(190),,35.453(2) +17-Cl-40,39.9704200(300),,35.453(2) +17-Cl-41,40.9706800(700),,35.453(2) +17-Cl-42,41.9733400(600),,35.453(2) +17-Cl-43,42.9740600(700),,35.453(2) +17-Cl-44,43.9780100(900),,35.453(2) +17-Cl-45,44.980390(150),,35.453(2) +17-Cl-46,45.985250(100),,35.453(2) +17-Cl-47,46.989720(220)#,,35.453(2) +17-Cl-48,47.995410(540)#,,35.453(2) +17-Cl-49,49.000790(430)#,,35.453(2) +17-Cl-50,50.008270(430)#,,35.453(2) +17-Cl-51,51.015340(750)#,,35.453(2) +18-Ar-30,30.023690(190)#,,39.948(1) +18-Ar-31,31.012160(220)#,,39.948(1) +18-Ar-32,31.99763780(190),,39.948(1) +18-Ar-33,32.989925500(400),,39.948(1) +18-Ar-34,33.9802700900(800),,39.948(1) +18-Ar-35,34.975257700(700),,39.948(1) +18-Ar-36,35.9675451060(290),0.3365(30),39.948(1) +18-Ar-37,36.966776300(220),,39.948(1) +18-Ar-38,37.962732100(210),0.0632(5),39.948(1) +18-Ar-39,38.96431300(500),,39.948(1) +18-Ar-40,39.96238312200(230),99.6003(30),39.948(1) +18-Ar-41,40.964500600(400),,39.948(1) +18-Ar-42,41.96304600(600),,39.948(1) +18-Ar-43,42.96563600(600),,39.948(1) +18-Ar-44,43.96492380(170),,39.948(1) +18-Ar-45,44.968039700(600),,39.948(1) +18-Ar-46,45.96803920(250),,39.948(1) +18-Ar-47,46.97276710(130),,39.948(1) +18-Ar-48,47.9760010(180),,39.948(1) +18-Ar-49,48.981690(430)#,,39.948(1) +18-Ar-50,49.985800(540)#,,39.948(1) +18-Ar-51,50.993030(430)#,,39.948(1) +18-Ar-52,51.998520(640)#,,39.948(1) +18-Ar-53,53.007290(750)#,,39.948(1) +19-K-32,32.023610(430)#,,39.0983(1) +19-K-33,33.008100(220)#,,39.0983(1) +19-K-34,33.998690(210)#,,39.0983(1) +19-K-35,34.988005400(600),,39.0983(1) +19-K-36,35.981301900(300),,39.0983(1) +19-K-37,36.973375890(100),,39.0983(1) +19-K-38,37.969081110(210),,39.0983(1) +19-K-39,38.96370648500(500),93.2581(44),39.0983(1) +19-K-40,39.9639981700(600),0.0117(1),39.0983(1) +19-K-41,40.96182525600(400),6.7302(44),39.0983(1) +19-K-42,41.962402310(110),,39.0983(1) +19-K-43,42.960734700(400),,39.0983(1) +19-K-44,43.961587000(500),,39.0983(1) +19-K-45,44.960691500(600),,39.0983(1) +19-K-46,45.961981600(800),,39.0983(1) +19-K-47,46.96166160(150),,39.0983(1) +19-K-48,47.965341200(800),,39.0983(1) +19-K-49,48.968210800(900),,39.0983(1) +19-K-50,49.97238000(800),,39.0983(1) +19-K-51,50.9758290(140),,39.0983(1) +19-K-52,51.9816000(400),,39.0983(1) +19-K-53,52.986800(120),,39.0983(1) +19-K-54,53.994470(430)#,,39.0983(1) +19-K-55,55.000510(540)#,,39.0983(1) +20-Ca-34,34.015990(320)#,,40.078(4) +20-Ca-35,35.005570(220)#,,40.078(4) +20-Ca-36,35.9930700(400),,40.078(4) +20-Ca-37,36.985897800(700),,40.078(4) +20-Ca-38,37.976319220(210),,40.078(4) +20-Ca-39,38.970710800(600),,40.078(4) +20-Ca-40,39.9625908510(220),96.941(156),40.078(4) +20-Ca-41,40.962277910(150),,40.078(4) +20-Ca-42,41.958617780(160),0.647(23),40.078(4) +20-Ca-43,42.958766380(240),0.135(10),40.078(4) +20-Ca-44,43.955481500(300),2.086(110),40.078(4) +20-Ca-45,44.956186300(400),,40.078(4) +20-Ca-46,45.95368770(240),0.004(3),40.078(4) +20-Ca-47,46.95454110(240),,40.078(4) +20-Ca-48,47.9525226540(190),0.187(21),40.078(4) +20-Ca-49,48.955662630(190),,40.078(4) +20-Ca-50,49.95749920(170),,40.078(4) +20-Ca-51,50.960995700(600),,40.078(4) +20-Ca-52,51.963213600(700),,40.078(4) +20-Ca-53,52.9684500(500),,40.078(4) +20-Ca-54,53.9729900(500),,40.078(4) +20-Ca-55,54.979980(170),,40.078(4) +20-Ca-56,55.985500(270),,40.078(4) +20-Ca-57,56.992960(430)#,,40.078(4) +21-Sc-36,36.017340(320)#,,44.955910(8) +21-Sc-37,37.004060(320)#,,44.955910(8) +21-Sc-38,37.995440(220)#,,44.955910(8) +21-Sc-39,38.9847850(260),,44.955910(8) +21-Sc-40,39.97796700(300),,44.955910(8) +21-Sc-41,40.9692511600(800),,44.955910(8) +21-Sc-42,41.965516690(170),,44.955910(8) +21-Sc-43,42.96115040(200),,44.955910(8) +21-Sc-44,43.95940280(190),,44.955910(8) +21-Sc-45,44.955907100(700),100,44.955910(8) +21-Sc-46,45.955167000(700),,44.955910(8) +21-Sc-47,46.95240240(210),,44.955910(8) +21-Sc-48,47.95222300(500),,44.955910(8) +21-Sc-49,48.95001320(240),,44.955910(8) +21-Sc-50,49.95218740(270),,44.955910(8) +21-Sc-51,50.95356880(270),,44.955910(8) +21-Sc-52,51.95649600(300),,44.955910(8) +21-Sc-53,52.9583790(190),,44.955910(8) +21-Sc-54,53.9630290(150),,44.955910(8) +21-Sc-55,54.9668900(700),,44.955910(8) +21-Sc-56,55.972610(280),,44.955910(8) +21-Sc-57,56.977050(190),,44.955910(8) +21-Sc-58,57.983380(200),,44.955910(8) +21-Sc-59,58.988370(270),,44.955910(8) +22-Ti-38,38.012210(320)#,,47.867(1) +22-Ti-39,39.002680(220)#,,47.867(1) +22-Ti-40,39.9903500(700),,47.867(1) +22-Ti-41,40.9831500(300),,47.867(1) +22-Ti-42,41.973049370(290),,47.867(1) +22-Ti-43,42.96852800(600),,47.867(1) +22-Ti-44,43.959689900(800),,47.867(1) +22-Ti-45,44.958120800(900),,47.867(1) +22-Ti-46,45.952626360(100),8.25(3),47.867(1) +22-Ti-47,46.9517574900(900),7.44(2),47.867(1) +22-Ti-48,47.9479406800(800),73.72(3),47.867(1) +22-Ti-49,48.9478643900(800),5.41(2),47.867(1) +22-Ti-50,49.9447856200(900),5.18(2),47.867(1) +22-Ti-51,50.946609500(500),,47.867(1) +22-Ti-52,51.94688350(290),,47.867(1) +22-Ti-53,52.94967100(300),,47.867(1) +22-Ti-54,53.9508920(170),,47.867(1) +22-Ti-55,54.9550900(300),,47.867(1) +22-Ti-56,55.957680(110),,47.867(1) +22-Ti-57,56.963070(220),,47.867(1) +22-Ti-58,57.966810(200),,47.867(1) +22-Ti-59,58.972220(320)#,,47.867(1) +22-Ti-60,59.976280(260),,47.867(1) +22-Ti-61,60.982430(320)#,,47.867(1) +23-V-40,40.013390(320)#,,50.9415(1) +23-V-41,41.000330(220)#,,50.9415(1) +23-V-42,41.991820(210)#,,50.9415(1) +23-V-43,42.9807700(500),,50.9415(1) +23-V-44,43.97444100(800),,50.9415(1) +23-V-45,44.965768500(900),,50.9415(1) +23-V-46,45.960197390(140),,50.9415(1) +23-V-47,46.954903560(120),,50.9415(1) +23-V-48,47.95225090(100),,50.9415(1) +23-V-49,48.948510500(900),,50.9415(1) +23-V-50,49.947156680(100),0.250(4),50.9415(1) +23-V-51,50.943957660(100),99.750(4),50.9415(1) +23-V-52,51.944773640(170),,50.9415(1) +23-V-53,52.94433500(300),,50.9415(1) +23-V-54,53.9464320(120),,50.9415(1) +23-V-55,54.9472620(290),,50.9415(1) +23-V-56,55.950420(190),,50.9415(1) +23-V-57,56.9523000(900),,50.9415(1) +23-V-58,57.956600(100),,50.9415(1) +23-V-59,58.959620(150),,50.9415(1) +23-V-60,59.964480(200),,50.9415(1) +23-V-61,60.967600(250),,50.9415(1) +23-V-62,61.972930(280),,50.9415(1) +23-V-63,62.976660(370),,50.9415(1) +24-Cr-42,42.007580(320)#,,51.9961(6) +24-Cr-43,42.997890(220)#,,51.9961(6) +24-Cr-44,43.9855900(600),,51.9961(6) +24-Cr-45,44.9790500(400),,51.9961(6) +24-Cr-46,45.9683610(120),,51.9961(6) +24-Cr-47,46.96289500(600),,51.9961(6) +24-Cr-48,47.95402900(800),,51.9961(6) +24-Cr-49,48.95133370(240),,51.9961(6) +24-Cr-50,49.946042210(100),4.345(13),51.9961(6) +24-Cr-51,50.944765390(180),,51.9961(6) +24-Cr-52,51.940504710(120),83.789(18),51.9961(6) +24-Cr-53,52.940646300(120),9.501(17),51.9961(6) +24-Cr-54,53.938877360(140),2.365(7),51.9961(6) +24-Cr-55,54.940836640(250),,51.9961(6) +24-Cr-56,55.940649000(600),,51.9961(6) +24-Cr-57,56.94361210(200),,51.9961(6) +24-Cr-58,57.94418500(300),,51.9961(6) +24-Cr-59,58.948345400(700),,51.9961(6) +24-Cr-60,59.94964170(120),,51.9961(6) +24-Cr-61,60.95437810(200),,51.9961(6) +24-Cr-62,61.95614300(400),,51.9961(6) +24-Cr-63,62.9611600(800),,51.9961(6) +24-Cr-64,63.963890(320),,51.9961(6) +24-Cr-65,64.969610(220)#,,51.9961(6) +25-Mn-44,44.008010(320)#,,54.938049(9) +25-Mn-45,44.994650(320)#,,54.938049(9) +25-Mn-46,45.9866700(900),,54.938049(9) +25-Mn-47,46.9757700(300),,54.938049(9) +25-Mn-48,47.96854900(700),,54.938049(9) +25-Mn-49,48.95961340(240),,54.938049(9) +25-Mn-50,49.954238160(120),,54.938049(9) +25-Mn-51,50.948208800(300),,54.938049(9) +25-Mn-52,51.945559090(140),,54.938049(9) +25-Mn-53,52.941287500(400),,54.938049(9) +25-Mn-54,53.94035580(110),,54.938049(9) +25-Mn-55,54.938043040(280),100,54.938049(9) +25-Mn-56,55.938902800(300),,54.938049(9) +25-Mn-57,56.93828590(160),,54.938049(9) +25-Mn-58,57.94006660(290),,54.938049(9) +25-Mn-59,58.94039110(250),,54.938049(9) +25-Mn-60,59.94313660(250),,54.938049(9) +25-Mn-61,60.94445250(250),,54.938049(9) +25-Mn-62,61.94790700(700),,54.938049(9) +25-Mn-63,62.94966500(400),,54.938049(9) +25-Mn-64,63.95384900(400),,54.938049(9) +25-Mn-65,64.95602000(400),,54.938049(9) +25-Mn-66,65.9605470(120),,54.938049(9) +25-Mn-67,66.963950(220)#,,54.938049(9) +26-Fe-45,45.015470(300)#,,55.845(2) +26-Fe-46,46.001300(320)#,,55.845(2) +26-Fe-47,46.992350(540)#,,55.845(2) +26-Fe-48,47.980670(100),,55.845(2) +26-Fe-49,48.9734290(260),,55.845(2) +26-Fe-50,49.96298800(900),,55.845(2) +26-Fe-51,50.95685510(150),,55.845(2) +26-Fe-52,51.948113360(190),,55.845(2) +26-Fe-53,52.94530560(180),,55.845(2) +26-Fe-54,53.939608200(400),5.845(35),55.845(2) +26-Fe-55,54.938291200(300),,55.845(2) +26-Fe-56,55.934935540(290),91.754(36),55.845(2) +26-Fe-57,56.935391950(290),2.119(10),55.845(2) +26-Fe-58,57.933273600(300),0.282(4),55.845(2) +26-Fe-59,58.934873500(400),,55.845(2) +26-Fe-60,59.93407000(400),,55.845(2) +26-Fe-61,60.93674620(280),,55.845(2) +26-Fe-62,61.93679200(300),,55.845(2) +26-Fe-63,62.94027300(500),,55.845(2) +26-Fe-64,63.94098800(500),,55.845(2) +26-Fe-65,64.94501500(500),,55.845(2) +26-Fe-66,65.94625000(400),,55.845(2) +26-Fe-67,66.95093000(400),,55.845(2) +26-Fe-68,67.952880(210)#,,55.845(2) +26-Fe-69,68.957920(220)#,,55.845(2) +27-Co-48,48.001860(540)#,,58.933200(9) +27-Co-49,48.989500(540)#,,58.933200(9) +27-Co-50,49.981120(140),,58.933200(9) +27-Co-51,50.9706500(500),,58.933200(9) +27-Co-52,51.96313000(600),,58.933200(9) +27-Co-53,52.95420330(190),,58.933200(9) +27-Co-54,53.948459100(400),,58.933200(9) +27-Co-55,54.941996400(400),,58.933200(9) +27-Co-56,55.939838000(500),,58.933200(9) +27-Co-57,56.936289800(600),,58.933200(9) +27-Co-58,57.93575130(120),,58.933200(9) +27-Co-59,58.933193500(400),100,58.933200(9) +27-Co-60,59.933815500(400),,58.933200(9) +27-Co-61,60.932476000(900),,58.933200(9) +27-Co-62,61.9340580(200),,58.933200(9) +27-Co-63,62.9336000(200),,58.933200(9) +27-Co-64,63.9358100(210),,58.933200(9) +27-Co-65,64.93646210(220),,58.933200(9) +27-Co-66,65.9394430(150),,58.933200(9) +27-Co-67,66.94061000(700),,58.933200(9) +27-Co-68,67.94455900(400),,58.933200(9) +27-Co-69,68.9459100(900),,58.933200(9) +27-Co-70,69.9500530(120),,58.933200(9) +27-Co-71,70.952370(500),,58.933200(9) +27-Co-72,71.956740(320)#,,58.933200(9) +28-Ni-50,49.996290(540)#,,58.6934(2) +28-Ni-51,50.987490(540)#,,58.6934(2) +28-Ni-52,51.9757800(900),,58.6934(2) +28-Ni-53,52.9681900(270),,58.6934(2) +28-Ni-54,53.95783300(500),,58.6934(2) +28-Ni-55,54.951329800(800),,58.6934(2) +28-Ni-56,55.942127800(400),,58.6934(2) +28-Ni-57,56.939791400(600),,58.6934(2) +28-Ni-58,57.935341700(400),68.0769(89),58.6934(2) +28-Ni-59,58.934345400(400),,58.6934(2) +28-Ni-60,59.930785100(400),26.2231(77),58.6934(2) +28-Ni-61,60.931054800(400),1.1399(6),58.6934(2) +28-Ni-62,61.928344800(500),3.6345(17),58.6934(2) +28-Ni-63,62.929669000(500),,58.6934(2) +28-Ni-64,63.927966200(500),0.9256(9),58.6934(2) +28-Ni-65,64.930084600(500),,58.6934(2) +28-Ni-66,65.92913930(150),,58.6934(2) +28-Ni-67,66.93156900(300),,58.6934(2) +28-Ni-68,67.93186900(300),,58.6934(2) +28-Ni-69,68.93561000(400),,58.6934(2) +28-Ni-70,69.93643130(230),,58.6934(2) +28-Ni-71,70.94051900(240),,58.6934(2) +28-Ni-72,71.94178590(240),,58.6934(2) +28-Ni-73,72.94620670(260),,58.6934(2) +28-Ni-74,73.947720(220)#,,58.6934(2) +28-Ni-75,74.952510(220)#,,58.6934(2) +28-Ni-76,75.954710(320)#,,58.6934(2) +28-Ni-77,76.959900(430)#,,58.6934(2) +28-Ni-78,77.962560(430)#,,58.6934(2) +29-Cu-52,51.997980(640)#,,63.546(3) +29-Cu-53,52.985890(540)#,,63.546(3) +29-Cu-54,53.977200(430)#,,63.546(3) +29-Cu-55,54.966040(170),,63.546(3) +29-Cu-56,55.95852900(700),,63.546(3) +29-Cu-57,56.949211700(500),,63.546(3) +29-Cu-58,57.944532300(600),,63.546(3) +29-Cu-59,58.939496700(600),,63.546(3) +29-Cu-60,59.93736380(170),,63.546(3) +29-Cu-61,60.93345740(100),,63.546(3) +29-Cu-62,61.932594800(700),,63.546(3) +29-Cu-63,62.929597100(500),69.17(3),63.546(3) +29-Cu-64,63.929764000(500),,63.546(3) +29-Cu-65,64.927789500(700),30.83(3),63.546(3) +29-Cu-66,65.928868800(700),,63.546(3) +29-Cu-67,66.92772950(100),,63.546(3) +29-Cu-68,67.92961090(170),,63.546(3) +29-Cu-69,68.92942930(150),,63.546(3) +29-Cu-70,69.93239210(120),,63.546(3) +29-Cu-71,70.93267680(160),,63.546(3) +29-Cu-72,71.93582030(150),,63.546(3) +29-Cu-73,72.93667440(210),,63.546(3) +29-Cu-74,73.93987500(700),,63.546(3) +29-Cu-75,74.941523800(800),,63.546(3) +29-Cu-76,75.94526900(100),,63.546(3) +29-Cu-77,76.94754360(130),,63.546(3) +29-Cu-78,77.9519170(140),,63.546(3) +29-Cu-79,78.954470(110),,63.546(3) +29-Cu-80,79.960620(320)#,,63.546(3) +30-Zn-54,53.993880(230)#,,65.409(4) +30-Zn-55,54.984680(430)#,,65.409(4) +30-Zn-56,55.972740(430)#,,65.409(4) +30-Zn-57,56.965060(220)#,,65.409(4) +30-Zn-58,57.9545900(500),,65.409(4) +30-Zn-59,58.949311900(800),,65.409(4) +30-Zn-60,59.941841300(600),,65.409(4) +30-Zn-61,60.9395070(170),,65.409(4) +30-Zn-62,61.934333400(700),,65.409(4) +30-Zn-63,62.93321110(170),,65.409(4) +30-Zn-64,63.929141800(700),48.63(60),65.409(4) +30-Zn-65,64.929240500(700),,65.409(4) +30-Zn-66,65.926033600(800),27.90(27),65.409(4) +30-Zn-67,66.927127400(800),4.10(13),65.409(4) +30-Zn-68,67.924844200(800),18.75(51),65.409(4) +30-Zn-69,68.926550400(900),,65.409(4) +30-Zn-70,69.92531920(210),0.62(3),65.409(4) +30-Zn-71,70.92771960(280),,65.409(4) +30-Zn-72,71.92684280(230),,65.409(4) +30-Zn-73,72.92958260(200),,65.409(4) +30-Zn-74,73.92940730(270),,65.409(4) +30-Zn-75,74.93284020(210),,65.409(4) +30-Zn-76,75.93311500(160),,65.409(4) +30-Zn-77,76.93688720(210),,65.409(4) +30-Zn-78,77.93828920(210),,65.409(4) +30-Zn-79,78.94263810(240),,65.409(4) +30-Zn-80,79.94455290(280),,65.409(4) +30-Zn-81,80.95040300(500),,65.409(4) +30-Zn-82,81.95457400(300),,65.409(4) +31-Ga-56,55.995880(540)#,,69.723(1) +31-Ga-57,56.983460(430)#,,69.723(1) +31-Ga-58,57.974730(320)#,,69.723(1) +31-Ga-59,58.963760(180)#,,69.723(1) +31-Ga-60,59.957500(220)#,,69.723(1) +31-Ga-61,60.9494000(400),,69.723(1) +31-Ga-62,61.944189600(700),,69.723(1) +31-Ga-63,62.93929420(140),,69.723(1) +31-Ga-64,63.93684040(150),,69.723(1) +31-Ga-65,64.932734400(800),,69.723(1) +31-Ga-66,65.93158980(120),,69.723(1) +31-Ga-67,66.92820230(130),,69.723(1) +31-Ga-68,67.92798020(150),,69.723(1) +31-Ga-69,68.92557350(130),60.108(9),69.723(1) +31-Ga-70,69.92602190(130),,69.723(1) +31-Ga-71,70.924702600(900),39.892(9),69.723(1) +31-Ga-72,71.926367500(900),,69.723(1) +31-Ga-73,72.92517470(180),,69.723(1) +31-Ga-74,73.92694600(300),,69.723(1) +31-Ga-75,74.926504500(700),,69.723(1) +31-Ga-76,75.92882760(210),,69.723(1) +31-Ga-77,76.92915430(260),,69.723(1) +31-Ga-78,77.93161090(110),,69.723(1) +31-Ga-79,78.93285160(130),,69.723(1) +31-Ga-80,79.93642100(300),,69.723(1) +31-Ga-81,80.93813400(400),,69.723(1) +31-Ga-82,81.94317650(260),,69.723(1) +31-Ga-83,82.94712030(280),,69.723(1) +31-Ga-84,83.9526600(300),,69.723(1) +32-Ge-58,57.991860(540)#,,72.64(1) +32-Ge-59,58.982430(430)#,,72.64(1) +32-Ge-60,59.970450(320)#,,72.64(1) +32-Ge-61,60.963730(320)#,,72.64(1) +32-Ge-62,61.954760(150)#,,72.64(1) +32-Ge-63,62.9496300(400),,72.64(1) +32-Ge-64,63.94169000(400),,72.64(1) +32-Ge-65,64.93936810(230),,72.64(1) +32-Ge-66,65.93386210(260),,72.64(1) +32-Ge-67,66.93271700(500),,72.64(1) +32-Ge-68,67.92809530(200),,72.64(1) +32-Ge-69,68.92796450(140),,72.64(1) +32-Ge-70,69.924248500(900),20.84(87),72.64(1) +32-Ge-71,70.924952100(900),,72.64(1) +32-Ge-72,71.9220758200(800),27.54(34),72.64(1) +32-Ge-73,72.9234589500(600),7.73(5),72.64(1) +32-Ge-74,73.9211777610(130),36.28(73),72.64(1) +32-Ge-75,74.9228583700(600),,72.64(1) +32-Ge-76,75.9214027250(190),7.61(38),72.64(1) +32-Ge-77,76.9235498400(600),,72.64(1) +32-Ge-78,77.92285300(400),,72.64(1) +32-Ge-79,78.9253600(400),,72.64(1) +32-Ge-80,79.92535080(220),,72.64(1) +32-Ge-81,80.92883290(220),,72.64(1) +32-Ge-82,81.92977400(240),,72.64(1) +32-Ge-83,82.93453910(260),,72.64(1) +32-Ge-84,83.93757500(300),,72.64(1) +32-Ge-85,84.94297000(400),,72.64(1) +32-Ge-86,85.946970(470),,72.64(1) +33-As-60,59.993950(430)#,,74.92160(2) +33-As-61,60.981540(320)#,,74.92160(2) +33-As-62,61.973780(320)#,,74.92160(2) +33-As-63,62.964040(220)#,,74.92160(2) +33-As-64,63.957560(220)#,,74.92160(2) +33-As-65,64.9496100(900),,74.92160(2) +33-As-66,65.94414900(600),,74.92160(2) +33-As-67,66.939251100(500),,74.92160(2) +33-As-68,67.93677410(200),,74.92160(2) +33-As-69,68.9322500(300),,74.92160(2) +33-As-70,69.93093460(150),,74.92160(2) +33-As-71,70.92711400(400),,74.92160(2) +33-As-72,71.92675200(400),,74.92160(2) +33-As-73,72.92382900(400),,74.92160(2) +33-As-74,73.92392860(180),,74.92160(2) +33-As-75,74.921594600(900),100,74.92160(2) +33-As-76,75.92239200(100),,74.92160(2) +33-As-77,76.92064760(180),,74.92160(2) +33-As-78,77.9218280(100),,74.92160(2) +33-As-79,78.92094800(600),,74.92160(2) +33-As-80,79.92247400(400),,74.92160(2) +33-As-81,80.92213230(280),,74.92160(2) +33-As-82,81.92473900(400),,74.92160(2) +33-As-83,82.92520700(300),,74.92160(2) +33-As-84,83.92930300(300),,74.92160(2) +33-As-85,84.93216400(300),,74.92160(2) +33-As-86,85.93670200(400),,74.92160(2) +33-As-87,86.94029200(300),,74.92160(2) +33-As-88,87.945840(220)#,,74.92160(2) +33-As-89,88.950050(320)#,,74.92160(2) +34-Se-65,64.964550(320)#,,78.96(3) +34-Se-66,65.955280(220)#,,78.96(3) +34-Se-67,66.9499900(700),,78.96(3) +34-Se-68,67.941825200(500),,78.96(3) +34-Se-69,68.93941480(160),,78.96(3) +34-Se-70,69.93351550(170),,78.96(3) +34-Se-71,70.93220900(300),,78.96(3) +34-Se-72,71.92714050(210),,78.96(3) +34-Se-73,72.92675500(800),,78.96(3) +34-Se-74,73.9224759340(160),0.89(4),78.96(3) +34-Se-75,74.9225228700(800),,78.96(3) +34-Se-76,75.9192137030(170),9.37(29),78.96(3) +34-Se-77,76.9199141500(700),7.63(16),78.96(3) +34-Se-78,77.917309240(190),23.77(28),78.96(3) +34-Se-79,78.918499250(240),,78.96(3) +34-Se-80,79.91652180(100),49.61(41),78.96(3) +34-Se-81,80.91799300(100),,78.96(3) +34-Se-82,81.916699500(500),8.73(22),78.96(3) +34-Se-83,82.91911900(300),,78.96(3) +34-Se-84,83.91846680(210),,78.96(3) +34-Se-85,84.92226080(280),,78.96(3) +34-Se-86,85.92431170(270),,78.96(3) +34-Se-87,86.92868860(240),,78.96(3) +34-Se-88,87.93141700(400),,78.96(3) +34-Se-89,88.93666900(400),,78.96(3) +34-Se-90,89.940100(350),,78.96(3) +34-Se-91,90.945700(470),,78.96(3) +34-Se-92,91.949840(430)#,,78.96(3) +35-Br-67,66.965080(320)#,,79.904(1) +35-Br-68,67.958360(280)#,,79.904(1) +35-Br-69,68.9503400(500),,79.904(1) +35-Br-70,69.9447920(160),,79.904(1) +35-Br-71,70.93934200(600),,79.904(1) +35-Br-72,71.93659460(110),,79.904(1) +35-Br-73,72.93167300(700),,79.904(1) +35-Br-74,73.92991000(600),,79.904(1) +35-Br-75,74.92581100(500),,79.904(1) +35-Br-76,75.9245420(100),,79.904(1) +35-Br-77,76.92137900(300),,79.904(1) +35-Br-78,77.92114600(400),,79.904(1) +35-Br-79,78.91833760(110),50.69(7),79.904(1) +35-Br-80,79.91852980(110),,79.904(1) +35-Br-81,80.91628820(100),49.31(7),79.904(1) +35-Br-82,81.91680180(100),,79.904(1) +35-Br-83,82.91517500(400),,79.904(1) +35-Br-84,83.9164960(280),,79.904(1) +35-Br-85,84.91564600(300),,79.904(1) +35-Br-86,85.91880500(300),,79.904(1) +35-Br-87,86.92067400(300),,79.904(1) +35-Br-88,87.92408300(300),,79.904(1) +35-Br-89,88.92670500(400),,79.904(1) +35-Br-90,89.93129300(400),,79.904(1) +35-Br-91,90.93439900(400),,79.904(1) +35-Br-92,91.93963200(700),,79.904(1) +35-Br-93,92.943220(460),,79.904(1) +35-Br-94,93.948850(220)#,,79.904(1) +36-Kr-69,68.965500(320)#,,83.798(2) +36-Kr-70,69.955880(220)#,,83.798(2) +36-Kr-71,70.950270(140),,83.798(2) +36-Kr-72,71.94209200(900),,83.798(2) +36-Kr-73,72.93928900(700),,83.798(2) +36-Kr-74,73.93308400(220),,83.798(2) +36-Kr-75,74.93094600(900),,83.798(2) +36-Kr-76,75.92591100(400),,83.798(2) +36-Kr-77,76.92467000(210),,83.798(2) +36-Kr-78,77.920366300(300),0.35(1),83.798(2) +36-Kr-79,78.92008300(400),,83.798(2) +36-Kr-80,79.916377900(700),2.28(6),83.798(2) +36-Kr-81,80.91658970(120),,83.798(2) +36-Kr-82,81.91348115400(600),11.58(14),83.798(2) +36-Kr-83,82.9141265170(100),11.49(6),83.798(2) +36-Kr-84,83.91149772700(400),57.00(4),83.798(2) +36-Kr-85,84.91252730(210),,83.798(2) +36-Kr-86,85.91061062500(400),17.30(22),83.798(2) +36-Kr-87,86.913354760(260),,83.798(2) +36-Kr-88,87.91444790(280),,83.798(2) +36-Kr-89,88.91783540(230),,83.798(2) +36-Kr-90,89.91952790(200),,83.798(2) +36-Kr-91,90.92380630(240),,83.798(2) +36-Kr-92,91.92617310(290),,83.798(2) +36-Kr-93,92.93114720(270),,83.798(2) +36-Kr-94,93.9341400(130),,83.798(2) +36-Kr-95,94.9397110(200),,83.798(2) +36-Kr-96,95.9430140(210),,83.798(2) +36-Kr-97,96.949090(140),,83.798(2) +37-Rb-71,70.965340(430)#,,85.4678(3) +37-Rb-72,71.958850(540)#,,85.4678(3) +37-Rb-73,72.9506000(400),,85.4678(3) +37-Rb-74,73.94426600(300),,85.4678(3) +37-Rb-75,74.93857320(130),,85.4678(3) +37-Rb-76,75.93507300(100),,85.4678(3) +37-Rb-77,76.93040160(140),,85.4678(3) +37-Rb-78,77.92814200(300),,85.4678(3) +37-Rb-79,78.92399010(210),,85.4678(3) +37-Rb-80,79.92251640(200),,85.4678(3) +37-Rb-81,80.91899400(500),,85.4678(3) +37-Rb-82,81.91820900(300),,85.4678(3) +37-Rb-83,82.91511420(250),,85.4678(3) +37-Rb-84,83.91437520(240),,85.4678(3) +37-Rb-85,84.91178973600(500),72.17(2),85.4678(3) +37-Rb-86,85.911167440(210),,85.4678(3) +37-Rb-87,86.90918052900(600),27.83(2),85.4678(3) +37-Rb-88,87.911315590(170),,85.4678(3) +37-Rb-89,88.91227800(600),,85.4678(3) +37-Rb-90,89.91479800(700),,85.4678(3) +37-Rb-91,90.91653700(800),,85.4678(3) +37-Rb-92,91.91972800(700),,85.4678(3) +37-Rb-93,92.92203900(800),,85.4678(3) +37-Rb-94,93.92639480(220),,85.4678(3) +37-Rb-95,94.9292640(220),,85.4678(3) +37-Rb-96,95.93413300(400),,85.4678(3) +37-Rb-97,96.93717710(210),,85.4678(3) +37-Rb-98,97.9416320(170),,85.4678(3) +37-Rb-99,98.94511900(400),,85.4678(3) +37-Rb-100,99.9503320(140),,85.4678(3) +37-Rb-101,100.9543020(220),,85.4678(3) +37-Rb-102,101.9600100(900),,85.4678(3) +38-Sr-73,72.965700(430)#,,87.62(1) +38-Sr-74,73.956170(110)#,,87.62(1) +38-Sr-75,74.949950(240),,87.62(1) +38-Sr-76,75.9417600(400),,87.62(1) +38-Sr-77,76.93794500(900),,87.62(1) +38-Sr-78,77.93218000(800),,87.62(1) +38-Sr-79,78.92970500(800),,87.62(1) +38-Sr-80,79.92451800(400),,87.62(1) +38-Sr-81,80.92321100(300),,87.62(1) +38-Sr-82,81.91840000(600),,87.62(1) +38-Sr-83,82.91755400(700),,87.62(1) +38-Sr-84,83.91341910(130),0.56(1),87.62(1) +38-Sr-85,84.91293200(300),,87.62(1) +38-Sr-86,85.90926072500(600),9.86(1),87.62(1) +38-Sr-87,86.90887749500(600),7.00(1),87.62(1) +38-Sr-88,87.90561225400(600),82.58(1),87.62(1) +38-Sr-89,88.907450810(100),,87.62(1) +38-Sr-90,89.90772790(160),,87.62(1) +38-Sr-91,90.91019600(600),,87.62(1) +38-Sr-92,91.91103800(400),,87.62(1) +38-Sr-93,92.91402400(800),,87.62(1) +38-Sr-94,93.91535560(180),,87.62(1) +38-Sr-95,94.91935800(600),,87.62(1) +38-Sr-96,95.92171900(900),,87.62(1) +38-Sr-97,96.92637600(400),,87.62(1) +38-Sr-98,97.92869300(300),,87.62(1) +38-Sr-99,98.93288400(500),,87.62(1) +38-Sr-100,99.93578300(700),,87.62(1) +38-Sr-101,100.94060600(900),,87.62(1) +38-Sr-102,101.9440000(700),,87.62(1) +38-Sr-103,102.949240(220)#,,87.62(1) +38-Sr-104,103.953020(320)#,,87.62(1) +39-Y-77,76.950150(220)#,,88.90585(2) +39-Y-78,77.943990(320)#,,88.90585(2) +39-Y-79,78.9379500(900),,88.90585(2) +39-Y-80,79.93435500(700),,88.90585(2) +39-Y-81,80.92945400(600),,88.90585(2) +39-Y-82,81.92693000(600),,88.90585(2) +39-Y-83,82.9224840(200),,88.90585(2) +39-Y-84,83.92067100(500),,88.90585(2) +39-Y-85,84.9164330(200),,88.90585(2) +39-Y-86,85.9148860(150),,88.90585(2) +39-Y-87,86.91087610(120),,88.90585(2) +39-Y-88,87.90950130(160),,88.90585(2) +39-Y-89,88.905838200(400),100,88.90585(2) +39-Y-90,89.907141700(400),,88.90585(2) +39-Y-91,90.90729800(200),,88.90585(2) +39-Y-92,91.9089460(100),,88.90585(2) +39-Y-93,92.9095780(110),,88.90585(2) +39-Y-94,93.91159200(700),,88.90585(2) +39-Y-95,94.91282000(700),,88.90585(2) +39-Y-96,95.91590900(700),,88.90585(2) +39-Y-97,96.91828700(700),,88.90585(2) +39-Y-98,97.92239500(900),,88.90585(2) +39-Y-99,98.92416100(700),,88.90585(2) +39-Y-100,99.9277280(120),,88.90585(2) +39-Y-101,100.93016100(800),,88.90585(2) +39-Y-102,101.93432800(400),,88.90585(2) +39-Y-103,102.9372440(120),,88.90585(2) +39-Y-104,103.941940(220)#,,88.90585(2) +39-Y-105,104.945710(430)#,,88.90585(2) +39-Y-106,105.950840(540)#,,88.90585(2) +40-Zr-79,78.949790(320)#,,91.224(2) +40-Zr-80,79.941210(320)#,,91.224(2) +40-Zr-81,80.938250(100),,91.224(2) +40-Zr-82,81.93170750(170),,91.224(2) +40-Zr-83,82.92924100(700),,91.224(2) +40-Zr-84,83.92332600(600),,91.224(2) +40-Zr-85,84.92144300(700),,91.224(2) +40-Zr-86,85.91629700(400),,91.224(2) +40-Zr-87,86.91481700(400),,91.224(2) +40-Zr-88,87.91022100(600),,91.224(2) +40-Zr-89,88.90887980(300),,91.224(2) +40-Zr-90,89.904698760(130),51.45(40),91.224(2) +40-Zr-91,90.905640210(100),11.22(5),91.224(2) +40-Zr-92,91.905035340(100),17.15(8),91.224(2) +40-Zr-93,92.906470700(500),,91.224(2) +40-Zr-94,93.906312520(180),17.38(28),91.224(2) +40-Zr-95,94.908040300(900),,91.224(2) +40-Zr-96,95.908277620(120),2.80(9),91.224(2) +40-Zr-97,96.910963800(130),,91.224(2) +40-Zr-98,97.91274000(900),,91.224(2) +40-Zr-99,98.9166750(110),,91.224(2) +40-Zr-100,99.91801000(900),,91.224(2) +40-Zr-101,100.92145800(900),,91.224(2) +40-Zr-102,101.92315400(900),,91.224(2) +40-Zr-103,102.9272040(100),,91.224(2) +40-Zr-104,103.9294490(100),,91.224(2) +40-Zr-105,104.9340220(130),,91.224(2) +40-Zr-106,105.936930(220)#,,91.224(2) +40-Zr-107,106.942010(320)#,,91.224(2) +40-Zr-108,107.945300(430)#,,91.224(2) +41-Nb-81,80.950230(430)#,,92.90638(2) +41-Nb-82,81.944380(320)#,,92.90638(2) +41-Nb-83,82.938150(170),,92.90638(2) +41-Nb-84,83.934305700(400),,92.90638(2) +41-Nb-85,84.92884600(400),,92.90638(2) +41-Nb-86,85.92578200(600),,92.90638(2) +41-Nb-87,86.92069200(700),,92.90638(2) +41-Nb-88,87.9182300(600),,92.90638(2) +41-Nb-89,88.9134450(250),,92.90638(2) +41-Nb-90,89.91125900(400),,92.90638(2) +41-Nb-91,90.90699000(300),,92.90638(2) +41-Nb-92,91.90718860(190),,92.90638(2) +41-Nb-93,92.90637320(160),100,92.90638(2) +41-Nb-94,93.90727900(160),,92.90638(2) +41-Nb-95,94.906831100(500),,92.90638(2) +41-Nb-96,95.908101590(160),,92.90638(2) +41-Nb-97,96.90810200(500),,92.90638(2) +41-Nb-98,97.91033300(500),,92.90638(2) +41-Nb-99,98.9116090(130),,92.90638(2) +41-Nb-100,99.91434100(900),,92.90638(2) +41-Nb-101,100.91530700(400),,92.90638(2) +41-Nb-102,101.91809040(270),,92.90638(2) +41-Nb-103,102.91945300(400),,92.90638(2) +41-Nb-104,103.92290770(190),,92.90638(2) +41-Nb-105,104.92494300(400),,92.90638(2) +41-Nb-106,105.92892850(150),,92.90638(2) +41-Nb-107,106.93159000(900),,92.90638(2) +41-Nb-108,107.93607600(900),,92.90638(2) +41-Nb-109,108.939140(460),,92.90638(2) +41-Nb-110,109.943840(900),,92.90638(2) +42-Mo-83,82.950250(430)#,,95.94(2) +42-Mo-84,83.941850(320)#,,95.94(2) +42-Mo-85,84.9382610(170),,95.94(2) +42-Mo-86,85.93117400(300),,95.94(2) +42-Mo-87,86.92819600(300),,95.94(2) +42-Mo-88,87.92196800(400),,95.94(2) +42-Mo-89,88.91946800(400),,95.94(2) +42-Mo-90,89.91393100(400),,95.94(2) +42-Mo-91,90.91174500(700),,95.94(2) +42-Mo-92,91.906807150(170),14.84(35),95.94(2) +42-Mo-93,92.906808770(190),,95.94(2) +42-Mo-94,93.905083590(150),9.25(12),95.94(2) +42-Mo-95,94.905837440(130),15.92(13),95.94(2) +42-Mo-96,95.904674770(130),16.68(2),95.94(2) +42-Mo-97,96.906016900(180),9.55(8),95.94(2) +42-Mo-98,97.905403610(190),24.13(31),95.94(2) +42-Mo-99,98.907707300(250),,95.94(2) +42-Mo-100,99.907468000(300),9.63(23),95.94(2) +42-Mo-101,100.910337600(300),,95.94(2) +42-Mo-102,101.91029400(900),,95.94(2) +42-Mo-103,102.9130920(100),,95.94(2) +42-Mo-104,103.9137470(100),,95.94(2) +42-Mo-105,104.9169820(100),,95.94(2) +42-Mo-106,105.9182730(100),,95.94(2) +42-Mo-107,106.9221200(100),,95.94(2) +42-Mo-108,107.9240480(100),,95.94(2) +42-Mo-109,108.9284380(120),,95.94(2) +42-Mo-110,109.9307180(260),,95.94(2) +42-Mo-111,110.9356520(140),,95.94(2) +42-Mo-112,111.938290(220)#,,95.94(2) +42-Mo-113,112.943480(320)#,,95.94(2) +43-Tc-85,84.950780(430)#,,[98] +43-Tc-86,85.944640(320)#,,[98] +43-Tc-87,86.93806700(500),,[98] +43-Tc-88,87.93379400(400),,[98] +43-Tc-89,88.92764900(400),,[98] +43-Tc-90,89.92407390(110),,[98] +43-Tc-91,90.91842500(250),,[98] +43-Tc-92,91.91527000(300),,[98] +43-Tc-93,92.91024510(110),,[98] +43-Tc-94,93.90965200(400),,[98] +43-Tc-95,94.90765200(500),,[98] +43-Tc-96,95.90786700(600),,[98] +43-Tc-97,96.90636100(400),,[98] +43-Tc-98,97.90721100(400),,[98] +43-Tc-99,98.90624970(100),,[98] +43-Tc-100,99.90765270(150),,[98] +43-Tc-101,100.9073050(260),,[98] +43-Tc-102,101.9092070(100),,[98] +43-Tc-103,102.9091740(110),,[98] +43-Tc-104,103.9114340(270),,[98] +43-Tc-105,104.9116600(400),,[98] +43-Tc-106,105.9143570(130),,[98] +43-Tc-107,106.91545800(900),,[98] +43-Tc-108,107.91849300(900),,[98] +43-Tc-109,108.9202540(100),,[98] +43-Tc-110,109.9237410(100),,[98] +43-Tc-111,110.9258990(110),,[98] +43-Tc-112,111.92994200(600),,[98] +43-Tc-113,112.93256900(400),,[98] +43-Tc-114,113.937090(470),,[98] +43-Tc-115,114.940100(210)#,,[98] +44-Ru-87,86.950910(430)#,,101.07(2) +44-Ru-88,87.941660(320)#,,101.07(2) +44-Ru-89,88.9373380(260),,101.07(2) +44-Ru-90,89.93034400(400),,101.07(2) +44-Ru-91,90.92674150(240),,101.07(2) +44-Ru-92,91.92023440(290),,101.07(2) +44-Ru-93,92.91710440(220),,101.07(2) +44-Ru-94,93.91134300(300),,101.07(2) +44-Ru-95,94.9104040(100),,101.07(2) +44-Ru-96,95.907588910(180),5.54(14),101.07(2) +44-Ru-97,96.90754580(300),,101.07(2) +44-Ru-98,97.90528700(700),1.87(3),101.07(2) +44-Ru-99,98.905930300(400),12.76(14),101.07(2) +44-Ru-100,99.904210500(400),12.60(7),101.07(2) +44-Ru-101,100.905573100(400),17.06(2),101.07(2) +44-Ru-102,101.904340300(400),31.55(14),101.07(2) +44-Ru-103,102.906314800(500),,101.07(2) +44-Ru-104,103.90542530(270),18.62(27),101.07(2) +44-Ru-105,104.90774550(270),,101.07(2) +44-Ru-106,105.90732800(600),,101.07(2) +44-Ru-107,106.90997000(900),,101.07(2) +44-Ru-108,107.91018600(900),,101.07(2) +44-Ru-109,108.9133240(100),,101.07(2) +44-Ru-110,109.9140390(100),,101.07(2) +44-Ru-111,110.9175680(100),,101.07(2) +44-Ru-112,111.9188070(100),,101.07(2) +44-Ru-113,112.9228500(400),,101.07(2) +44-Ru-114,113.92461400(400),,101.07(2) +44-Ru-115,114.9290330(270),,101.07(2) +44-Ru-116,115.93121900(400),,101.07(2) +44-Ru-117,116.936140(470),,101.07(2) +44-Ru-118,117.938810(220)#,,101.07(2) +45-Rh-89,88.950990(390)#,,102.90550(2) +45-Rh-90,89.944570(220)#,,102.90550(2) +45-Rh-91,90.937120(320)#,,102.90550(2) +45-Rh-92,91.93236800(500),,102.90550(2) +45-Rh-93,92.92591280(280),,102.90550(2) +45-Rh-94,93.92173000(400),,102.90550(2) +45-Rh-95,94.91589800(400),,102.90550(2) +45-Rh-96,95.9144520(110),,102.90550(2) +45-Rh-97,96.9113300(400),,102.90550(2) +45-Rh-98,97.9107080(130),,102.90550(2) +45-Rh-99,98.9081210(210),,102.90550(2) +45-Rh-100,99.9081140(190),,102.90550(2) +45-Rh-101,100.90615900(600),,102.90550(2) +45-Rh-102,101.90683400(700),,102.90550(2) +45-Rh-103,102.90549410(250),100,102.90550(2) +45-Rh-104,103.90664530(250),,102.90550(2) +45-Rh-105,104.90568780(270),,102.90550(2) +45-Rh-106,105.90728600(600),,102.90550(2) +45-Rh-107,106.9067480(130),,102.90550(2) +45-Rh-108,107.9087150(150),,102.90550(2) +45-Rh-109,108.90875000(400),,102.90550(2) +45-Rh-110,109.9110800(190),,102.90550(2) +45-Rh-111,110.91164300(700),,102.90550(2) +45-Rh-112,111.9144100(500),,102.90550(2) +45-Rh-113,112.91544000(800),,102.90550(2) +45-Rh-114,113.9187200(800),,102.90550(2) +45-Rh-115,114.92031200(800),,102.90550(2) +45-Rh-116,115.9240600(800),,102.90550(2) +45-Rh-117,116.9260360(100),,102.90550(2) +45-Rh-118,117.9303410(260),,102.90550(2) +45-Rh-119,118.9325570(100),,102.90550(2) +45-Rh-120,119.937070(220)#,,102.90550(2) +45-Rh-121,120.939610(670),,102.90550(2) +46-Pd-91,90.950440(450)#,,106.42(1) +46-Pd-92,91.941190(370),,106.42(1) +46-Pd-93,92.936680(400),,106.42(1) +46-Pd-94,93.92903600(500),,106.42(1) +46-Pd-95,94.92488900(300),,106.42(1) +46-Pd-96,95.91821400(500),,106.42(1) +46-Pd-97,96.91647200(500),,106.42(1) +46-Pd-98,97.91269800(500),,106.42(1) +46-Pd-99,98.91177300(500),,106.42(1) +46-Pd-100,99.9085200(190),,106.42(1) +46-Pd-101,100.90828500(500),,106.42(1) +46-Pd-102,101.905632300(400),1.02(1),106.42(1) +46-Pd-103,102.906111100(900),,106.42(1) +46-Pd-104,103.90403040(140),11.14(8),106.42(1) +46-Pd-105,104.90507950(120),22.33(8),106.42(1) +46-Pd-106,105.90348030(120),27.33(3),106.42(1) +46-Pd-107,106.90512810(130),,106.42(1) +46-Pd-108,107.90389180(120),26.46(9),106.42(1) +46-Pd-109,108.90595060(120),,106.42(1) +46-Pd-110,109.905172900(700),11.72(9),106.42(1) +46-Pd-111,110.907690400(800),,106.42(1) +46-Pd-112,111.90733100(700),,106.42(1) +46-Pd-113,112.91026200(700),,106.42(1) +46-Pd-114,113.91036900(700),,106.42(1) +46-Pd-115,114.9136590(150),,106.42(1) +46-Pd-116,115.91429800(800),,106.42(1) +46-Pd-117,116.91795600(800),,106.42(1) +46-Pd-118,117.91906730(270),,106.42(1) +46-Pd-119,118.92334100(900),,106.42(1) +46-Pd-120,119.92455170(250),,106.42(1) +46-Pd-121,120.92895000(400),,106.42(1) +46-Pd-122,121.9306320(210),,106.42(1) +46-Pd-123,122.935130(850),,106.42(1) +47-Ag-94,93.943740(430)#,,107.8682(2) +47-Ag-95,94.935690(430)#,,107.8682(2) +47-Ag-96,95.930740(100),,107.8682(2) +47-Ag-97,96.9238810(130),,107.8682(2) +47-Ag-98,97.9215600(400),,107.8682(2) +47-Ag-99,98.91764600(700),,107.8682(2) +47-Ag-100,99.91611500(500),,107.8682(2) +47-Ag-101,100.91268400(500),,107.8682(2) +47-Ag-102,101.91170500(900),,107.8682(2) +47-Ag-103,102.90896100(400),,107.8682(2) +47-Ag-104,103.90862400(500),,107.8682(2) +47-Ag-105,104.90652600(500),,107.8682(2) +47-Ag-106,105.90666300(300),,107.8682(2) +47-Ag-107,106.90509150(260),51.839(8),107.8682(2) +47-Ag-108,107.90595020(260),,107.8682(2) +47-Ag-109,108.90475580(140),48.161(8),107.8682(2) +47-Ag-110,109.90611070(140),,107.8682(2) +47-Ag-111,110.90529680(160),,107.8682(2) +47-Ag-112,111.90704850(260),,107.8682(2) +47-Ag-113,112.9065730(180),,107.8682(2) +47-Ag-114,113.90882300(500),,107.8682(2) +47-Ag-115,114.9087670(200),,107.8682(2) +47-Ag-116,115.91138700(400),,107.8682(2) +47-Ag-117,116.9117740(150),,107.8682(2) +47-Ag-118,117.91459550(270),,107.8682(2) +47-Ag-119,118.9155700(160),,107.8682(2) +47-Ag-120,119.91878500(500),,107.8682(2) +47-Ag-121,120.9201250(130),,107.8682(2) +47-Ag-122,121.9236600(400),,107.8682(2) +47-Ag-123,122.9253200(400),,107.8682(2) +47-Ag-124,123.928900(270),,107.8682(2) +47-Ag-125,124.930740(470),,107.8682(2) +47-Ag-126,125.934810(220)#,,107.8682(2) +47-Ag-127,126.937040(220)#,,107.8682(2) +48-Cd-96,95.940340(440)#,,112.411(8) +48-Cd-97,96.934800(450),,112.411(8) +48-Cd-98,97.9273900(600),,112.411(8) +48-Cd-99,98.92492580(170),,112.411(8) +48-Cd-100,99.92034880(180),,112.411(8) +48-Cd-101,100.91858620(160),,112.411(8) +48-Cd-102,101.91448180(180),,112.411(8) +48-Cd-103,102.91341690(190),,112.411(8) +48-Cd-104,103.90985620(180),,112.411(8) +48-Cd-105,104.90946390(150),,112.411(8) +48-Cd-106,105.90645980(120),1.25(6),112.411(8) +48-Cd-107,106.90661200(180),,112.411(8) +48-Cd-108,107.90418360(120),0.89(3),112.411(8) +48-Cd-109,108.90498670(160),,112.411(8) +48-Cd-110,109.903007500(400),12.49(18),112.411(8) +48-Cd-111,110.904183800(400),12.80(12),112.411(8) +48-Cd-112,111.902763900(270),24.13(21),112.411(8) +48-Cd-113,112.904408110(260),12.22(12),112.411(8) +48-Cd-114,113.903365000(300),28.73(42),112.411(8) +48-Cd-115,114.905437400(700),,112.411(8) +48-Cd-116,115.904763230(170),7.49(18),112.411(8) +48-Cd-117,116.90722600(110),,112.411(8) +48-Cd-118,117.9069220(210),,112.411(8) +48-Cd-119,118.9098500(400),,112.411(8) +48-Cd-120,119.90986800(400),,112.411(8) +48-Cd-121,120.91296370(210),,112.411(8) +48-Cd-122,121.91345910(250),,112.411(8) +48-Cd-123,122.91689250(290),,112.411(8) +48-Cd-124,123.91765980(280),,112.411(8) +48-Cd-125,124.92125800(300),,112.411(8) +48-Cd-126,125.92243030(250),,112.411(8) +48-Cd-127,126.92620300(700),,112.411(8) +48-Cd-128,127.92781700(700),,112.411(8) +48-Cd-129,128.93223600(600),,112.411(8) +48-Cd-130,129.9343880(240),,112.411(8) +49-In-98,97.942130(330)#,,114.818(3) +49-In-99,98.934110(320)#,,114.818(3) +49-In-100,99.93110190(240),,114.818(3) +49-In-101,100.9264140(130),,114.818(3) +49-In-102,101.92410600(500),,114.818(3) +49-In-103,102.9198790(100),,114.818(3) +49-In-104,103.91821500(600),,114.818(3) +49-In-105,104.9145020(110),,114.818(3) +49-In-106,105.9134640(130),,114.818(3) +49-In-107,106.9102870(100),,114.818(3) +49-In-108,107.90969400(900),,114.818(3) +49-In-109,108.90715000(400),,114.818(3) +49-In-110,109.9071710(120),,114.818(3) +49-In-111,110.90510700(400),,114.818(3) +49-In-112,111.90553900(500),,114.818(3) +49-In-113,112.904060450(200),4.29(5),114.818(3) +49-In-114,113.904916400(300),,114.818(3) +49-In-115,114.9038787730(120),95.71(5),114.818(3) +49-In-116,115.905259990(240),,114.818(3) +49-In-117,116.90451600(500),,114.818(3) +49-In-118,117.90635700(800),,114.818(3) +49-In-119,118.90585200(800),,114.818(3) +49-In-120,119.9079700(400),,114.818(3) +49-In-121,120.9078530(290),,114.818(3) +49-In-122,121.9102800(500),,114.818(3) +49-In-123,122.9104350(210),,114.818(3) +49-In-124,123.9131800(300),,114.818(3) +49-In-125,124.91367380(190),,114.818(3) +49-In-126,125.91646800(500),,114.818(3) +49-In-127,126.9174660(110),,114.818(3) +49-In-128,127.92035360(140),,114.818(3) +49-In-129,128.92180850(210),,114.818(3) +49-In-130,129.92495230(190),,114.818(3) +49-In-131,130.92697280(240),,114.818(3) +49-In-132,131.9330000(600),,114.818(3) +49-In-133,132.938070(220)#,,114.818(3) +49-In-134,133.944210(220)#,,114.818(3) +50-Sn-100,99.938650(260),,118.710(7) +50-Sn-101,100.935260(320),,118.710(7) +50-Sn-102,101.930290(110),,118.710(7) +50-Sn-103,102.927970(110)#,,118.710(7) +50-Sn-104,103.92310500(600),,118.710(7) +50-Sn-105,104.92126800(400),,118.710(7) +50-Sn-106,105.91695700(500),,118.710(7) +50-Sn-107,106.91571400(600),,118.710(7) +50-Sn-108,107.91189400(600),,118.710(7) +50-Sn-109,108.91129300(900),,118.710(7) +50-Sn-110,109.9078450(150),,118.710(7) +50-Sn-111,110.90774100(600),,118.710(7) +50-Sn-112,111.904824900(300),0.97(1),118.710(7) +50-Sn-113,112.90517590(170),,118.710(7) +50-Sn-114,113.9027801300(300),0.66(1),118.710(7) +50-Sn-115,114.9033446960(160),0.34(1),118.710(7) +50-Sn-116,115.901742830(100),14.54(9),118.710(7) +50-Sn-117,116.902954000(500),7.68(7),118.710(7) +50-Sn-118,117.901606600(500),24.22(9),118.710(7) +50-Sn-119,118.903311300(800),8.59(4),118.710(7) +50-Sn-120,119.90220260(100),32.58(9),118.710(7) +50-Sn-121,120.90424350(110),,118.710(7) +50-Sn-122,121.90344550(260),4.63(3),118.710(7) +50-Sn-123,122.90572710(270),,118.710(7) +50-Sn-124,123.90527960(140),5.79(5),118.710(7) +50-Sn-125,124.90778940(140),,118.710(7) +50-Sn-126,125.9076590(110),,118.710(7) +50-Sn-127,126.9103920(100),,118.710(7) +50-Sn-128,127.9105080(190),,118.710(7) +50-Sn-129,128.9134820(190),,118.710(7) +50-Sn-130,129.91397450(200),,118.710(7) +50-Sn-131,130.91705300(400),,118.710(7) +50-Sn-132,131.91782390(210),,118.710(7) +50-Sn-133,132.92391380(200),,118.710(7) +50-Sn-134,133.92868000(300),,118.710(7) +50-Sn-135,134.93490900(300),,118.710(7) +50-Sn-136,135.939700(220)#,,118.710(7) +50-Sn-137,136.946160(320)#,,118.710(7) +51-Sb-103,102.939160(320)#,,121.760(1) +51-Sb-104,103.936340(110)#,,121.760(1) +51-Sb-105,104.9312770(230),,121.760(1) +51-Sb-106,105.92863800(800),,121.760(1) +51-Sb-107,106.92415100(400),,121.760(1) +51-Sb-108,107.92222700(600),,121.760(1) +51-Sb-109,108.91814100(600),,121.760(1) +51-Sb-110,109.91685400(600),,121.760(1) +51-Sb-111,110.9132180(100),,121.760(1) +51-Sb-112,111.9124000(190),,121.760(1) +51-Sb-113,112.9093750(180),,121.760(1) +51-Sb-114,113.9092890(210),,121.760(1) +51-Sb-115,114.9065980(170),,121.760(1) +51-Sb-116,115.90679300(600),,121.760(1) +51-Sb-117,116.90484200(900),,121.760(1) +51-Sb-118,117.90553200(300),,121.760(1) +51-Sb-119,118.90394400(800),,121.760(1) +51-Sb-120,119.90508000(800),,121.760(1) +51-Sb-121,120.90381140(270),57.21(5),121.760(1) +51-Sb-122,121.90516930(270),,121.760(1) +51-Sb-123,122.90421530(150),42.79(5),121.760(1) +51-Sb-124,123.90593710(150),,121.760(1) +51-Sb-125,124.90525430(270),,121.760(1) +51-Sb-126,125.9072500(300),,121.760(1) +51-Sb-127,126.90692600(500),,121.760(1) +51-Sb-128,127.9091460(200),,121.760(1) +51-Sb-129,128.9091470(230),,121.760(1) +51-Sb-130,129.9116630(150),,121.760(1) +51-Sb-131,130.91198930(220),,121.760(1) +51-Sb-132,131.91450800(260),,121.760(1) +51-Sb-133,132.91527200(300),,121.760(1) +51-Sb-134,133.92053700(300),,121.760(1) +51-Sb-135,134.92518440(280),,121.760(1) +51-Sb-136,135.93074900(600),,121.760(1) +51-Sb-137,136.9355200(600),,121.760(1) +51-Sb-138,137.941330(320)#,,121.760(1) +51-Sb-139,138.946270(430)#,,121.760(1) +52-Te-106,105.937500(110),,127.60(3) +52-Te-107,106.934880(110)#,,127.60(3) +52-Te-108,107.92938000(600),,127.60(3) +52-Te-109,108.92730500(500),,127.60(3) +52-Te-110,109.92245800(700),,127.60(3) +52-Te-111,110.92100100(700),,127.60(3) +52-Te-112,111.91672800(900),,127.60(3) +52-Te-113,112.9158900(300),,127.60(3) +52-Te-114,113.9120880(260),,127.60(3) +52-Te-115,114.9119000(300),,127.60(3) +52-Te-116,115.9084660(260),,127.60(3) +52-Te-117,116.9086460(140),,127.60(3) +52-Te-118,117.9058600(200),,127.60(3) +52-Te-119,118.90640600(800),,127.60(3) +52-Te-120,119.90406580(190),0.09(1),127.60(3) +52-Te-121,120.9049450(280),,127.60(3) +52-Te-122,121.90304470(150),2.55(12),127.60(3) +52-Te-123,122.90427100(150),0.89(3),127.60(3) +52-Te-124,123.90281830(150),4.74(14),127.60(3) +52-Te-125,124.90443120(150),7.07(15),127.60(3) +52-Te-126,125.90331210(150),18.84(25),127.60(3) +52-Te-127,126.90522700(150),,127.60(3) +52-Te-128,127.904461200(800),31.74(8),127.60(3) +52-Te-129,128.906596400(800),,127.60(3) +52-Te-130,129.9062227450(120),34.08(62),127.60(3) +52-Te-131,130.9085222100(700),,127.60(3) +52-Te-132,131.90854700(400),,127.60(3) +52-Te-133,132.91096330(220),,127.60(3) +52-Te-134,133.91139640(290),,127.60(3) +52-Te-135,134.91655470(180),,127.60(3) +52-Te-136,135.92010120(240),,127.60(3) +52-Te-137,136.92559940(230),,127.60(3) +52-Te-138,137.92947200(400),,127.60(3) +52-Te-139,138.93536700(400),,127.60(3) +52-Te-140,139.9394870(150),,127.60(3) +52-Te-141,140.945600(430)#,,127.60(3) +52-Te-142,141.950030(540)#,,127.60(3) +53-I-108,107.943350(110)#,,126.90447(3) +53-I-109,108.93808600(700),,126.90447(3) +53-I-110,109.9350900(700),,126.90447(3) +53-I-111,110.93026900(500),,126.90447(3) +53-I-112,111.9280050(110),,126.90447(3) +53-I-113,112.92365000(900),,126.90447(3) +53-I-114,113.9220190(220),,126.90447(3) +53-I-115,114.9180500(300),,126.90447(3) +53-I-116,115.9168900(800),,126.90447(3) +53-I-117,116.9136460(270),,126.90447(3) +53-I-118,117.9130740(210),,126.90447(3) +53-I-119,118.9100610(230),,126.90447(3) +53-I-120,119.9100940(160),,126.90447(3) +53-I-121,120.90741100(500),,126.90447(3) +53-I-122,121.90759000(600),,126.90447(3) +53-I-123,122.90559000(400),,126.90447(3) +53-I-124,123.90621030(250),,126.90447(3) +53-I-125,124.90463060(150),,126.90447(3) +53-I-126,125.90562400(400),,126.90447(3) +53-I-127,126.90447300(400),100,126.90447(3) +53-I-128,127.90580900(400),,126.90447(3) +53-I-129,128.90498400(300),,126.90447(3) +53-I-130,129.90667000(300),,126.90447(3) +53-I-131,130.906126400(600),,126.90447(3) +53-I-132,131.90799400(400),,126.90447(3) +53-I-133,132.90782800(600),,126.90447(3) +53-I-134,133.90977600(500),,126.90447(3) +53-I-135,134.91005940(220),,126.90447(3) +53-I-136,135.9146050(150),,126.90447(3) +53-I-137,136.91802800(900),,126.90447(3) +53-I-138,137.92272600(600),,126.90447(3) +53-I-139,138.92649300(400),,126.90447(3) +53-I-140,139.9317160(130),,126.90447(3) +53-I-141,140.9356660(170),,126.90447(3) +53-I-142,141.94116700(500),,126.90447(3) +53-I-143,142.945480(220)#,,126.90447(3) +53-I-144,143.951340(430)#,,126.90447(3) +54-Xe-110,109.944260(110),,131.293(6) +54-Xe-111,110.941470(120)#,,131.293(6) +54-Xe-112,111.93555900(900),,131.293(6) +54-Xe-113,112.93322200(700),,131.293(6) +54-Xe-114,113.9279800(120),,131.293(6) +54-Xe-115,114.9262940(130),,131.293(6) +54-Xe-116,115.9215810(140),,131.293(6) +54-Xe-117,116.9203590(110),,131.293(6) +54-Xe-118,117.9161790(110),,131.293(6) +54-Xe-119,118.9154110(110),,131.293(6) +54-Xe-120,119.9117840(130),,131.293(6) +54-Xe-121,120.9114530(110),,131.293(6) +54-Xe-122,121.9083680(120),,131.293(6) +54-Xe-123,122.9084820(100),,131.293(6) +54-Xe-124,123.90588520(150),0.09(1),131.293(6) +54-Xe-125,124.90638760(150),,131.293(6) +54-Xe-126,125.90429742200(600),0.09(1),131.293(6) +54-Xe-127,126.90518400(400),,131.293(6) +54-Xe-128,127.90353075300(600),1.92(3),131.293(6) +54-Xe-129,128.90478085700(500),26.44(24),131.293(6) +54-Xe-130,129.9035093470(100),4.08(2),131.293(6) +54-Xe-131,130.90508412800(500),21.18(3),131.293(6) +54-Xe-132,131.90415508300(500),26.89(6),131.293(6) +54-Xe-133,132.90591070(260),,131.293(6) +54-Xe-134,133.90539303000(600),10.44(10),131.293(6) +54-Xe-135,134.90723100(400),,131.293(6) +54-Xe-136,135.90721447400(700),8.87(16),131.293(6) +54-Xe-137,136.911557770(110),,131.293(6) +54-Xe-138,137.91414600(300),,131.293(6) +54-Xe-139,138.91879220(230),,131.293(6) +54-Xe-140,139.92164580(250),,131.293(6) +54-Xe-141,140.92678700(300),,131.293(6) +54-Xe-142,141.92997310(290),,131.293(6) +54-Xe-143,142.93537000(500),,131.293(6) +54-Xe-144,143.93894500(600),,131.293(6) +54-Xe-145,144.9447200(120),,131.293(6) +54-Xe-146,145.9485180(260),,131.293(6) +54-Xe-147,146.954480(220)#,,131.293(6) +55-Cs-112,111.950170(120)#,,132.90545(2) +55-Cs-113,112.94442800(900),,132.90545(2) +55-Cs-114,113.9412900(900),,132.90545(2) +55-Cs-115,114.935910(110)#,,132.90545(2) +55-Cs-116,115.933400(110)#,,132.90545(2) +55-Cs-117,116.9286200(700),,132.90545(2) +55-Cs-118,117.9265600(140),,132.90545(2) +55-Cs-119,118.9223770(150),,132.90545(2) +55-Cs-120,119.9206770(110),,132.90545(2) +55-Cs-121,120.9172270(150),,132.90545(2) +55-Cs-122,121.9161100(400),,132.90545(2) +55-Cs-123,122.9129960(130),,132.90545(2) +55-Cs-124,123.9122470(100),,132.90545(2) +55-Cs-125,124.90972600(800),,132.90545(2) +55-Cs-126,125.9094460(110),,132.90545(2) +55-Cs-127,126.90741800(600),,132.90545(2) +55-Cs-128,127.90774800(600),,132.90545(2) +55-Cs-129,128.90606600(500),,132.90545(2) +55-Cs-130,129.90670900(900),,132.90545(2) +55-Cs-131,130.905468460(190),,132.90545(2) +55-Cs-132,131.90643770(110),,132.90545(2) +55-Cs-133,132.90545195900(900),100,132.90545(2) +55-Cs-134,133.9067185020(180),,132.90545(2) +55-Cs-135,134.905976900(400),,132.90545(2) +55-Cs-136,135.90731140(200),,132.90545(2) +55-Cs-137,136.907089300(300),,132.90545(2) +55-Cs-138,137.9110170(100),,132.90545(2) +55-Cs-139,138.91336400(300),,132.90545(2) +55-Cs-140,139.91728400(900),,132.90545(2) +55-Cs-141,140.9200450(100),,132.90545(2) +55-Cs-142,141.92430000(800),,132.90545(2) +55-Cs-143,142.92734700(800),,132.90545(2) +55-Cs-144,143.9320750(220),,132.90545(2) +55-Cs-145,144.9355290(100),,132.90545(2) +55-Cs-146,145.94062200(300),,132.90545(2) +55-Cs-147,146.94426200(900),,132.90545(2) +55-Cs-148,147.9496390(140),,132.90545(2) +55-Cs-149,148.953520(430)#,,132.90545(2) +55-Cs-150,149.959020(430)#,,132.90545(2) +55-Cs-151,150.963200(540)#,,132.90545(2) +56-Ba-114,113.950720(110),,137.327(7) +56-Ba-115,114.947480(220)#,,137.327(7) +56-Ba-116,115.941620(220)#,,137.327(7) +56-Ba-117,116.938320(270),,137.327(7) +56-Ba-118,117.933230(220)#,,137.327(7) +56-Ba-119,118.930660(210),,137.327(7) +56-Ba-120,119.926040(320),,137.327(7) +56-Ba-121,120.924050(150),,137.327(7) +56-Ba-122,121.9199000(300),,137.327(7) +56-Ba-123,122.9187810(130),,137.327(7) +56-Ba-124,123.9150940(130),,137.327(7) +56-Ba-125,124.9144720(120),,137.327(7) +56-Ba-126,125.9112500(130),,137.327(7) +56-Ba-127,126.9110910(120),,137.327(7) +56-Ba-128,127.90835240(170),,137.327(7) +56-Ba-129,128.9086830(110),,137.327(7) +56-Ba-130,129.906326000(300),0.106(1),137.327(7) +56-Ba-131,130.906946300(400),,137.327(7) +56-Ba-132,131.90506120(110),0.101(1),137.327(7) +56-Ba-133,132.90600740(110),,137.327(7) +56-Ba-134,133.904508250(270),2.417(18),137.327(7) +56-Ba-135,134.905688450(260),6.592(12),137.327(7) +56-Ba-136,135.904575800(260),7.854(24),137.327(7) +56-Ba-137,136.905827210(270),11.232(24),137.327(7) +56-Ba-138,137.905247060(270),71.698(42),137.327(7) +56-Ba-139,138.908841160(270),,137.327(7) +56-Ba-140,139.91060800(800),,137.327(7) +56-Ba-141,140.91440400(600),,137.327(7) +56-Ba-142,141.91643300(600),,137.327(7) +56-Ba-143,142.92062500(700),,137.327(7) +56-Ba-144,143.92295500(800),,137.327(7) +56-Ba-145,144.92751800(900),,137.327(7) +56-Ba-146,145.93036320(190),,137.327(7) +56-Ba-147,146.9353040(210),,137.327(7) +56-Ba-148,147.93822300(160),,137.327(7) +56-Ba-149,148.94328400(270),,137.327(7) +56-Ba-150,149.94644100(600),,137.327(7) +56-Ba-151,150.951760(430)#,,137.327(7) +56-Ba-152,151.955330(430)#,,137.327(7) +56-Ba-153,152.960850(430)#,,137.327(7) +57-La-117,116.950330(220)#,,138.9055(2) +57-La-118,117.946730(320)#,,138.9055(2) +57-La-119,118.940930(320)#,,138.9055(2) +57-La-120,119.938200(320)#,,138.9055(2) +57-La-121,120.933240(320)#,,138.9055(2) +57-La-122,121.930710(320)#,,138.9055(2) +57-La-123,122.926300(210)#,,138.9055(2) +57-La-124,123.9245700(600),,138.9055(2) +57-La-125,124.9208160(280),,138.9055(2) +57-La-126,125.919510(100),,138.9055(2) +57-La-127,126.9163750(280),,138.9055(2) +57-La-128,127.9155900(600),,138.9055(2) +57-La-129,128.9126960(230),,138.9055(2) +57-La-130,129.9123690(280),,138.9055(2) +57-La-131,130.9100700(300),,138.9055(2) +57-La-132,131.9101200(400),,138.9055(2) +57-La-133,132.9082200(300),,138.9055(2) +57-La-134,133.9085140(210),,138.9055(2) +57-La-135,134.9069840(100),,138.9055(2) +57-La-136,135.9076300(600),,138.9055(2) +57-La-137,136.90645040(180),,138.9055(2) +57-La-138,137.907124000(400),0.090(1),138.9055(2) +57-La-139,138.906362900(700),99.910(1),138.9055(2) +57-La-140,139.909487300(700),,138.9055(2) +57-La-141,140.91097100(400),,138.9055(2) +57-La-142,141.91409100(700),,138.9055(2) +57-La-143,142.91607900(800),,138.9055(2) +57-La-144,143.9196460(140),,138.9055(2) +57-La-145,144.9218080(130),,138.9055(2) +57-La-146,145.92568800(180),,138.9055(2) +57-La-147,146.9284180(120),,138.9055(2) +57-La-148,147.9326790(210),,138.9055(2) +57-La-149,148.935350(210),,138.9055(2) +57-La-150,149.93954750(270),,138.9055(2) +57-La-151,150.942770(470),,138.9055(2) +57-La-152,151.947090(320)#,,138.9055(2) +57-La-153,152.950550(320)#,,138.9055(2) +57-La-154,153.955420(320)#,,138.9055(2) +57-La-155,154.959280(430)#,,138.9055(2) +58-Ce-119,118.952960(540)#,,140.116(1) +58-Ce-120,119.946610(540)#,,140.116(1) +58-Ce-121,120.943440(430)#,,140.116(1) +58-Ce-122,121.937870(430)#,,140.116(1) +58-Ce-123,122.935280(320)#,,140.116(1) +58-Ce-124,123.930310(320)#,,140.116(1) +58-Ce-125,124.928440(210)#,,140.116(1) +58-Ce-126,125.9239700(300),,140.116(1) +58-Ce-127,126.9227300(300),,140.116(1) +58-Ce-128,127.9189100(300),,140.116(1) +58-Ce-129,128.9181000(300),,140.116(1) +58-Ce-130,129.9147400(300),,140.116(1) +58-Ce-131,130.9144300(400),,140.116(1) +58-Ce-132,131.9114660(220),,140.116(1) +58-Ce-133,132.9115200(180),,140.116(1) +58-Ce-134,133.9089280(220),,140.116(1) +58-Ce-135,134.9091610(110),,140.116(1) +58-Ce-136,135.907129300(300),0.185(2),140.116(1) +58-Ce-137,136.907762400(400),,140.116(1) +58-Ce-138,137.905994200(500),0.251(2),140.116(1) +58-Ce-139,138.90664700(220),,140.116(1) +58-Ce-140,139.90544840(140),88.450(51),140.116(1) +58-Ce-141,140.90828600(140),,140.116(1) +58-Ce-142,141.90925020(260),11.114(51),140.116(1) +58-Ce-143,142.91239200(260),,140.116(1) +58-Ce-144,143.91365300(300),,140.116(1) +58-Ce-145,144.9172700(400),,140.116(1) +58-Ce-146,145.9188120(160),,140.116(1) +58-Ce-147,146.92269000(900),,140.116(1) +58-Ce-148,147.9244240(120),,140.116(1) +58-Ce-149,148.9284270(110),,140.116(1) +58-Ce-150,149.9303840(130),,140.116(1) +58-Ce-151,150.9342720(190),,140.116(1) +58-Ce-152,151.936680(220)#,,140.116(1) +58-Ce-153,152.941050(220)#,,140.116(1) +58-Ce-154,153.943940(220)#,,140.116(1) +58-Ce-155,154.948710(320)#,,140.116(1) +58-Ce-156,155.951880(320)#,,140.116(1) +58-Ce-157,156.957130(430)#,,140.116(1) +59-Pr-121,120.955390(540)#,,140.90765(2) +59-Pr-122,121.951930(540)#,,140.90765(2) +59-Pr-123,122.946080(430)#,,140.90765(2) +59-Pr-124,123.942940(430)#,,140.90765(2) +59-Pr-125,124.937660(320)#,,140.90765(2) +59-Pr-126,125.935240(210)#,,140.90765(2) +59-Pr-127,126.930710(210)#,,140.90765(2) +59-Pr-128,127.9287900(300),,140.90765(2) +59-Pr-129,128.9251000(300),,140.90765(2) +59-Pr-130,129.9235900(700),,140.90765(2) +59-Pr-131,130.9202300(500),,140.90765(2) +59-Pr-132,131.9192400(300),,140.90765(2) +59-Pr-133,132.9163310(130),,140.90765(2) +59-Pr-134,133.9156970(220),,140.90765(2) +59-Pr-135,134.9131120(130),,140.90765(2) +59-Pr-136,135.9126770(120),,140.90765(2) +59-Pr-137,136.91067900(900),,140.90765(2) +59-Pr-138,137.9107570(110),,140.90765(2) +59-Pr-139,138.90893300(400),,140.90765(2) +59-Pr-140,139.90908600(700),,140.90765(2) +59-Pr-141,140.90765960(160),100,140.90765(2) +59-Pr-142,141.91005160(160),,140.90765(2) +59-Pr-143,142.91082260(190),,140.90765(2) +59-Pr-144,143.91331070(290),,140.90765(2) +59-Pr-145,144.91451800(800),,140.90765(2) +59-Pr-146,145.9176900(400),,140.90765(2) +59-Pr-147,146.9190070(170),,140.90765(2) +59-Pr-148,147.9221300(160),,140.90765(2) +59-Pr-149,148.9237360(110),,140.90765(2) +59-Pr-150,149.9266760(100),,140.90765(2) +59-Pr-151,150.9283090(130),,140.90765(2) +59-Pr-152,151.9315530(200),,140.90765(2) +59-Pr-153,152.9339040(130),,140.90765(2) +59-Pr-154,153.937890(110),,140.90765(2) +59-Pr-155,154.9405090(180),,140.90765(2) +59-Pr-156,155.94476690(110),,140.90765(2) +59-Pr-157,156.94800300(300),,140.90765(2) +59-Pr-158,157.952600(320)#,,140.90765(2) +59-Pr-159,158.956230(430)#,,140.90765(2) +60-Nd-126,125.942690(320)#,,144.24(3) +60-Nd-127,126.939980(320)#,,144.24(3) +60-Nd-128,127.935020(220)#,,144.24(3) +60-Nd-129,128.933040(220)#,,144.24(3) +60-Nd-130,129.9285100(300),,144.24(3) +60-Nd-131,130.9272480(300),,144.24(3) +60-Nd-132,131.9233210(260),,144.24(3) +60-Nd-133,132.9223500(500),,144.24(3) +60-Nd-134,133.9187900(130),,144.24(3) +60-Nd-135,134.9181810(210),,144.24(3) +60-Nd-136,135.9149760(130),,144.24(3) +60-Nd-137,136.9145630(130),,144.24(3) +60-Nd-138,137.9119510(120),,144.24(3) +60-Nd-139,138.9119510(300),,144.24(3) +60-Nd-140,139.90954600(400),,144.24(3) +60-Nd-141,140.90961700(300),,144.24(3) +60-Nd-142,141.90772880(130),27.2(5),144.24(3) +60-Nd-143,142.90981980(130),12.2(2),144.24(3) +60-Nd-144,143.91009280(130),23.8(3),144.24(3) +60-Nd-145,144.91257920(140),8.3(1),144.24(3) +60-Nd-146,145.91312250(140),17.2(3),144.24(3) +60-Nd-147,146.91610600(140),,144.24(3) +60-Nd-148,147.91689900(220),5.7(1),144.24(3) +60-Nd-149,148.92015460(220),,144.24(3) +60-Nd-150,149.92090130(120),5.6(2),144.24(3) +60-Nd-151,150.92383940(120),,144.24(3) +60-Nd-152,151.9246910(260),,144.24(3) +60-Nd-153,152.92771790(290),,144.24(3) +60-Nd-154,153.92959740(110),,144.24(3) +60-Nd-155,154.9331360(100),,144.24(3) +60-Nd-156,155.93537040(140),,144.24(3) +60-Nd-157,156.93935110(230),,144.24(3) +60-Nd-158,157.94220560(140),,144.24(3) +60-Nd-159,158.9466200(300),,144.24(3) +60-Nd-160,159.9498400(500),,144.24(3) +60-Nd-161,160.954660(430)#,,144.24(3) +61-Pm-128,127.948230(320)#,,[145] +61-Pm-129,128.942910(320)#,,[145] +61-Pm-130,129.940450(220)#,,[145] +61-Pm-131,130.935830(220)#,,[145] +61-Pm-132,131.933840(160)#,,[145] +61-Pm-133,132.9297800(500),,[145] +61-Pm-134,133.9283300(500),,[145] +61-Pm-135,134.9247900(900),,[145] +61-Pm-136,135.9236000(700),,[145] +61-Pm-137,136.9204800(140),,[145] +61-Pm-138,137.9195760(120),,[145] +61-Pm-139,138.9167990(150),,[145] +61-Pm-140,139.9160360(260),,[145] +61-Pm-141,140.9135550(150),,[145] +61-Pm-142,141.9128910(250),,[145] +61-Pm-143,142.91093800(300),,[145] +61-Pm-144,143.91259600(300),,[145] +61-Pm-145,144.91275600(300),,[145] +61-Pm-146,145.91470200(500),,[145] +61-Pm-147,146.91514490(140),,[145] +61-Pm-148,147.91748100(600),,[145] +61-Pm-149,148.91834150(230),,[145] +61-Pm-150,149.9209900(220),,[145] +61-Pm-151,150.92121700(500),,[145] +61-Pm-152,151.9235050(280),,[145] +61-Pm-153,152.9241560(100),,[145] +61-Pm-154,153.9267130(270),,[145] +61-Pm-155,154.92813700(500),,[145] +61-Pm-156,155.93111410(130),,[145] +61-Pm-157,156.93312100(800),,[145] +61-Pm-158,157.93654690(100),,[145] +61-Pm-159,158.9392860(110),,[145] +61-Pm-160,159.94321530(220),,[145] +61-Pm-161,160.9462300(100),,[145] +61-Pm-162,161.950570(320)#,,[145] +61-Pm-163,162.953880(430)#,,[145] +62-Sm-130,129.948790(430)#,,150.36(3) +62-Sm-131,130.946020(430)#,,150.36(3) +62-Sm-132,131.940810(320)#,,150.36(3) +62-Sm-133,132.938560(320)#,,150.36(3) +62-Sm-134,133.934110(210)#,,150.36(3) +62-Sm-135,134.932520(170),,150.36(3) +62-Sm-136,135.9282760(130),,150.36(3) +62-Sm-137,136.9270100(300),,150.36(3) +62-Sm-138,137.9232440(130),,150.36(3) +62-Sm-139,138.9222970(120),,150.36(3) +62-Sm-140,139.9189950(130),,150.36(3) +62-Sm-141,140.91848200(900),,150.36(3) +62-Sm-142,141.91520940(200),,150.36(3) +62-Sm-143,142.91463480(300),,150.36(3) +62-Sm-144,143.91200630(160),3.07(7),150.36(3) +62-Sm-145,144.91341720(160),,150.36(3) +62-Sm-146,145.91304700(300),,150.36(3) +62-Sm-147,146.91490440(140),14.99(18),150.36(3) +62-Sm-148,147.91482920(130),11.24(10),150.36(3) +62-Sm-149,148.91719120(120),13.82(7),150.36(3) +62-Sm-150,149.91728200(120),7.38(1),150.36(3) +62-Sm-151,150.91993890(120),,150.36(3) +62-Sm-152,151.91973860(110),26.75(16),150.36(3) +62-Sm-153,152.92210360(110),,150.36(3) +62-Sm-154,153.92221580(140),22.75(29),150.36(3) +62-Sm-155,154.92464660(140),,150.36(3) +62-Sm-156,155.92553800(900),,150.36(3) +62-Sm-157,156.92841900(500),,150.36(3) +62-Sm-158,157.92994900(500),,150.36(3) +62-Sm-159,158.93321700(600),,150.36(3) +62-Sm-160,159.93533700(210),,150.36(3) +62-Sm-161,160.93916000(700),,150.36(3) +62-Sm-162,161.94162200(400),,150.36(3) +62-Sm-163,162.94567900(800),,150.36(3) +62-Sm-164,163.94855000(400),,150.36(3) +62-Sm-165,164.953290(430)#,,150.36(3) +63-Eu-132,131.954700(430)#,,151.964(1) +63-Eu-133,132.949290(320)#,,151.964(1) +63-Eu-134,133.946540(320)#,,151.964(1) +63-Eu-135,134.941870(210)#,,151.964(1) +63-Eu-136,135.939620(210)#,,151.964(1) +63-Eu-137,136.93543100(500),,151.964(1) +63-Eu-138,137.9337100(300),,151.964(1) +63-Eu-139,138.9297920(140),,151.964(1) +63-Eu-140,139.9280900(600),,151.964(1) +63-Eu-141,140.9249320(140),,151.964(1) +63-Eu-142,141.9234500(300),,151.964(1) +63-Eu-143,142.9202990(120),,151.964(1) +63-Eu-144,143.9188190(120),,151.964(1) +63-Eu-145,144.91627300(300),,151.964(1) +63-Eu-146,145.91721100(600),,151.964(1) +63-Eu-147,146.91675240(280),,151.964(1) +63-Eu-148,147.9180910(110),,151.964(1) +63-Eu-149,148.91793700(400),,151.964(1) +63-Eu-150,149.91970700(700),,151.964(1) +63-Eu-151,150.91985660(130),47.81(3),151.964(1) +63-Eu-152,151.92175100(130),,151.964(1) +63-Eu-153,152.92123680(130),52.19(3),151.964(1) +63-Eu-154,153.92298570(130),,151.964(1) +63-Eu-155,154.92289980(130),,151.964(1) +63-Eu-156,155.92476300(400),,151.964(1) +63-Eu-157,156.92543300(500),,151.964(1) +63-Eu-158,157.92778220(220),,151.964(1) +63-Eu-159,158.92910000(500),,151.964(1) +63-Eu-160,159.93183700(100),,151.964(1) +63-Eu-161,160.9336640(110),,151.964(1) +63-Eu-162,161.93695830(140),,151.964(1) +63-Eu-163,162.93926550(100),,151.964(1) +63-Eu-164,163.94285290(220),,151.964(1) +63-Eu-165,164.94554000(600),,151.964(1) +63-Eu-166,165.949810(110)#,,151.964(1) +63-Eu-167,166.953010(430)#,,151.964(1) +64-Gd-136,135.947300(320)#,,157.25(3) +64-Gd-137,136.945020(320)#,,157.25(3) +64-Gd-138,137.940250(220)#,,157.25(3) +64-Gd-139,138.938130(210)#,,157.25(3) +64-Gd-140,139.9336700(300),,157.25(3) +64-Gd-141,140.9321260(210),,157.25(3) +64-Gd-142,141.9281200(300),,157.25(3) +64-Gd-143,142.926750(220),,157.25(3) +64-Gd-144,143.9229600(300),,157.25(3) +64-Gd-145,144.9217100(210),,157.25(3) +64-Gd-146,145.91831900(400),,157.25(3) +64-Gd-147,146.91910100(200),,157.25(3) +64-Gd-148,147.91812140(160),,157.25(3) +64-Gd-149,148.91934800(400),,157.25(3) +64-Gd-150,149.91866400(700),,157.25(3) +64-Gd-151,150.92035500(300),,157.25(3) +64-Gd-152,151.91979840(110),0.20(1),157.25(3) +64-Gd-153,152.92175690(110),,157.25(3) +64-Gd-154,153.92087300(110),2.18(3),157.25(3) +64-Gd-155,154.92262940(110),14.80(12),157.25(3) +64-Gd-156,155.92213010(110),20.47(9),157.25(3) +64-Gd-157,156.92396740(100),15.65(2),157.25(3) +64-Gd-158,157.92411120(100),24.84(7),157.25(3) +64-Gd-159,158.92639580(110),,157.25(3) +64-Gd-160,159.92706120(120),21.86(19),157.25(3) +64-Gd-161,160.92967630(160),,157.25(3) +64-Gd-162,161.93099200(400),,157.25(3) +64-Gd-163,162.934096600(900),,157.25(3) +64-Gd-164,163.93591620(110),,157.25(3) +64-Gd-165,164.93931710(140),,157.25(3) +64-Gd-166,165.94163040(170),,157.25(3) +64-Gd-167,166.94549000(600),,157.25(3) +64-Gd-168,167.948310(320)#,,157.25(3) +64-Gd-169,168.952880(430)#,,157.25(3) +65-Tb-138,137.953190(320)#,,158.92534(2) +65-Tb-139,138.948330(320)#,,158.92534(2) +65-Tb-140,139.945810(860),,158.92534(2) +65-Tb-141,140.941450(110),,158.92534(2) +65-Tb-142,141.939280(750),,158.92534(2) +65-Tb-143,142.9351400(600),,158.92534(2) +65-Tb-144,143.9330500(300),,158.92534(2) +65-Tb-145,144.928720(120),,158.92534(2) +65-Tb-146,145.9272500(500),,158.92534(2) +65-Tb-147,146.92405500(900),,158.92534(2) +65-Tb-148,147.9242750(130),,158.92534(2) +65-Tb-149,148.92325400(400),,158.92534(2) +65-Tb-150,149.92366500(800),,158.92534(2) +65-Tb-151,150.92310900(400),,158.92534(2) +65-Tb-152,151.9240800(400),,158.92534(2) +65-Tb-153,152.92344200(400),,158.92534(2) +65-Tb-154,153.9246800(500),,158.92534(2) +65-Tb-155,154.9235100(110),,158.92534(2) +65-Tb-156,155.92475400(400),,158.92534(2) +65-Tb-157,156.92403190(110),,158.92534(2) +65-Tb-158,157.92541990(140),,158.92534(2) +65-Tb-159,158.92535370(120),100,158.92534(2) +65-Tb-160,159.92717460(120),,158.92534(2) +65-Tb-161,160.92757680(130),,158.92534(2) +65-Tb-162,161.92927540(220),,158.92534(2) +65-Tb-163,162.93065400(400),,158.92534(2) +65-Tb-164,163.93332760(200),,158.92534(2) +65-Tb-165,164.93495520(170),,158.92534(2) +65-Tb-166,165.93793970(160),,158.92534(2) +65-Tb-167,166.94000700(210),,158.92534(2) +65-Tb-168,167.94333700(500),,158.92534(2) +65-Tb-169,168.945810(320)#,,158.92534(2) +65-Tb-170,169.949860(320)#,,158.92534(2) +65-Tb-171,170.953010(430)#,,158.92534(2) +66-Dy-140,139.954020(430)#,,162.500(1) +66-Dy-141,140.951280(320)#,,162.500(1) +66-Dy-142,141.946190(780)#,,162.500(1) +66-Dy-143,142.9439940(140),,162.500(1) +66-Dy-144,143.93927000(800),,162.500(1) +66-Dy-145,144.93747400(700),,162.500(1) +66-Dy-146,145.93284500(700),,162.500(1) +66-Dy-147,146.9310830(100),,162.500(1) +66-Dy-148,147.92715000(900),,162.500(1) +66-Dy-149,148.9273280(100),,162.500(1) +66-Dy-150,149.92559300(500),,162.500(1) +66-Dy-151,150.92619100(300),,162.500(1) +66-Dy-152,151.92472500(500),,162.500(1) +66-Dy-153,152.92577200(400),,162.500(1) +66-Dy-154,153.92442900(800),,162.500(1) +66-Dy-155,154.9257580(100),,162.500(1) +66-Dy-156,155.92428360(110),0.06(1),162.500(1) +66-Dy-157,156.92547000(600),,162.500(1) +66-Dy-158,157.92441480(250),0.10(1),162.500(1) +66-Dy-159,158.92574590(150),,162.500(1) +66-Dy-160,159.925203600(800),2.34(8),162.500(1) +66-Dy-161,160.926939400(700),18.91(24),162.500(1) +66-Dy-162,161.926804500(700),25.51(26),162.500(1) +66-Dy-163,162.928737200(700),24.90(16),162.500(1) +66-Dy-164,163.929180800(700),28.18(37),162.500(1) +66-Dy-165,164.931709400(700),,162.500(1) +66-Dy-166,165.932812800(900),,162.500(1) +66-Dy-167,166.93568200(400),,162.500(1) +66-Dy-168,167.937130(150),,162.500(1) +66-Dy-169,168.940320(320),,162.500(1) +66-Dy-170,169.942340(220)#,,162.500(1) +66-Dy-171,170.946310(220)#,,162.500(1) +66-Dy-172,171.948730(320)#,,162.500(1) +66-Dy-173,172.953040(430)#,,162.500(1) +67-Ho-142,141.960010(430)#,,164.93032(2) +67-Ho-143,142.954860(320)#,,164.93032(2) +67-Ho-144,143.95211000(900),,164.93032(2) +67-Ho-145,144.94726700(800),,164.93032(2) +67-Ho-146,145.94499400(700),,164.93032(2) +67-Ho-147,146.94014200(500),,164.93032(2) +67-Ho-148,147.9377400(900),,164.93032(2) +67-Ho-149,148.9338200(130),,164.93032(2) +67-Ho-150,149.9334980(150),,164.93032(2) +67-Ho-151,150.93169800(900),,164.93032(2) +67-Ho-152,151.9317180(130),,164.93032(2) +67-Ho-153,152.93020700(500),,164.93032(2) +67-Ho-154,153.93060700(900),,164.93032(2) +67-Ho-155,154.9291030(190),,164.93032(2) +67-Ho-156,155.9296400(400),,164.93032(2) +67-Ho-157,156.9282520(250),,164.93032(2) +67-Ho-158,157.9289450(290),,164.93032(2) +67-Ho-159,158.92771900(300),,164.93032(2) +67-Ho-160,159.9287360(160),,164.93032(2) +67-Ho-161,160.92786180(230),,164.93032(2) +67-Ho-162,161.92910300(300),,164.93032(2) +67-Ho-163,162.928740300(700),,164.93032(2) +67-Ho-164,163.93024050(150),,164.93032(2) +67-Ho-165,164.930329100(800),100,164.93032(2) +67-Ho-166,165.932291200(800),,164.93032(2) +67-Ho-167,166.93314000(600),,164.93032(2) +67-Ho-168,167.9355200(300),,164.93032(2) +67-Ho-169,168.9368800(220),,164.93032(2) +67-Ho-170,169.9396300(500),,164.93032(2) +67-Ho-171,170.941470(640),,164.93032(2) +67-Ho-172,171.944730(210)#,,164.93032(2) +67-Ho-173,172.947020(320)#,,164.93032(2) +67-Ho-174,173.950760(320)#,,164.93032(2) +67-Ho-175,174.953520(430)#,,164.93032(2) +68-Er-144,143.960700(210)#,,167.259(3) +68-Er-145,144.957870(220)#,,167.259(3) +68-Er-146,145.95241800(700),,167.259(3) +68-Er-147,146.9499600(400),,167.259(3) +68-Er-148,147.9447350(110),,167.259(3) +68-Er-149,148.9423100(300),,167.259(3) +68-Er-150,149.9379160(180),,167.259(3) +68-Er-151,150.9374490(180),,167.259(3) +68-Er-152,151.93505000(900),,167.259(3) +68-Er-153,152.9350860(100),,167.259(3) +68-Er-154,153.93279100(500),,167.259(3) +68-Er-155,154.93321600(700),,167.259(3) +68-Er-156,155.9310660(260),,167.259(3) +68-Er-157,156.9319230(280),,167.259(3) +68-Er-158,157.9298930(270),,167.259(3) +68-Er-159,158.93069100(400),,167.259(3) +68-Er-160,159.9290770(260),,167.259(3) +68-Er-161,160.93000400(900),,167.259(3) +68-Er-162,161.928787300(800),0.14(1),167.259(3) +68-Er-163,162.93004000(500),,167.259(3) +68-Er-164,163.929207700(800),1.61(3),167.259(3) +68-Er-165,164.93073350(100),,167.259(3) +68-Er-166,165.930301100(400),33.61(35),167.259(3) +68-Er-167,166.932056200(300),22.93(17),167.259(3) +68-Er-168,167.932378280(280),26.78(26),167.259(3) +68-Er-169,168.934598400(300),,167.259(3) +68-Er-170,169.93547190(150),14.93(27),167.259(3) +68-Er-171,170.93803740(150),,167.259(3) +68-Er-172,171.93936300(400),,167.259(3) +68-Er-173,172.942400(210)#,,167.259(3) +68-Er-174,173.944230(320)#,,167.259(3) +68-Er-175,174.947770(430)#,,167.259(3) +68-Er-176,175.949940(430)#,,167.259(3) +68-Er-177,176.953990(540)#,,167.259(3) +69-Tm-146,145.966660(220)#,,168.93421(2) +69-Tm-147,146.96138000(700),,168.93421(2) +69-Tm-148,147.9583840(110),,168.93421(2) +69-Tm-149,148.952830(220)#,,168.93421(2) +69-Tm-150,149.950090(210)#,,168.93421(2) +69-Tm-151,150.9454940(210),,168.93421(2) +69-Tm-152,151.9444800(600),,168.93421(2) +69-Tm-153,152.9420580(130),,168.93421(2) +69-Tm-154,153.9415700(150),,168.93421(2) +69-Tm-155,154.9392100(110),,168.93421(2) +69-Tm-156,155.9389860(150),,168.93421(2) +69-Tm-157,156.9369700(300),,168.93421(2) +69-Tm-158,157.9369800(270),,168.93421(2) +69-Tm-159,158.9349800(300),,168.93421(2) +69-Tm-160,159.9352600(400),,168.93421(2) +69-Tm-161,160.9335500(300),,168.93421(2) +69-Tm-162,161.9340010(280),,168.93421(2) +69-Tm-163,162.93265800(600),,168.93421(2) +69-Tm-164,163.9335380(270),,168.93421(2) +69-Tm-165,164.93244180(180),,168.93421(2) +69-Tm-166,165.9335620(120),,168.93421(2) +69-Tm-167,166.93285720(140),,168.93421(2) +69-Tm-168,167.93417850(180),,168.93421(2) +69-Tm-169,168.934219000(800),100,168.93421(2) +69-Tm-170,169.935807100(800),,168.93421(2) +69-Tm-171,170.93643520(100),,168.93421(2) +69-Tm-172,171.93840700(600),,168.93421(2) +69-Tm-173,172.93960700(500),,168.93421(2) +69-Tm-174,173.9421700(500),,168.93421(2) +69-Tm-175,174.9438400(500),,168.93421(2) +69-Tm-176,175.947000(110),,168.93421(2) +69-Tm-177,176.948930(220)#,,168.93421(2) +69-Tm-178,177.952510(320)#,,168.93421(2) +69-Tm-179,178.955020(430)#,,168.93421(2) +70-Yb-148,147.967550(430)#,,173.04(3) +70-Yb-149,148.964220(320)#,,173.04(3) +70-Yb-150,149.958310(320)#,,173.04(3) +70-Yb-151,150.955400(320),,173.04(3) +70-Yb-152,151.950330(160),,173.04(3) +70-Yb-153,152.949370(220)#,,173.04(3) +70-Yb-154,153.9463960(190),,173.04(3) +70-Yb-155,154.9457830(180),,173.04(3) +70-Yb-156,155.9428170(100),,173.04(3) +70-Yb-157,156.9426510(120),,173.04(3) +70-Yb-158,157.93987100(900),,173.04(3) +70-Yb-159,158.9400600(190),,173.04(3) +70-Yb-160,159.93755900(600),,173.04(3) +70-Yb-161,160.9379120(160),,173.04(3) +70-Yb-162,161.9357790(160),,173.04(3) +70-Yb-163,162.9363450(160),,173.04(3) +70-Yb-164,163.9345010(160),,173.04(3) +70-Yb-165,164.9352700(280),,173.04(3) +70-Yb-166,165.93387600(800),,173.04(3) +70-Yb-167,166.93495400(400),,173.04(3) +70-Yb-168,167.933891300(100),0.13(1),173.04(3) +70-Yb-169,168.935184210(190),,173.04(3) +70-Yb-170,169.9347672430(110),3.04(15),173.04(3) +70-Yb-171,170.9363315150(140),14.28(57),173.04(3) +70-Yb-172,171.9363866540(150),21.83(67),173.04(3) +70-Yb-173,172.9382162120(120),16.13(27),173.04(3) +70-Yb-174,173.9388675460(120),31.83(92),173.04(3) +70-Yb-175,174.9412819100(800),,173.04(3) +70-Yb-176,175.9425747060(160),12.76(41),173.04(3) +70-Yb-177,176.945263850(240),,173.04(3) +70-Yb-178,177.94666900(700),,173.04(3) +70-Yb-179,178.949930(220)#,,173.04(3) +70-Yb-180,179.951990(320)#,,173.04(3) +70-Yb-181,180.955890(320)#,,173.04(3) +71-Lu-150,149.973410(320)#,,174.967(1) +71-Lu-151,150.967470(320)#,,174.967(1) +71-Lu-152,151.964120(210)#,,174.967(1) +71-Lu-153,152.958800(160),,174.967(1) +71-Lu-154,153.957420(220)#,,174.967(1) +71-Lu-155,154.9543260(210),,174.967(1) +71-Lu-156,155.9530900(600),,174.967(1) +71-Lu-157,156.9501450(130),,174.967(1) +71-Lu-158,157.9493160(160),,174.967(1) +71-Lu-159,158.9466400(400),,174.967(1) +71-Lu-160,159.9460300(600),,174.967(1) +71-Lu-161,160.9435700(300),,174.967(1) +71-Lu-162,161.9432800(800),,174.967(1) +71-Lu-163,162.9411800(300),,174.967(1) +71-Lu-164,163.9413400(300),,174.967(1) +71-Lu-165,164.9394070(280),,174.967(1) +71-Lu-166,165.9398600(300),,174.967(1) +71-Lu-167,166.9382400(400),,174.967(1) +71-Lu-168,167.9387300(400),,174.967(1) +71-Lu-169,168.93764600(300),,174.967(1) +71-Lu-170,169.9384790(180),,174.967(1) +71-Lu-171,170.93791860(200),,174.967(1) +71-Lu-172,171.93909130(250),,174.967(1) +71-Lu-173,172.93893570(170),,174.967(1) +71-Lu-174,173.94034280(170),,174.967(1) +71-Lu-175,174.94077720(130),97.41(2),174.967(1) +71-Lu-176,175.94269170(130),2.59(2),174.967(1) +71-Lu-177,176.94376360(130),,174.967(1) +71-Lu-178,177.94596010(240),,174.967(1) +71-Lu-179,178.94733300(600),,174.967(1) +71-Lu-180,179.9498900(800),,174.967(1) +71-Lu-181,180.951910(140),,174.967(1) +71-Lu-182,181.955160(220)#,,174.967(1) +71-Lu-183,182.9573600(900),,174.967(1) +71-Lu-184,183.961030(220)#,,174.967(1) +72-Hf-154,153.964860(320)#,,178.49(2) +72-Hf-155,154.963170(320)#,,178.49(2) +72-Hf-156,155.959400(160),,178.49(2) +72-Hf-157,156.958290(220)#,,178.49(2) +72-Hf-158,157.9548010(190),,178.49(2) +72-Hf-159,158.9539960(180),,178.49(2) +72-Hf-160,159.9506830(100),,178.49(2) +72-Hf-161,160.9502780(250),,178.49(2) +72-Hf-162,161.9472160(100),,178.49(2) +72-Hf-163,162.9471070(280),,178.49(2) +72-Hf-164,163.9443710(170),,178.49(2) +72-Hf-165,164.9445700(300),,178.49(2) +72-Hf-166,165.9421800(300),,178.49(2) +72-Hf-167,166.9426000(300),,178.49(2) +72-Hf-168,167.9405700(300),,178.49(2) +72-Hf-169,168.9412600(300),,178.49(2) +72-Hf-170,169.9396100(300),,178.49(2) +72-Hf-171,170.9404900(300),,178.49(2) +72-Hf-172,171.9394500(260),,178.49(2) +72-Hf-173,172.9405100(300),,178.49(2) +72-Hf-174,173.94004840(240),0.16(1),178.49(2) +72-Hf-175,174.94151140(250),,178.49(2) +72-Hf-176,175.94140980(160),5.26(7),178.49(2) +72-Hf-177,176.94323020(150),18.60(9),178.49(2) +72-Hf-178,177.94370830(150),27.28(7),178.49(2) +72-Hf-179,178.94582570(150),13.62(2),178.49(2) +72-Hf-180,179.94655950(150),35.08(16),178.49(2) +72-Hf-181,180.94911080(150),,178.49(2) +72-Hf-182,181.95056400(700),,178.49(2) +72-Hf-183,182.9535300(300),,178.49(2) +72-Hf-184,183.9554500(400),,178.49(2) +72-Hf-185,184.9588600(700),,178.49(2) +72-Hf-186,185.9609000(600),,178.49(2) +73-Ta-156,155.972090(320)#,,180.9479(1) +73-Ta-157,156.968230(160),,180.9479(1) +73-Ta-158,157.966590(220)#,,180.9479(1) +73-Ta-159,158.9630280(210),,180.9479(1) +73-Ta-160,159.9615400(600),,180.9479(1) +73-Ta-161,160.9583690(260),,180.9479(1) +73-Ta-162,161.9572900(700),,180.9479(1) +73-Ta-163,162.9543400(400),,180.9479(1) +73-Ta-164,163.9535300(300),,180.9479(1) +73-Ta-165,164.9507800(150),,180.9479(1) +73-Ta-166,165.9505100(300),,180.9479(1) +73-Ta-167,166.9480900(300),,180.9479(1) +73-Ta-168,167.9480500(300),,180.9479(1) +73-Ta-169,168.9460100(300),,180.9479(1) +73-Ta-170,169.9461800(300),,180.9479(1) +73-Ta-171,170.9444800(300),,180.9479(1) +73-Ta-172,171.9449000(300),,180.9479(1) +73-Ta-173,172.9437500(300),,180.9479(1) +73-Ta-174,173.9444500(300),,180.9479(1) +73-Ta-175,174.9437400(300),,180.9479(1) +73-Ta-176,175.9448600(300),,180.9479(1) +73-Ta-177,176.94448200(400),,180.9479(1) +73-Ta-178,177.9456800(600)#,,180.9479(1) +73-Ta-179,178.94593910(160),,180.9479(1) +73-Ta-180,179.94746760(220),0.012(2),180.9479(1) +73-Ta-181,180.94799850(170),99.988(2),180.9479(1) +73-Ta-182,181.95015460(170),,180.9479(1) +73-Ta-183,182.95137540(170),,180.9479(1) +73-Ta-184,183.9540100(280),,180.9479(1) +73-Ta-185,184.9555610(150),,180.9479(1) +73-Ta-186,185.9585500(600),,180.9479(1) +73-Ta-187,186.9603900(600),,180.9479(1) +73-Ta-188,187.963600(220)#,,180.9479(1) +74-W-158,157.974570(320)#,,183.84(1) +74-W-159,158.972700(320)#,,183.84(1) +74-W-160,159.968510(160),,183.84(1) +74-W-161,160.967250(220)#,,183.84(1) +74-W-162,161.9635000(190),,183.84(1) +74-W-163,162.9625200(600),,183.84(1) +74-W-164,163.9589520(100),,183.84(1) +74-W-165,164.9582810(280),,183.84(1) +74-W-166,165.9550320(100),,183.84(1) +74-W-167,166.9548110(200),,183.84(1) +74-W-168,167.9518050(140),,183.84(1) +74-W-169,168.9517790(170),,183.84(1) +74-W-170,169.9492310(140),,183.84(1) +74-W-171,170.9494500(300),,183.84(1) +74-W-172,171.9472900(300),,183.84(1) +74-W-173,172.9476900(300),,183.84(1) +74-W-174,173.9460800(300),,183.84(1) +74-W-175,174.9467200(300),,183.84(1) +74-W-176,175.9456300(300),,183.84(1) +74-W-177,176.9466400(300),,183.84(1) +74-W-178,177.9458860(160),,183.84(1) +74-W-179,178.9470790(160),,183.84(1) +74-W-180,179.94671330(150),0.12(1),183.84(1) +74-W-181,180.94821870(160),,183.84(1) +74-W-182,181.948205600(800),26.50(16),183.84(1) +74-W-183,182.950224400(800),14.31(4),183.84(1) +74-W-184,183.950933200(800),30.64(2),183.84(1) +74-W-185,184.953421200(800),,183.84(1) +74-W-186,185.95436510(130),28.43(19),183.84(1) +74-W-187,186.95716120(130),,183.84(1) +74-W-188,187.95848800(300),,183.84(1) +74-W-189,188.961560(220)#,,183.84(1) +74-W-190,189.9631000(400),,183.84(1) +75-Re-160,159.981880(320)#,,186.207(1) +75-Re-161,160.977620(160),,186.207(1) +75-Re-162,161.975900(220)#,,186.207(1) +75-Re-163,162.9720850(200),,186.207(1) +75-Re-164,163.9705100(600),,186.207(1) +75-Re-165,164.9670860(250),,186.207(1) +75-Re-166,165.9658200(900),,186.207(1) +75-Re-167,166.9626000(400)#,,186.207(1) +75-Re-168,167.9615700(300),,186.207(1) +75-Re-169,168.9587660(120),,186.207(1) +75-Re-170,169.9582350(120),,186.207(1) +75-Re-171,170.9557200(300),,186.207(1) +75-Re-172,171.9553800(400),,186.207(1) +75-Re-173,172.9532400(300),,186.207(1) +75-Re-174,173.9531200(300),,186.207(1) +75-Re-175,174.9513800(300),,186.207(1) +75-Re-176,175.9516200(300),,186.207(1) +75-Re-177,176.9503300(300),,186.207(1) +75-Re-178,177.9509900(300),,186.207(1) +75-Re-179,178.9499900(260),,186.207(1) +75-Re-180,179.9507920(230),,186.207(1) +75-Re-181,180.9500620(130),,186.207(1) +75-Re-182,181.951210(110),,186.207(1) +75-Re-183,182.95082100(900),,186.207(1) +75-Re-184,183.95252800(500),,186.207(1) +75-Re-185,184.952958300(900),37.40(2),186.207(1) +75-Re-186,185.954989200(900),,186.207(1) +75-Re-187,186.955752200(800),62.60(2),186.207(1) +75-Re-188,187.958113700(800),,186.207(1) +75-Re-189,188.95922800(900),,186.207(1) +75-Re-190,189.96180000(500),,186.207(1) +75-Re-191,190.9631230(110),,186.207(1) +75-Re-192,191.9660900(800),,186.207(1) +76-Os-162,161.984430(320)#,,190.23(3) +76-Os-163,162.982460(320)#,,190.23(3) +76-Os-164,163.978070(160),,190.23(3) +76-Os-165,164.976650(220)#,,190.23(3) +76-Os-166,165.9726980(190),,190.23(3) +76-Os-167,166.9715500(900),,190.23(3) +76-Os-168,167.9677990(110),,190.23(3) +76-Os-169,168.9670180(280),,190.23(3) +76-Os-170,169.9635790(100),,190.23(3) +76-Os-171,170.9631800(200),,190.23(3) +76-Os-172,171.9600170(140),,190.23(3) +76-Os-173,172.9598080(160),,190.23(3) +76-Os-174,173.9570630(110),,190.23(3) +76-Os-175,174.9569450(130),,190.23(3) +76-Os-176,175.9547700(120),,190.23(3) +76-Os-177,176.9549580(160),,190.23(3) +76-Os-178,177.9532530(150),,190.23(3) +76-Os-179,178.9538160(170),,190.23(3) +76-Os-180,179.9523820(170),,190.23(3) +76-Os-181,180.9532470(270),,190.23(3) +76-Os-182,181.9521100(230),,190.23(3) +76-Os-183,182.9531300(500),,190.23(3) +76-Os-184,183.952492900(900),0.02(1),190.23(3) +76-Os-185,184.954046000(900),,190.23(3) +76-Os-186,185.953837600(800),1.59(3),190.23(3) +76-Os-187,186.955749600(800),1.96(2),190.23(3) +76-Os-188,187.955837300(800),13.24(8),190.23(3) +76-Os-189,188.958145900(700),16.15(5),190.23(3) +76-Os-190,189.958445400(700),26.26(2),190.23(3) +76-Os-191,190.960928100(700),,190.23(3) +76-Os-192,191.96147880(250),40.78(19),190.23(3) +76-Os-193,192.96414960(250),,190.23(3) +76-Os-194,193.96517940(260),,190.23(3) +76-Os-195,194.9683200(600),,190.23(3) +76-Os-196,195.9696400(400),,190.23(3) +77-Ir-165,164.987550(170)#,,192.217(3) +77-Ir-166,165.985720(220)#,,192.217(3) +77-Ir-167,166.9816720(200),,192.217(3) +77-Ir-168,167.9799600(600),,192.217(3) +77-Ir-169,168.9762820(250),,192.217(3) +77-Ir-170,169.975110(110)#,,192.217(3) +77-Ir-171,170.9716500(400),,192.217(3) +77-Ir-172,171.9706100(300),,192.217(3) +77-Ir-173,172.9675050(110),,192.217(3) +77-Ir-174,173.9669500(120),,192.217(3) +77-Ir-175,174.9641500(130),,192.217(3) +77-Ir-176,175.96362600(900),,192.217(3) +77-Ir-177,176.9613020(210),,192.217(3) +77-Ir-178,177.9610790(200),,192.217(3) +77-Ir-179,178.9591180(100),,192.217(3) +77-Ir-180,179.9592290(230),,192.217(3) +77-Ir-181,180.95763500(600),,192.217(3) +77-Ir-182,181.9580760(230),,192.217(3) +77-Ir-183,182.9568410(260),,192.217(3) +77-Ir-184,183.9574800(300),,192.217(3) +77-Ir-185,184.9567000(300),,192.217(3) +77-Ir-186,185.9579470(180),,192.217(3) +77-Ir-187,186.9575400(300),,192.217(3) +77-Ir-188,187.9588350(100),,192.217(3) +77-Ir-189,188.9587230(140),,192.217(3) +77-Ir-190,189.96054340(150),,192.217(3) +77-Ir-191,190.96059150(140),37.3(2),192.217(3) +77-Ir-192,191.96260240(140),,192.217(3) +77-Ir-193,192.96292380(140),62.7(2),192.217(3) +77-Ir-194,193.96507570(140),,192.217(3) +77-Ir-195,194.96597690(140),,192.217(3) +77-Ir-196,195.9684000(400),,192.217(3) +77-Ir-197,196.9696570(220),,192.217(3) +77-Ir-198,197.972400(220)#,,192.217(3) +77-Ir-199,198.9738100(400),,192.217(3) +78-Pt-168,167.988180(160),,195.078(2) +78-Pt-169,168.986620(220)#,,195.078(2) +78-Pt-170,169.9825020(200),,195.078(2) +78-Pt-171,170.9812500(900),,195.078(2) +78-Pt-172,171.9773410(110),,195.078(2) +78-Pt-173,172.9764500(700),,195.078(2) +78-Pt-174,173.9728200(110),,195.078(2) +78-Pt-175,174.9724010(200),,195.078(2) +78-Pt-176,175.9689380(140),,195.078(2) +78-Pt-177,176.9684700(160),,195.078(2) +78-Pt-178,177.9656490(110),,195.078(2) +78-Pt-179,178.96535900(900),,195.078(2) +78-Pt-180,179.9630380(110),,195.078(2) +78-Pt-181,180.9630900(150),,195.078(2) +78-Pt-182,181.9611720(140),,195.078(2) +78-Pt-183,182.9615960(150),,195.078(2) +78-Pt-184,183.9599220(160),,195.078(2) +78-Pt-185,184.9606140(280),,195.078(2) +78-Pt-186,185.9593510(230),,195.078(2) +78-Pt-187,186.9606170(260),,195.078(2) +78-Pt-188,187.95939800(600),,195.078(2) +78-Pt-189,188.9608480(110),,195.078(2) +78-Pt-190,189.959949800(700),0.014(1),195.078(2) +78-Pt-191,190.96167600(400),,195.078(2) +78-Pt-192,191.96104270(280),0.782(7),195.078(2) +78-Pt-193,192.96298450(150),,195.078(2) +78-Pt-194,193.962683500(500),32.967(99),195.078(2) +78-Pt-195,194.964794300(500),33.832(10),195.078(2) +78-Pt-196,195.964954600(500),25.242(41),195.078(2) +78-Pt-197,196.967343000(600),,195.078(2) +78-Pt-198,197.96789670(230),7.163(55),195.078(2) +78-Pt-199,198.97059700(230),,195.078(2) +78-Pt-200,199.9714450(220),,195.078(2) +78-Pt-201,200.9745100(500),,195.078(2) +78-Pt-202,201.9756390(270),,195.078(2) +79-Au-171,170.9918820(220),,196.96655(2) +79-Au-172,171.9900000(600),,196.96655(2) +79-Au-173,172.9862240(240),,196.96655(2) +79-Au-174,173.984910(110)#,,196.96655(2) +79-Au-175,174.9813200(400),,196.96655(2) +79-Au-176,175.9801200(400),,196.96655(2) +79-Au-177,176.9768700(110),,196.96655(2) +79-Au-178,177.9760570(110),,196.96655(2) +79-Au-179,178.9731740(130),,196.96655(2) +79-Au-180,179.97249000(500),,196.96655(2) +79-Au-181,180.9700790(210),,196.96655(2) +79-Au-182,181.9696140(200),,196.96655(2) +79-Au-183,182.9675880(100),,196.96655(2) +79-Au-184,183.9674520(240),,196.96655(2) +79-Au-185,184.96579890(280),,196.96655(2) +79-Au-186,185.9659530(230),,196.96655(2) +79-Au-187,186.9645420(240),,196.96655(2) +79-Au-188,187.96524800(290),,196.96655(2) +79-Au-189,188.9639480(220),,196.96655(2) +79-Au-190,189.96475200(400),,196.96655(2) +79-Au-191,190.96371600(500),,196.96655(2) +79-Au-192,191.9648180(170),,196.96655(2) +79-Au-193,192.96413800(900),,196.96655(2) +79-Au-194,193.96541910(230),,196.96655(2) +79-Au-195,194.96503780(120),,196.96655(2) +79-Au-196,195.96657100(300),,196.96655(2) +79-Au-197,196.966570100(600),100,196.96655(2) +79-Au-198,197.968243700(600),,196.96655(2) +79-Au-199,198.968766600(600),,196.96655(2) +79-Au-200,199.9707570(290),,196.96655(2) +79-Au-201,200.97165800(300),,196.96655(2) +79-Au-202,201.9738560(250),,196.96655(2) +79-Au-203,202.97515400(300),,196.96655(2) +79-Au-204,203.978110(220)#,,196.96655(2) +79-Au-205,204.980060(220)#,,196.96655(2) +80-Hg-175,174.9914400(900),,200.59(2) +80-Hg-176,175.9873490(120),,200.59(2) +80-Hg-177,176.9862800(900),,200.59(2) +80-Hg-178,177.9824850(120),,200.59(2) +80-Hg-179,178.9818200(300),,200.59(2) +80-Hg-180,179.9782600(140),,200.59(2) +80-Hg-181,180.9778190(170),,200.59(2) +80-Hg-182,181.9746890(110),,200.59(2) +80-Hg-183,182.97444500(800),,200.59(2) +80-Hg-184,183.9717180(100),,200.59(2) +80-Hg-185,184.9718910(150),,200.59(2) +80-Hg-186,185.9693620(130),,200.59(2) +80-Hg-187,186.9698140(140),,200.59(2) +80-Hg-188,187.96758100(700),,200.59(2) +80-Hg-189,188.9681900(300),,200.59(2) +80-Hg-190,189.9663220(170),,200.59(2) +80-Hg-191,190.9671580(240),,200.59(2) +80-Hg-192,191.9656340(170),,200.59(2) +80-Hg-193,192.9666530(170),,200.59(2) +80-Hg-194,193.96544900(300),,200.59(2) +80-Hg-195,194.9667060(250),,200.59(2) +80-Hg-196,195.96583300(300),0.15(1),200.59(2) +80-Hg-197,196.96721400(300),,200.59(2) +80-Hg-198,197.966769200(500),9.97(20),200.59(2) +80-Hg-199,198.968281000(600),16.87(22),200.59(2) +80-Hg-200,199.968326900(600),23.10(19),200.59(2) +80-Hg-201,200.970303100(800),13.18(9),200.59(2) +80-Hg-202,201.970643600(800),29.86(26),200.59(2) +80-Hg-203,202.97287240(180),,200.59(2) +80-Hg-204,203.973494000(500),6.87(15),200.59(2) +80-Hg-205,204.97607300(400),,200.59(2) +80-Hg-206,205.9775140(220),,200.59(2) +80-Hg-207,206.9823000(300),,200.59(2) +80-Hg-208,207.9857600(300),,200.59(2) +81-Tl-177,176.9964140(230),,204.3833(2) +81-Tl-178,177.995050(110)#,,204.3833(2) +81-Tl-179,178.9911200(400),,204.3833(2) +81-Tl-180,179.9899200(800),,204.3833(2) +81-Tl-181,180.9862600(100),,204.3833(2) +81-Tl-182,181.9856930(130),,204.3833(2) +81-Tl-183,182.9821930(100),,204.3833(2) +81-Tl-184,183.9818750(110),,204.3833(2) +81-Tl-185,184.9787890(220),,204.3833(2) +81-Tl-186,185.9786550(220),,204.3833(2) +81-Tl-187,186.97590500(900),,204.3833(2) +81-Tl-188,187.9760200(300),,204.3833(2) +81-Tl-189,188.97357400(900),,204.3833(2) +81-Tl-190,189.97384200(800),,204.3833(2) +81-Tl-191,190.97178400(800),,204.3833(2) +81-Tl-192,191.9722300(300),,204.3833(2) +81-Tl-193,192.97050200(700),,204.3833(2) +81-Tl-194,193.9710810(150),,204.3833(2) +81-Tl-195,194.9697740(120),,204.3833(2) +81-Tl-196,195.9704810(130),,204.3833(2) +81-Tl-197,196.9695600(150),,204.3833(2) +81-Tl-198,197.97044700(800),,204.3833(2) +81-Tl-199,198.9698800(300),,204.3833(2) +81-Tl-200,199.97096400(600),,204.3833(2) +81-Tl-201,200.9708200(150),,204.3833(2) +81-Tl-202,201.97210890(200),,204.3833(2) +81-Tl-203,202.97234410(130),29.524(14),204.3833(2) +81-Tl-204,203.97386340(120),,204.3833(2) +81-Tl-205,204.97442730(130),70.476(14),204.3833(2) +81-Tl-206,205.97611010(140),,204.3833(2) +81-Tl-207,206.97741900(600),,204.3833(2) +81-Tl-208,207.98201800(200),,204.3833(2) +81-Tl-209,208.98535200(700),,204.3833(2) +81-Tl-210,209.9900730(120),,204.3833(2) +82-Pb-181,180.9966600(900),,207.2(1) +82-Pb-182,181.9926740(130),,207.2(1) +82-Pb-183,182.9918600(300),,207.2(1) +82-Pb-184,183.9881360(140),,207.2(1) +82-Pb-185,184.9876100(170),,207.2(1) +82-Pb-186,185.9842390(120),,207.2(1) +82-Pb-187,186.98391100(500),,207.2(1) +82-Pb-188,187.9808790(110),,207.2(1) +82-Pb-189,188.9808440(150),,207.2(1) +82-Pb-190,189.9780820(130),,207.2(1) +82-Pb-191,190.97821600(700),,207.2(1) +82-Pb-192,191.97579000(600),,207.2(1) +82-Pb-193,192.9761360(110),,207.2(1) +82-Pb-194,193.9740120(190),,207.2(1) +82-Pb-195,194.97451600(500),,207.2(1) +82-Pb-196,195.97278800(800),,207.2(1) +82-Pb-197,196.97343500(500),,207.2(1) +82-Pb-198,197.97201500(900),,207.2(1) +82-Pb-199,198.97291300(700),,207.2(1) +82-Pb-200,199.9718190(110),,207.2(1) +82-Pb-201,200.9728700(150),,207.2(1) +82-Pb-202,201.97215200(400),,207.2(1) +82-Pb-203,202.97339100(700),,207.2(1) +82-Pb-204,203.97304350(120),1.4(1),207.2(1) +82-Pb-205,204.97448170(120),,207.2(1) +82-Pb-206,205.97446520(120),24.1(1),207.2(1) +82-Pb-207,206.97589680(120),22.1(1),207.2(1) +82-Pb-208,207.97665200(120),52.4(1),207.2(1) +82-Pb-209,208.98109000(190),,207.2(1) +82-Pb-210,209.98418840(160),,207.2(1) +82-Pb-211,210.98873530(240),,207.2(1) +82-Pb-212,211.99189590(200),,207.2(1) +82-Pb-213,212.99656100(700),,207.2(1) +82-Pb-214,213.99980350(210),,207.2(1) +83-Bi-185,184.9976000(900)#,,208.98038(2) +83-Bi-186,185.9966230(180),,208.98038(2) +83-Bi-187,186.9931470(110),,208.98038(2) +83-Bi-188,187.9922760(120),,208.98038(2) +83-Bi-189,188.9891950(220),,208.98038(2) +83-Bi-190,189.9886250(230),,208.98038(2) +83-Bi-191,190.98578700(800),,208.98038(2) +83-Bi-192,191.9854700(300),,208.98038(2) +83-Bi-193,192.98294700(800),,208.98038(2) +83-Bi-194,193.98279900(600),,208.98038(2) +83-Bi-195,194.98064900(600),,208.98038(2) +83-Bi-196,195.9806670(260),,208.98038(2) +83-Bi-197,196.97886500(900),,208.98038(2) +83-Bi-198,197.9792010(300),,208.98038(2) +83-Bi-199,198.9776730(110),,208.98038(2) +83-Bi-200,199.9781310(240),,208.98038(2) +83-Bi-201,200.9769950(130),,208.98038(2) +83-Bi-202,201.9777230(150),,208.98038(2) +83-Bi-203,202.9768920(140),,208.98038(2) +83-Bi-204,203.9778360(100),,208.98038(2) +83-Bi-205,204.97738500(500),,208.98038(2) +83-Bi-206,205.97849900(800),,208.98038(2) +83-Bi-207,206.97847060(260),,208.98038(2) +83-Bi-208,207.97974210(250),,208.98038(2) +83-Bi-209,208.98039860(150),100,208.98038(2) +83-Bi-210,209.98412020(150),,208.98038(2) +83-Bi-211,210.98726900(600),,208.98038(2) +83-Bi-212,211.99128500(200),,208.98038(2) +83-Bi-213,212.99438400(500),,208.98038(2) +83-Bi-214,213.9987110(120),,208.98038(2) +83-Bi-215,215.00174900(600),,208.98038(2) +83-Bi-216,216.0063060(120),,208.98038(2) +84-Po-190,189.9951020(140),,[209] +84-Po-191,190.99455800(800),,[209] +84-Po-192,191.9913400(110),,[209] +84-Po-193,192.9910620(160),,[209] +84-Po-194,193.9881860(140),,[209] +84-Po-195,194.98806600(600),,[209] +84-Po-196,195.98554100(600),,[209] +84-Po-197,196.9856220(110),,[209] +84-Po-198,197.9833890(190),,[209] +84-Po-199,198.98364000(600),,[209] +84-Po-200,199.98181200(800),,[209] +84-Po-201,200.98226400(500),,[209] +84-Po-202,201.98073900(900),,[209] +84-Po-203,202.98141600(500),,[209] +84-Po-204,203.9803100(110),,[209] +84-Po-205,204.9811900(110),,[209] +84-Po-206,205.98047400(400),,[209] +84-Po-207,206.98159300(700),,[209] +84-Po-208,207.98124600(180),,[209] +84-Po-209,208.98243040(190),,[209] +84-Po-210,209.98287370(120),,[209] +84-Po-211,210.98665320(130),,[209] +84-Po-212,211.98886800(120),,[209] +84-Po-213,212.99285700(300),,[209] +84-Po-214,213.99520130(160),,[209] +84-Po-215,214.99941840(230),,[209] +84-Po-216,216.00191340(190),,[209] +84-Po-217,217.00631600(700),,[209] +84-Po-218,218.00897120(210),,[209] +85-At-193,192.9999280(230),,[210] +85-At-194,193.9992310(250),,[210] +85-At-195,194.9962740(100),,[210] +85-At-196,195.9958000(300),,[210] +85-At-197,196.99317700(900),,[210] +85-At-198,197.99279800(500),,[210] +85-At-199,198.99052800(600),,[210] +85-At-200,199.9903510(260),,[210] +85-At-201,200.98841700(900),,[210] +85-At-202,201.9886260(300),,[210] +85-At-203,202.9869430(110),,[210] +85-At-204,203.9872510(240),,[210] +85-At-205,204.9860610(130),,[210] +85-At-206,205.9866460(150),,[210] +85-At-207,206.9858000(130),,[210] +85-At-208,207.9866130(100),,[210] +85-At-209,208.98616900(500),,[210] +85-At-210,209.98714700(800),,[210] +85-At-211,210.98749620(290),,[210] +85-At-212,211.99073730(260),,[210] +85-At-213,212.99293700(500),,[210] +85-At-214,213.99637200(400),,[210] +85-At-215,214.99865100(700),,[210] +85-At-216,216.00242300(400),,[210] +85-At-217,217.00471800(500),,[210] +85-At-218,218.0086960(120),,[210] +85-At-219,219.01116100(300),,[210] 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+87-Fr-219,219.00925100(700),,[223] +87-Fr-220,220.01232700(400),,[223] +87-Fr-221,221.01425400(500),,[223] +87-Fr-222,222.01758300(800),,[223] +87-Fr-223,223.01973420(210),,[223] +87-Fr-224,224.0233480(120),,[223] +87-Fr-225,225.0255720(130),,[223] +87-Fr-226,226.02954500(700),,[223] +87-Fr-227,227.03186500(600),,[223] +87-Fr-228,228.03583900(700),,[223] +87-Fr-229,229.03829100(500),,[223] +87-Fr-230,230.04239100(700),,[223] +87-Fr-231,231.04517500(800),,[223] +87-Fr-232,232.0494610(150),,[223] +88-Ra-203,203.0092340(100),,[226] +88-Ra-204,204.0065070(100),,[226] +88-Ra-205,205.0062310(240),,[226] +88-Ra-206,206.0038280(190),,[226] +88-Ra-207,207.0037700(600),,[226] +88-Ra-208,208.0018550(100),,[226] +88-Ra-209,209.00199500(600),,[226] +88-Ra-210,210.0004750(100),,[226] +88-Ra-211,211.00089300(500),,[226] +88-Ra-212,211.9997870(110),,[226] +88-Ra-213,213.0003710(110),,[226] +88-Ra-214,214.00010000(600),,[226] +88-Ra-215,215.00271800(800),,[226] +88-Ra-216,216.00353400(900),,[226] +88-Ra-217,217.00632300(800),,[226] +88-Ra-218,218.0071340(110),,[226] +88-Ra-219,219.01008500(700),,[226] +88-Ra-220,220.01102800(800),,[226] +88-Ra-221,221.01391700(500),,[226] +88-Ra-222,222.01537300(500),,[226] +88-Ra-223,223.01850060(220),,[226] +88-Ra-224,224.02021040(190),,[226] +88-Ra-225,225.02361050(280),,[226] +88-Ra-226,226.02540820(210),,[226] +88-Ra-227,227.02917620(210),,[226] +88-Ra-228,228.03106860(210),,[226] +88-Ra-229,229.0349570(170),,[226] +88-Ra-230,230.0370550(110),,[226] +88-Ra-231,231.0410270(120),,[226] +88-Ra-232,232.0434750(100),,[226] +88-Ra-233,233.04759500(900),,[226] +88-Ra-234,234.05038200(900),,[226] +89-Ac-207,207.0119700(600),,[227] +89-Ac-208,208.0115500(700),,[227] +89-Ac-209,209.0095000(600),,[227] +89-Ac-210,210.0094100(700),,[227] +89-Ac-211,211.0076700(600),,[227] +89-Ac-212,212.0078360(230),,[227] +89-Ac-213,213.0065930(130),,[227] +89-Ac-214,214.0069060(150),,[227] +89-Ac-215,215.0064740(130),,[227] +89-Ac-216,216.0087490(100),,[227] +89-Ac-217,217.0093420(120),,[227] +89-Ac-218,218.0116500(600),,[227] +89-Ac-219,219.0124200(600),,[227] +89-Ac-220,220.01475500(700),,[227] +89-Ac-221,221.0156000(600),,[227] +89-Ac-222,222.01784400(500),,[227] +89-Ac-223,223.01913600(700),,[227] +89-Ac-224,224.02172200(400),,[227] +89-Ac-225,225.02322900(500),,[227] +89-Ac-226,226.02609700(300),,[227] +89-Ac-227,227.02775060(210),,[227] +89-Ac-228,228.03101970(220),,[227] +89-Ac-229,229.0329470(130),,[227] +89-Ac-230,230.0363270(170),,[227] +89-Ac-231,231.0383930(140),,[227] +89-Ac-232,232.0420340(140),,[227] +89-Ac-233,233.0443460(140),,[227] +89-Ac-234,234.0481390(150),,[227] +89-Ac-235,235.0508400(150),,[227] +89-Ac-236,236.0549900(400),,[227] +90-Th-210,210.0150940(200),,232.0381(1) +90-Th-211,211.0149000(900),,232.0381(1) +90-Th-212,212.0130020(110),,232.0381(1) +90-Th-213,213.0130110(100),,232.0381(1) +90-Th-214,214.0114810(110),,232.0381(1) +90-Th-215,215.01172500(700),,232.0381(1) +90-Th-216,216.0110560(120),,232.0381(1) +90-Th-217,217.0131030(110),,232.0381(1) +90-Th-218,218.0132760(110),,232.0381(1) +90-Th-219,219.0155300(600),,232.0381(1) +90-Th-220,220.0157700(150),,232.0381(1) +90-Th-221,221.01818600(900),,232.0381(1) +90-Th-222,222.0184680(110),,232.0381(1) +90-Th-223,223.02081100(900),,232.0381(1) +90-Th-224,224.0214660(100),,232.0381(1) +90-Th-225,225.02395100(500),,232.0381(1) +90-Th-226,226.02490400(500),,232.0381(1) +90-Th-227,227.02770250(220),,232.0381(1) +90-Th-228,228.02873970(190),,232.0381(1) +90-Th-229,229.03176140(260),,232.0381(1) +90-Th-230,230.03313230(130),,232.0381(1) +90-Th-231,231.03630280(130),,232.0381(1) +90-Th-232,232.03805360(150),100,232.0381(1) +90-Th-233,233.04158010(150),,232.0381(1) +90-Th-234,234.04359980(280),,232.0381(1) +90-Th-235,235.0472550(140),,232.0381(1) +90-Th-236,236.0496570(150),,232.0381(1) +90-Th-237,237.0536290(170),,232.0381(1) +90-Th-238,238.056390(300)#,,232.0381(1) +91-Pa-213,213.0211000(600),,231.03588(2) +91-Pa-214,214.0208900(900),,231.03588(2) +91-Pa-215,215.0191100(900),,231.03588(2) +91-Pa-216,216.0191350(260),,231.03588(2) +91-Pa-217,217.0183090(130),,231.03588(2) +91-Pa-218,218.0200210(190),,231.03588(2) +91-Pa-219,219.0199500(700),,231.03588(2) +91-Pa-220,220.0217700(160),,231.03588(2) +91-Pa-221,221.0218700(600),,231.03588(2) +91-Pa-222,222.0236900(900),,231.03588(2) +91-Pa-223,223.0239800(800),,231.03588(2) +91-Pa-224,224.02561700(800),,231.03588(2) +91-Pa-225,225.0261500(900),,231.03588(2) +91-Pa-226,226.0279480(120),,231.03588(2) +91-Pa-227,227.02880400(800),,231.03588(2) +91-Pa-228,228.03105100(500),,231.03588(2) +91-Pa-229,229.03209600(400),,231.03588(2) +91-Pa-230,230.03454000(300),,231.03588(2) +91-Pa-231,231.03588250(190),100,231.03588(2) +91-Pa-232,232.03859000(800),,231.03588(2) +91-Pa-233,233.04024650(140),,231.03588(2) +91-Pa-234,234.04330600(400),,231.03588(2) +91-Pa-235,235.0453990(150),,231.03588(2) +91-Pa-236,236.0486680(150),,231.03588(2) +91-Pa-237,237.0510230(140),,231.03588(2) +91-Pa-238,238.0546370(170),,231.03588(2) +91-Pa-239,239.057260(210)#,,231.03588(2) +91-Pa-240,240.061200(220)#,,231.03588(2) +92-U-218,218.0235050(150),,238.02891(3) +92-U-219,219.0250090(140),,238.02891(3) +92-U-220,220.024710(110)#,,238.02891(3) +92-U-221,221.0263200(800),,238.02891(3) +92-U-222,222.0260600(600),,238.02891(3) +92-U-223,223.0279600(600),,238.02891(3) +92-U-224,224.0276360(160),,238.02891(3) +92-U-225,225.0293850(110),,238.02891(3) +92-U-226,226.0293390(120),,238.02891(3) +92-U-227,227.03118100(900),,238.02891(3) +92-U-228,228.0313690(140),,238.02891(3) +92-U-229,229.03350600(600),,238.02891(3) +92-U-230,230.03394000(500),,238.02891(3) +92-U-231,231.03629220(290),,238.02891(3) +92-U-232,232.03715480(190),,238.02891(3) +92-U-233,233.03963430(240),,238.02891(3) +92-U-234,234.04095030(120),0.0055(2),238.02891(3) +92-U-235,235.04392810(120),0.7200(51),238.02891(3) +92-U-236,236.04556610(120),,238.02891(3) +92-U-237,237.04872830(130),,238.02891(3) +92-U-238,238.05078690(160),99.2745(106),238.02891(3) +92-U-239,239.05429200(160),,238.02891(3) +92-U-240,240.05659240(270),,238.02891(3) +92-U-241,241.060330(210)#,,238.02891(3) +92-U-242,242.062930(220)#,,238.02891(3) +93-Np-225,225.033940(100),,[237] +93-Np-226,226.035230(110),,[237] +93-Np-227,227.0349800(800),,[237] +93-Np-228,228.036310(110)#,,[237] +93-Np-229,229.036290(110),,[237] +93-Np-230,230.0378300(600),,[237] +93-Np-231,231.0382400(500),,[237] +93-Np-232,232.040110(110)#,,[237] +93-Np-233,233.0407400(500),,[237] +93-Np-234,234.04289300(900),,[237] +93-Np-235,235.04406150(150),,[237] +93-Np-236,236.0465700(500),,[237] +93-Np-237,237.04817160(120),,[237] +93-Np-238,238.05094460(120),,[237] +93-Np-239,239.05293750(140),,[237] +93-Np-240,240.0561640(180),,[237] +93-Np-241,241.058310(110),,[237] +93-Np-242,242.061640(210),,[237] +93-Np-243,243.0642000(300)#,,[237] +93-Np-244,244.067890(110)#,,[237] +94-Pu-228,228.0387630(250),,[244] +94-Pu-229,229.0401500(700),,[244] +94-Pu-230,230.0396480(160),,[244] +94-Pu-231,231.0411260(240),,[244] +94-Pu-232,232.0411820(180),,[244] +94-Pu-233,233.0430000(600),,[244] +94-Pu-234,234.04331700(700),,[244] +94-Pu-235,235.0452850(220),,[244] +94-Pu-236,236.04605670(190),,[244] +94-Pu-237,237.04840790(180),,[244] +94-Pu-238,238.04955820(120),,[244] +94-Pu-239,239.05216160(120),,[244] +94-Pu-240,240.05381170(120),,[244] +94-Pu-241,241.05684970(120),,[244] +94-Pu-242,242.05874100(130),,[244] +94-Pu-243,243.06200210(270),,[244] +94-Pu-244,244.06420440(250),,[244] +94-Pu-245,245.0678250(150),,[244] +94-Pu-246,246.0702040(160),,[244] +94-Pu-247,247.074300(220)#,,[244] +95-Am-231,231.045530(320)#,,[243] +95-Am-232,232.046610(320)#,,[243] +95-Am-233,233.046470(120)#,,[243] +95-Am-234,234.047730(170)#,,[243] +95-Am-235,235.0479100(600),,[243] +95-Am-236,236.049430(130)#,,[243] +95-Am-237,237.0500000(600)#,,[243] +95-Am-238,238.0519800(600),,[243] +95-Am-239,239.05302270(210),,[243] +95-Am-240,240.0552980(150),,[243] +95-Am-241,241.05682730(120),,[243] +95-Am-242,242.05954740(120),,[243] +95-Am-243,243.06137990(150),,[243] +95-Am-244,244.06428290(160),,[243] +95-Am-245,245.06645280(200),,[243] +95-Am-246,246.0697740(190)#,,[243] +95-Am-247,247.072090(110)#,,[243] +95-Am-248,248.075750(220)#,,[243] +95-Am-249,249.078480(320)#,,[243] +96-Cm-233,233.0507700(900),,[247] +96-Cm-234,234.0501590(180),,[247] +96-Cm-235,235.051550(110)#,,[247] +96-Cm-236,236.0513720(190),,[247] +96-Cm-237,237.0528700(800),,[247] +96-Cm-238,238.0530820(130),,[247] +96-Cm-239,239.054910(160),,[247] +96-Cm-240,240.05552820(200),,[247] +96-Cm-241,241.05765120(170),,[247] +96-Cm-242,242.05883420(120),,[247] +96-Cm-243,243.06138730(160),,[247] +96-Cm-244,244.06275060(120),,[247] +96-Cm-245,245.06549100(120),,[247] +96-Cm-246,246.06722200(160),,[247] +96-Cm-247,247.07035300(400),,[247] +96-Cm-248,248.07234910(250),,[247] +96-Cm-249,249.07595400(250),,[247] +96-Cm-250,250.0783580(110),,[247] +96-Cm-251,251.0822850(240),,[247] +96-Cm-252,252.084870(320)#,,[247] +97-Bk-235,235.056650(430)#,,[247] +97-Bk-236,236.057480(390)#,,[247] +97-Bk-237,237.057120(250)#,,[247] +97-Bk-238,238.058200(280)#,,[247] +97-Bk-239,239.058240(220)#,,[247] +97-Bk-240,240.059760(160)#,,[247] +97-Bk-241,241.060100(180)#,,[247] +97-Bk-242,242.062000(140)#,,[247] +97-Bk-243,243.06300600(500),,[247] +97-Bk-244,244.0651790(150),,[247] +97-Bk-245,245.06635980(190),,[247] +97-Bk-246,246.0686700(600),,[247] +97-Bk-247,247.07030600(600),,[247] +97-Bk-248,248.0731400(500),,[247] +97-Bk-249,249.07498310(130),,[247] +97-Bk-250,250.07831700(300),,[247] +97-Bk-251,251.0807610(120),,[247] +97-Bk-252,252.084310(220)#,,[247] +97-Bk-253,253.086880(390)#,,[247] +97-Bk-254,254.090600(320)#,,[247] +98-Cf-237,237.062200(100),,[251] +98-Cf-238,238.061490(320)#,,[251] +98-Cf-239,239.062480(130)#,,[251] +98-Cf-240,240.0622530(190),,[251] +98-Cf-241,241.063690(180)#,,[251] +98-Cf-242,242.0637550(140),,[251] +98-Cf-243,243.065480(190)#,,[251] +98-Cf-244,244.06599940(280),,[251] +98-Cf-245,245.06804680(260),,[251] +98-Cf-246,246.06880370(160),,[251] +98-Cf-247,247.0709710(150),,[251] +98-Cf-248,248.07218300(500),,[251] +98-Cf-249,249.07485040(130),,[251] +98-Cf-250,250.07640450(170),,[251] +98-Cf-251,251.07958700(400),,[251] +98-Cf-252,252.08162650(250),,[251] +98-Cf-253,253.08513400(500),,[251] +98-Cf-254,254.0873240(120),,[251] +98-Cf-255,255.091050(220)#,,[251] +98-Cf-256,256.093440(340)#,,[251] +99-Es-240,240.068950(390)#,,[252] +99-Es-241,241.068590(250)#,,[252] +99-Es-242,242.069570(280)#,,[252] +99-Es-243,243.069510(220)#,,[252] +99-Es-244,244.070880(200)#,,[252] +99-Es-245,245.071190(180)#,,[252] +99-Es-246,246.072810(100),,[252] +99-Es-247,247.0736220(210),,[252] +99-Es-248,248.0754700(600)#,,[252] +99-Es-249,249.0764100(300)#,,[252] +99-Es-250,250.078610(110)#,,[252] +99-Es-251,251.07999100(600),,[252] +99-Es-252,252.0829800(500),,[252] +99-Es-253,253.08482120(130),,[252] +99-Es-254,254.08802400(300),,[252] +99-Es-255,255.0902740(120),,[252] +99-Es-256,256.093600(110)#,,[252] +99-Es-257,257.095980(440)#,,[252] +100-Fm-242,242.073430(430)#,,[257] +100-Fm-243,243.074410(140)#,,[257] +100-Fm-244,244.074040(220)#,,[257] +100-Fm-245,245.075350(210)#,,[257] +100-Fm-246,246.0753530(150),,[257] +100-Fm-247,247.076940(190)#,,[257] +100-Fm-248,248.07718500(900),,[257] +100-Fm-249,249.07892600(700),,[257] +100-Fm-250,250.07952000(800),,[257] +100-Fm-251,251.0815450(150),,[257] +100-Fm-252,252.08246600(600),,[257] +100-Fm-253,253.08518090(170),,[257] +100-Fm-254,254.08685240(200),,[257] +100-Fm-255,255.08996300(400),,[257] +100-Fm-256,256.09177200(300),,[257] +100-Fm-257,257.09510500(500),,[257] +100-Fm-258,258.097080(220)#,,[257] +100-Fm-259,259.100600(300)#,,[257] +101-Md-245,245.080860(280)#,,[258] +101-Md-246,246.081710(280)#,,[258] +101-Md-247,247.081520(220)#,,[258] +101-Md-248,248.082610(200)#,,[258] +101-Md-249,249.082860(180),,[258] +101-Md-250,250.084160(100),,[258] +101-Md-251,251.0847740(200),,[258] +101-Md-252,252.086390(100),,[258] +101-Md-253,253.0871400(300)#,,[258] +101-Md-254,254.089590(110)#,,[258] +101-Md-255,255.09108200(600),,[258] +101-Md-256,256.093890(130)#,,[258] +101-Md-257,257.09553730(170),,[258] +101-Md-258,258.09843400(400),,[258] +101-Md-259,259.100450(110)#,,[258] +101-Md-260,260.103650(340)#,,[258] +102-No-249,249.087800(300)#,,[259] +102-No-250,250.087570(220)#,,[259] +102-No-251,251.088940(190)#,,[259] +102-No-252,252.0889660(100),,[259] +102-No-253,253.09056300(700),,[259] +102-No-254,254.0909540(100),,[259] +102-No-255,255.0931960(150),,[259] +102-No-256,256.09428200(800),,[259] +102-No-257,257.09688400(700),,[259] +102-No-258,258.098210(110)#,,[259] +102-No-259,259.10099800(700),,[259] +102-No-260,260.102640(220)#,,[259] +102-No-261,261.105700(220)#,,[259] +102-No-262,262.107460(390)#,,[259] +103-Lr-251,251.094290(220)#,,[262] +103-Lr-252,252.095050(200)#,,[262] +103-Lr-253,253.095030(180),,[262] +103-Lr-254,254.096240(100),,[262] +103-Lr-255,255.0965620(190),,[262] +103-Lr-256,256.0984900(900),,[262] +103-Lr-257,257.0994800(500)#,,[262] +103-Lr-258,258.101750(110)#,,[262] +103-Lr-259,259.1029000(800)#,,[262] +103-Lr-260,260.105500(130)#,,[262] +103-Lr-261,261.106880(220)#,,[262] +103-Lr-262,262.109620(220)#,,[262] +103-Lr-263,263.111290(240)#,,[262] +104-Rf-253,253.100530(440)#,,[261] +104-Rf-254,254.100060(300)#,,[261] +104-Rf-255,255.101270(190)#,,[261] +104-Rf-256,256.1011510(190),,[261] +104-Rf-257,257.1029170(120),,[261] +104-Rf-258,258.1034300(170),,[261] +104-Rf-259,259.1056000(800)#,,[261] +104-Rf-260,260.106440(220)#,,[261] +104-Rf-261,261.1087700(700),,[261] +104-Rf-262,262.109920(240)#,,[261] +104-Rf-263,263.112460(160)#,,[261] +104-Rf-264,264.113880(390)#,,[261] +105-Db-255,255.106920(300)#,,[262] +105-Db-256,256.107670(200)#,,[262] +105-Db-257,257.107520(180),,[262] +105-Db-258,258.108970(100),,[262] +105-Db-259,259.1094900(600),,[262] +105-Db-260,260.111300(100)#,,[262] +105-Db-261,261.111980(120)#,,[262] +105-Db-262,262.114070(150)#,,[262] +105-Db-263,263.114990(180)#,,[262] +105-Db-264,264.117300(250)#,,[262] +105-Db-265,265.118500(240)#,,[262] +106-Sg-258,258.113040(440)#,,[266] +106-Sg-259,259.114350(190)#,,[266] +106-Sg-260,260.1143830(220),,[266] +106-Sg-261,261.1159480(200),,[266] +106-Sg-262,262.1163390(240),,[266] +106-Sg-263,263.118300(100)#,,[266] +106-Sg-264,264.118930(300)#,,[266] +106-Sg-265,265.121090(150)#,,[266] +106-Sg-266,266.121970(260)#,,[266] +107-Bh-260,260.121440(210)#,,[264] +107-Bh-261,261.121400(190),,[264] +107-Bh-262,262.122650(100),,[264] +107-Bh-263,263.122920(330)#,,[264] +107-Bh-264,264.124490(190)#,,[264] +107-Bh-265,265.124960(260)#,,[264] +107-Bh-266,266.126790(180)#,,[264] +107-Bh-267,267.127500(280)#,,[264] +108-Hs-263,263.128480(210)#,,[277] +108-Hs-264,264.1283600(300),,[277] +108-Hs-265,265.1297920(260),,[277] +108-Hs-266,266.1300490(290),,[277] +108-Hs-267,267.131680(100)#,,[277] +108-Hs-268,268.132010(320)#,,[277] +108-Hs-269,269.133650(140)#,,[277] +108-Hs-277,277.151770(480)#,,[277] +109-Mt-265,265.135940(470)#,,[268] +109-Mt-266,266.137060(100),,[268] +109-Mt-267,267.137190(540)#,,[268] +109-Mt-268,268.138650(250)#,,[268] +109-Mt-269,269.138810(340)#,,[268] +109-Mt-270,270.140320(210)#,,[268] +109-Mt-271,271.140740(350)#,,[268] +110-Ds-267,267.143730(220)#,,[281] +110-Ds-268,268.143480(320)#,,[281] +110-Ds-269,269.1447500(300),,[281] +110-Ds-270,270.1445900(400),,[281] +110-Ds-271,271.145950(100)#,,[281] +110-Ds-272,272.146090(460)#,,[281] +110-Ds-273,273.148460(150)#,,[281] +110-Ds-281,281.164550(530)#,,[281] +111-Rg-272,272.153270(250)#,,[272] +112-Cn-285,285.177230(540)#,,[285] +113-Nh-286,286.182460(630)#,,[286] +114-Fl-289,289.190520(550)#,,[289] +115-Mc-289,289.193970(830)#,,[289] +116-Lv-293,293.204580(550)#,,[293] +117-Ts-294,294.210840(640)#,,[294] +118-Og-294,294.213980(590)#,,[294]\ """ diff --git a/periodictable/mass_2001.py b/periodictable/mass_2001.py new file mode 100644 index 0000000..c4ec2a6 --- /dev/null +++ b/periodictable/mass_2001.py @@ -0,0 +1,3033 @@ +# -*- coding: iso-8859-15 -*- +# This program is public domain +# Author: Paul Kienzle +u""" +Values for mass and isotope composition from +*Atomic Weights of the Elements 1999* with updates from 2001. You can +override the existing tables using: + + from periodictable import elements, mass_2001 + mass_2001.init(elements, reload=True) + +Adds average mass for the elements: + +* mass, mass_units (u) + The molar mass averaged over natural isotope abundance. + +Adds mass and abundance information for isotopes: + +* mass, mass_units (u) + The molar mass of the individual isotope. + +* abundance, abundance_units (%) + Natural abundance for the isotope. + +Atomic Weights and Isotopic Composition [#Coursey]_. + +The atomic weights are available for elements 1 through 112, 114, & 116 and +isotopic compositions or abundances are given when appropriate. The atomic +weights data were published by Coplen [#Coplen]_ in Atomic Weights of the +Elements 1999, (and include changes reported from the 2001 review in +Chem. Int., 23, 179 (2001)) and the isotopic compositions data were +published by Rosman [#Rosman]_ and Taylor [#Taylor]_ in Isotopic Compositions +of the Elements 1997. The relative atomic masses of the isotopes data were +published by Audi [#Audi]_ and Wapstra [#Wapstra]_ in the 1995 Update To The +Atomic Mass Evaluation. + +This data has been compiled from the above sources for the user's convenience +and does not represent a critical evaluation by the NIST Physics Laboratory. +http://physics.nist.gov/PhysRefData/Compositions/ + +Neutron mass from NIST Reference on Constants, Units, and Uncertainty +http://physics.nist.gov/cuu/index.html + +.. [#Coursey] Coursey. J. S., Schwab. D. J., and Dragoset. R. A., NIST, + Physics Laboratory, Office of Electronic Commerce in Scientific + and Engineering Data. +.. [#Coplen] Coplen. T. B. : U.S. Geological Survey, Reston, Virginia, USA. +.. [#Rosman] Rosman. K. J. R. : Department of Applied Physics, Curtin University + of Technology, Australia. +.. [#Taylor] Taylor. P. D. P. : Institute for Reference Materials and + Measurements, European Commission, Belgium. +.. [#Audi] Audi. G. : Centre de Spectrométrie Nucléaire et de Spectrométrie + de Masse, Orsay Campus, France. +.. [#Wapstra] Wapstra. A. H. : National Institute of Nuclear Physics + and High-Energy Physics, Amsterdam, The Netherlands. +""" + +from .core import Element, Isotope +from .mass import mass, abundance +from .util import parse_uncertainty + +def init(table, reload=False): + """Add mass attribute to period table elements and isotopes""" + if 'mass' in table.properties and not reload: + return + table.properties.append('mass') + Element.mass = property(mass, doc=mass.__doc__) + Isotope.mass = property(mass, doc=mass.__doc__) + Isotope.abundance = property(abundance, doc=abundance.__doc__) + Element.mass_units = "u" + Element.abundance_units = "%" + + for line in massdata.split('\n'): + isotope, m, p, avg = line.split(',') + el, sym, iso = isotope.split('-') + el = table[int(el)] + assert el.symbol == sym, \ + "Symbol %s does not match %s"%(sym, el.symbol) + iso = el.add_isotope(int(iso)) + el._mass, el._mass_unc = parse_uncertainty(avg) + iso._mass, iso._mass_unc = parse_uncertainty(m) + iso._abundance,iso._abundance_unc = parse_uncertainty(p) if p else (0,0) + + # A single neutron is an isotope of element 0 + from .constants import neutron_mass + el = table[0] + el._mass = neutron_mass + iso = el.add_isotope(1) + iso._mass = neutron_mass + iso._abundance = 100 + +# z-El-n,iso_mass(unc),abundance%(unc),element_mass(unc) +massdata = """\ +1-H-1,1.0078250321(4),99.9885(70),1.00794(7) +1-H-2,2.0141017780(4),0.0115(70),1.00794(7) +1-H-3,3.0160492675(11),,1.00794(7) +1-H-4,4.02783(12),,1.00794(7) +1-H-5,5.03954(102),,1.00794(7) +1-H-6,6.04494(28),,1.00794(7) +2-He-3,3.0160293097(9),0.000137(3),4.002602(2) +2-He-4,4.0026032497(10),99.999863(3),4.002602(2) +2-He-5,5.012220(50),,4.002602(2) +2-He-6,6.0188881(11),,4.002602(2) +2-He-7,7.028030(30),,4.002602(2) +2-He-8,8.033922(8),,4.002602(2) +2-He-9,9.043820(70),,4.002602(2) +2-He-10,10.052400(80),,4.002602(2) +3-Li-4,4.02718(23),,6.941(2) +3-Li-5,5.012540(50),,6.941(2) +3-Li-6,6.0151223(5),7.59(4),6.941(2) +3-Li-7,7.0160040(5),92.41(4),6.941(2) +3-Li-8,8.0224867(5),,6.941(2) +3-Li-9,9.0267891(21),,6.941(2) +3-Li-10,10.035481(16),,6.941(2) +3-Li-11,11.043796(29),,6.941(2) +3-Li-12,12.05378(107)#,,6.941(2) +4-Be-5,5.04079(429)#,,9.012182(3) +4-Be-6,6.019726(6),,9.012182(3) +4-Be-7,7.0169292(5),,9.012182(3) +4-Be-8,8.00530509(4),,9.012182(3) +4-Be-9,9.0121821(4),100,9.012182(3) +4-Be-10,10.0135337(4),,9.012182(3) +4-Be-11,11.021658(7),,9.012182(3) +4-Be-12,12.026921(16),,9.012182(3) +4-Be-13,13.03613(54),,9.012182(3) +4-Be-14,14.04282(12),,9.012182(3) +5-B-7,7.029920(80),,10.811(7) +5-B-8,8.0246067(12),,10.811(7) +5-B-9,9.0133288(11),,10.811(7) +5-B-10,10.0129370(4),19.9(7),10.811(7) +5-B-11,11.0093055(5),80.1(7),10.811(7) +5-B-12,12.0143521(15),,10.811(7) +5-B-13,13.0177803(12),,10.811(7) +5-B-14,14.025404(23),,10.811(7) +5-B-15,15.031097(24),,10.811(7) +5-B-16,16.039810(60),,10.811(7) +5-B-17,17.04693(15),,10.811(7) +5-B-18,18.05617(86)#,,10.811(7) +5-B-19,19.06373(43)#,,10.811(7) +6-C-8,8.037675(25),,12.0107(8) +6-C-9,9.0310401(23),,12.0107(8) +6-C-10,10.0168531(4),,12.0107(8) +6-C-11,11.0114338(10),,12.0107(8) +6-C-12,12.0000000(0),98.93(8),12.0107(8) +6-C-13,13.0033548378(10),1.07(8),12.0107(8) +6-C-14,14.003241988(4),,12.0107(8) +6-C-15,15.0105993(9),,12.0107(8) +6-C-16,16.014701(4),,12.0107(8) +6-C-17,17.022584(19),,12.0107(8) +6-C-18,18.026760(30),,12.0107(8) +6-C-19,19.03525(12),,12.0107(8) +6-C-20,20.04032(22),,12.0107(8) +6-C-21,21.04934(54)#,,12.0107(8) +6-C-22,22.05645(97)#,,12.0107(8) +7-N-10,10.04262(43)#,,14.0067(2) +7-N-11,11.02680(19),,14.0067(2) +7-N-12,12.0186132(11),,14.0067(2) +7-N-13,13.00573858(29),,14.0067(2) +7-N-14,14.0030740052(9),99.632(7),14.0067(2) +7-N-15,15.0001088984(9),0.368(7),14.0067(2) +7-N-16,16.0061014(28),,14.0067(2) +7-N-17,17.008450(16),,14.0067(2) +7-N-18,18.014082(21),,14.0067(2) +7-N-19,19.017027(18),,14.0067(2) +7-N-20,20.023370(60),,14.0067(2) +7-N-21,21.02709(10),,14.0067(2) +7-N-22,22.03444(21),,14.0067(2) +7-N-23,23.04051(76)#,,14.0067(2) +7-N-24,24.05050(54)#,,14.0067(2) +8-O-12,12.034405(20),,15.9994(3) +8-O-13,13.024810(10),,15.9994(3) +8-O-14,14.00859529(8),,15.9994(3) +8-O-15,15.0030654(5),,15.9994(3) +8-O-16,15.9949146221(15),99.757(16),15.9994(3) +8-O-17,16.99913150(22),0.038(1),15.9994(3) +8-O-18,17.9991604(9),0.205(14),15.9994(3) +8-O-19,19.003579(3),,15.9994(3) +8-O-20,20.0040762(13),,15.9994(3) +8-O-21,21.008655(13),,15.9994(3) +8-O-22,22.009970(60),,15.9994(3) +8-O-23,23.01569(11),,15.9994(3) +8-O-24,24.02037(33),,15.9994(3) +8-O-25,25.02914(40)#,,15.9994(3) +8-O-26,26.03775(46)#,,15.9994(3) +9-F-14,14.03608(43)#,,18.9984032(5) +9-F-15,15.01801(14),,18.9984032(5) +9-F-16,16.011466(9),,18.9984032(5) +9-F-17,17.00209524(27),,18.9984032(5) +9-F-18,18.0009377(6),,18.9984032(5) +9-F-19,18.99840320(7),100,18.9984032(5) +9-F-20,19.99998132(9),,18.9984032(5) +9-F-21,20.9999489(19),,18.9984032(5) +9-F-22,22.002999(13),,18.9984032(5) +9-F-23,23.003570(90),,18.9984032(5) +9-F-24,24.008100(70),,18.9984032(5) +9-F-25,25.012090(80),,18.9984032(5) +9-F-26,26.01963(13),,18.9984032(5) +9-F-27,27.02689(45),,18.9984032(5) +9-F-28,28.03567(55)#,,18.9984032(5) +9-F-29,29.04326(62)#,,18.9984032(5) +10-Ne-16,16.025757(22),,20.1797(6) +10-Ne-17,17.017700(50),,20.1797(6) +10-Ne-18,18.0056971(16),,20.1797(6) +10-Ne-19,19.0018798(6),,20.1797(6) +10-Ne-20,19.9924401759(20),90.48(3),20.1797(6) +10-Ne-21,20.99384674(4),0.27(1),20.1797(6) +10-Ne-22,21.99138551(23),9.25(3),20.1797(6) +10-Ne-23,22.99446734(26),,20.1797(6) +10-Ne-24,23.993615(11),,20.1797(6) +10-Ne-25,24.997790(50),,20.1797(6) +10-Ne-26,26.000460(60),,20.1797(6) +10-Ne-27,27.00762(10),,20.1797(6) +10-Ne-28,28.01211(12),,20.1797(6) +10-Ne-29,29.01935(32),,20.1797(6) +10-Ne-30,30.02387(88),,20.1797(6) +10-Ne-31,31.03311(97)#,,20.1797(6) +10-Ne-32,32.03991(94)#,,20.1797(6) +11-Na-18,18.02718(43)#,,22.989770(2) +11-Na-19,19.013879(13),,22.989770(2) +11-Na-20,20.007348(7),,22.989770(2) +11-Na-21,20.9976551(8),,22.989770(2) +11-Na-22,21.9944368(5),,22.989770(2) +11-Na-23,22.98976967(23),100,22.989770(2) +11-Na-24,23.99096333(23),,22.989770(2) +11-Na-25,24.9899544(13),,22.989770(2) +11-Na-26,25.992590(15),,22.989770(2) +11-Na-27,26.994010(40),,22.989770(2) +11-Na-28,27.998890(80),,22.989770(2) +11-Na-29,29.00281(10),,22.989770(2) +11-Na-30,30.00923(10),,22.989770(2) +11-Na-31,31.01360(18),,22.989770(2) +11-Na-32,32.01965(52),,22.989770(2) +11-Na-33,33.02739(160),,22.989770(2) +11-Na-34,34.03490(113)#,,22.989770(2) +11-Na-35,35.04418(166)#,,22.989770(2) +12-Mg-20,20.018863(29),,24.3050(6) +12-Mg-21,21.011714(18),,24.3050(6) +12-Mg-22,21.9995741(15),,24.3050(6) +12-Mg-23,22.9941249(13),,24.3050(6) +12-Mg-24,23.98504190(20),78.99(4),24.3050(6) +12-Mg-25,24.98583702(20),10.00(1),24.3050(6) +12-Mg-26,25.98259304(21),11.01(3),24.3050(6) +12-Mg-27,26.98434074(21),,24.3050(6) +12-Mg-28,27.9838767(22),,24.3050(6) +12-Mg-29,28.988550(30),,24.3050(6) +12-Mg-30,29.990460(70),,24.3050(6) +12-Mg-31,30.996550(80),,24.3050(6) +12-Mg-32,31.99915(10),,24.3050(6) +12-Mg-33,33.00559(16),,24.3050(6) +12-Mg-34,34.00907(28),,24.3050(6) +12-Mg-35,35.01749(47)#,,24.3050(6) +12-Mg-36,36.02245(97)#,,24.3050(6) +12-Mg-37,37.03124(97)#,,24.3050(6) +13-Al-21,21.02804(32)#,,26.981538(2) +13-Al-22,22.01952(10)#,,26.981538(2) +13-Al-23,23.007265(27),,26.981538(2) +13-Al-24,23.999941(4),,26.981538(2) +13-Al-25,24.9904286(7),,26.981538(2) +13-Al-26,25.98689166(21),,26.981538(2) +13-Al-27,26.98153844(14),100,26.981538(2) +13-Al-28,27.98191018(15),,26.981538(2) +13-Al-29,28.9804448(13),,26.981538(2) +13-Al-30,29.982960(15),,26.981538(2) +13-Al-31,30.983946(22),,26.981538(2) +13-Al-32,31.988120(90),,26.981538(2) +13-Al-33,32.990870(70),,26.981538(2) +13-Al-34,33.99693(10),,26.981538(2) +13-Al-35,34.99994(15),,26.981538(2) +13-Al-36,36.00635(29),,26.981538(2) +13-Al-37,37.01031(58),,26.981538(2) +13-Al-38,38.01690(60)#,,26.981538(2) +13-Al-39,39.02190(64)#,,26.981538(2) +14-Si-22,22.03453(22)#,,28.0855(3) +14-Si-23,23.02552(21)#,,28.0855(3) +14-Si-24,24.011546(21),,28.0855(3) +14-Si-25,25.004107(11),,28.0855(3) +14-Si-26,25.992330(3),,28.0855(3) +14-Si-27,26.98670476(17),,28.0855(3) +14-Si-28,27.9769265327(20),92.2297(7),28.0855(3) +14-Si-29,28.97649472(3),4.6832(5),28.0855(3) +14-Si-30,29.97377022(5),3.0872(5),28.0855(3) +14-Si-31,30.97536327(7),,28.0855(3) +14-Si-32,31.9741481(23),,28.0855(3) +14-Si-33,32.978001(17),,28.0855(3) +14-Si-34,33.978576(15),,28.0855(3) +14-Si-35,34.984580(40),,28.0855(3) +14-Si-36,35.98669(11),,28.0855(3) +14-Si-37,36.99300(13),,28.0855(3) +14-Si-38,37.99598(29),,28.0855(3) +14-Si-39,39.00230(43)#,,28.0855(3) +14-Si-40,40.00580(54)#,,28.0855(3) +14-Si-41,41.01270(64)#,,28.0855(3) +14-Si-42,42.01610(75)#,,28.0855(3) +15-P-24,24.03435(54)#,,30.973761(2) +15-P-25,25.02026(21)#,,30.973761(2) +15-P-26,26.01178(21)#,,30.973761(2) +15-P-27,26.999190(40),,30.973761(2) +15-P-28,27.992312(4),,30.973761(2) +15-P-29,28.9818014(8),,30.973761(2) +15-P-30,29.9783138(4),,30.973761(2) +15-P-31,30.97376151(20),100,30.973761(2) +15-P-32,31.97390716(20),,30.973761(2) +15-P-33,32.9717253(12),,30.973761(2) +15-P-34,33.973636(5),,30.973761(2) +15-P-35,34.9733142(20),,30.973761(2) +15-P-36,35.978260(14),,30.973761(2) +15-P-37,36.979610(40),,30.973761(2) +15-P-38,37.98447(15),,30.973761(2) +15-P-39,38.98642(16),,30.973761(2) +15-P-40,39.99105(21),,30.973761(2) +15-P-41,40.99480(50),,30.973761(2) +15-P-42,42.00009(54)#,,30.973761(2) +15-P-43,43.00331(54)#,,30.973761(2) +15-P-44,44.00988(75)#,,30.973761(2) +15-P-45,45.01514(86)#,,30.973761(2) +15-P-46,46.02383(97)#,,30.973761(2) +16-S-26,26.02788(32)#,,32.065(5) +16-S-27,27.01880(22)#,,32.065(5) +16-S-28,28.00437(17),,32.065(5) +16-S-29,28.996610(50),,32.065(5) +16-S-30,29.984903(3),,32.065(5) +16-S-31,30.9795544(16),,32.065(5) +16-S-32,31.97207069(12),94.93(31),32.065(5) +16-S-33,32.97145850(12),0.76(2),32.065(5) +16-S-34,33.96786683(11),4.29(28),32.065(5) +16-S-35,34.96903214(10),,32.065(5) +16-S-36,35.96708088(25),0.02(1),32.065(5) +16-S-37,36.97112572(27),,32.065(5) +16-S-38,37.971163(8),,32.065(5) +16-S-39,38.975140(50),,32.065(5) +16-S-40,39.97547(25),,32.065(5) +16-S-41,40.98003(23),,32.065(5) +16-S-42,41.98149(35),,32.065(5) +16-S-43,42.98660(90),,32.065(5) +16-S-44,43.98832(54)#,,32.065(5) +16-S-45,44.99482(64)#,,32.065(5) +16-S-46,45.99957(75)#,,32.065(5) +16-S-47,47.00762(86)#,,32.065(5) +16-S-48,48.01299(97)#,,32.065(5) +16-S-49,49.02201(107)#,,32.065(5) +17-Cl-28,28.02851(54)#,,35.453(2) +17-Cl-29,29.01411(21)#,,35.453(2) +17-Cl-30,30.00477(21)#,,35.453(2) +17-Cl-31,30.992420(50),,35.453(2) +17-Cl-32,31.985689(7),,35.453(2) +17-Cl-33,32.9774518(6),,35.453(2) +17-Cl-34,33.97376197(13),,35.453(2) +17-Cl-35,34.96885271(4),75.78(4),35.453(2) +17-Cl-36,35.96830695(8),,35.453(2) +17-Cl-37,36.96590260(5),24.22(4),35.453(2) +17-Cl-38,37.96801055(12),,35.453(2) +17-Cl-39,38.9680077(19),,35.453(2) +17-Cl-40,39.970420(30),,35.453(2) +17-Cl-41,40.970650(70),,35.453(2) +17-Cl-42,41.97317(12),,35.453(2) +17-Cl-43,42.97420(17),,35.453(2) +17-Cl-44,43.97854(24),,35.453(2) +17-Cl-45,44.97970(70),,35.453(2) +17-Cl-46,45.98412(54)#,,35.453(2) +17-Cl-47,46.98795(64)#,,35.453(2) +17-Cl-48,47.99485(75)#,,35.453(2) +17-Cl-49,48.99989(86)#,,35.453(2) +17-Cl-50,50.00773(97)#,,35.453(2) +17-Cl-51,51.01353(107)#,,35.453(2) +18-Ar-30,30.02156(32)#,,39.948(1) +18-Ar-31,31.01213(22)#,,39.948(1) +18-Ar-32,31.997660(50),,39.948(1) +18-Ar-33,32.989930(30),,39.948(1) +18-Ar-34,33.980270(3),,39.948(1) +18-Ar-35,34.9752567(8),,39.948(1) +18-Ar-36,35.96754628(27),0.3365(30),39.948(1) +18-Ar-37,36.9667759(3),,39.948(1) +18-Ar-38,37.9627322(5),0.0632(5),39.948(1) +18-Ar-39,38.964313(5),,39.948(1) +18-Ar-40,39.962383123(3),99.6003(30),39.948(1) +18-Ar-41,40.9645008(7),,39.948(1) +18-Ar-42,41.963050(40),,39.948(1) +18-Ar-43,42.965670(80),,39.948(1) +18-Ar-44,43.965365(22),,39.948(1) +18-Ar-45,44.968090(60),,39.948(1) +18-Ar-46,45.968090(40),,39.948(1) +18-Ar-47,46.97219(11),,39.948(1) +18-Ar-48,47.97507(32)#,,39.948(1) +18-Ar-49,48.98218(54)#,,39.948(1) +18-Ar-50,49.98594(75)#,,39.948(1) +18-Ar-51,50.99324(75)#,,39.948(1) +18-Ar-52,51.99817(97)#,,39.948(1) +18-Ar-53,53.00623(107)#,,39.948(1) +19-K-32,32.02192(54)#,,39.0983(1) +19-K-33,33.00726(21)#,,39.0983(1) +19-K-34,33.99841(32)#,,39.0983(1) +19-K-35,34.988012(21),,39.0983(1) +19-K-36,35.981293(8),,39.0983(1) +19-K-37,36.97337691(29),,39.0983(1) +19-K-38,37.9690801(8),,39.0983(1) +19-K-39,38.9637069(3),93.2581(44),39.0983(1) +19-K-40,39.96399867(29),0.0117(1),39.0983(1) +19-K-41,40.96182597(28),6.7302(44),39.0983(1) +19-K-42,41.9624031(3),,39.0983(1) +19-K-43,42.960716(10),,39.0983(1) +19-K-44,43.961560(40),,39.0983(1) +19-K-45,44.960700(11),,39.0983(1) +19-K-46,45.961976(17),,39.0983(1) +19-K-47,46.961678(9),,39.0983(1) +19-K-48,47.965513(26),,39.0983(1) +19-K-49,48.967450(80),,39.0983(1) +19-K-50,49.97278(30),,39.0983(1) +19-K-51,50.97638(54)#,,39.0983(1) +19-K-52,51.98261(75)#,,39.0983(1) +19-K-53,52.98712(75)#,,39.0983(1) +19-K-54,53.99399(97)#,,39.0983(1) +19-K-55,54.99939(107)#,,39.0983(1) +20-Ca-34,34.01412(32)#,,40.078(4) +20-Ca-35,35.004770(70)#,,40.078(4) +20-Ca-36,35.993090(40),,40.078(4) +20-Ca-37,36.985872(24),,40.078(4) +20-Ca-38,37.976319(5),,40.078(4) +20-Ca-39,38.9707177(19),,40.078(4) +20-Ca-40,39.9625912(3),96.941(156),40.078(4) +20-Ca-41,40.9622783(4),,40.078(4) +20-Ca-42,41.9586183(4),0.647(23),40.078(4) +20-Ca-43,42.9587668(5),0.135(10),40.078(4) +20-Ca-44,43.9554811(9),2.086(110),40.078(4) +20-Ca-45,44.9561859(10),,40.078(4) +20-Ca-46,45.9536928(25),0.004(3),40.078(4) +20-Ca-47,46.9545465(25),,40.078(4) +20-Ca-48,47.952534(4),0.187(21),40.078(4) +20-Ca-49,48.955673(4),,40.078(4) +20-Ca-50,49.957518(10),,40.078(4) +20-Ca-51,50.96147(10),,40.078(4) +20-Ca-52,51.96510(50),,40.078(4) +20-Ca-53,52.97005(54)#,,40.078(4) +20-Ca-54,53.97468(75)#,,40.078(4) +20-Ca-55,54.98055(75)#,,40.078(4) +20-Ca-56,55.98579(97)#,,40.078(4) +20-Ca-57,56.99236(107)#,,40.078(4) +21-Sc-36,36.01492(54)#,,44.955910(8) +21-Sc-37,37.00305(32)#,,44.955910(8) +21-Sc-38,37.99470(32)#,,44.955910(8) +21-Sc-39,38.984790(26),,44.955910(8) +21-Sc-40,39.977964(4),,44.955910(8) +21-Sc-41,40.9692513(3),,44.955910(8) +21-Sc-42,41.9655168(4),,44.955910(8) +21-Sc-43,42.9611510(20),,44.955910(8) +21-Sc-44,43.9594030(19),,44.955910(8) +21-Sc-45,44.9559102(12),100,44.955910(8) +21-Sc-46,45.9551703(12),,44.955910(8) +21-Sc-47,46.9524080(22),,44.955910(8) +21-Sc-48,47.952235(6),,44.955910(8) +21-Sc-49,48.950024(4),,44.955910(8) +21-Sc-50,49.952187(17),,44.955910(8) +21-Sc-51,50.953603(22),,44.955910(8) +21-Sc-52,51.95665(25),,44.955910(8) +21-Sc-53,52.95924(32)#,,44.955910(8) +21-Sc-54,53.96300(50),,44.955910(8) +21-Sc-55,54.96743(110)#,,44.955910(8) +21-Sc-56,55.97266(75)#,,44.955910(8) +21-Sc-57,56.97704(75)#,,44.955910(8) +21-Sc-58,57.98307(86)#,,44.955910(8) +21-Sc-59,58.98804(97)#,,44.955910(8) +22-Ti-38,38.00977(27)#,,47.867(1) +22-Ti-39,39.00132(11)#,,47.867(1) +22-Ti-40,39.99050(17),,47.867(1) +22-Ti-41,40.983130(40)#,,47.867(1) +22-Ti-42,41.973032(6),,47.867(1) +22-Ti-43,42.968523(7),,47.867(1) +22-Ti-44,43.9596902(8),,47.867(1) +22-Ti-45,44.9581243(13),,47.867(1) +22-Ti-46,45.9526295(12),8.25(3),47.867(1) +22-Ti-47,46.9517638(10),7.44(2),47.867(1) +22-Ti-48,47.9479471(10),73.72(3),47.867(1) +22-Ti-49,48.9478708(10),5.41(2),47.867(1) +22-Ti-50,49.9447921(11),5.18(2),47.867(1) +22-Ti-51,50.9466160(14),,47.867(1) +22-Ti-52,51.946898(8),,47.867(1) +22-Ti-53,52.94973(11),,47.867(1) +22-Ti-54,53.95087(25),,47.867(1) +22-Ti-55,54.95512(26),,47.867(1) +22-Ti-56,55.95799(30),,47.867(1) +22-Ti-57,56.96290(100)#,,47.867(1) +22-Ti-58,57.96611(75)#,,47.867(1) +22-Ti-59,58.97196(75)#,,47.867(1) +22-Ti-60,59.97564(86)#,,47.867(1) +22-Ti-61,60.98202(97)#,,47.867(1) +23-V-40,40.01109(54)#,,50.9415(1) +23-V-41,40.99974(27)#,,50.9415(1) +23-V-42,41.99123(21)#,,50.9415(1) +23-V-43,42.98065(25)#,,50.9415(1) +23-V-44,43.974400(90)#,,50.9415(1) +23-V-45,44.965782(18),,50.9415(1) +23-V-46,45.9601995(16),,50.9415(1) +23-V-47,46.9549069(12),,50.9415(1) +23-V-48,47.9522545(28),,50.9415(1) +23-V-49,48.9485169(14),,50.9415(1) +23-V-50,49.9471628(14),0.250(4),50.9415(1) +23-V-51,50.9439637(14),99.750(4),50.9415(1) +23-V-52,51.9447797(14),,50.9415(1) +23-V-53,52.944343(4),,50.9415(1) +23-V-54,53.946444(16),,50.9415(1) +23-V-55,54.94724(11),,50.9415(1) +23-V-56,55.95036(26),,50.9415(1) +23-V-57,56.95236(27),,50.9415(1) +23-V-58,57.95665(28),,50.9415(1) +23-V-59,58.95930(35),,50.9415(1) +23-V-60,59.96450(60),,50.9415(1) +23-V-61,60.96741(75)#,,50.9415(1) +23-V-62,61.97314(75)#,,50.9415(1) +23-V-63,62.97675(97)#,,50.9415(1) +24-Cr-42,42.00643(32)#,,51.9961(6) +24-Cr-43,42.997710(90)#,,51.9961(6) +24-Cr-44,43.98547(14)#,,51.9961(6) +24-Cr-45,44.97916(11)#,,51.9961(6) +24-Cr-46,45.968362(22),,51.9961(6) +24-Cr-47,46.962907(15),,51.9961(6) +24-Cr-48,47.954036(8),,51.9961(6) +24-Cr-49,48.9513411(28),,51.9961(6) +24-Cr-50,49.9460496(14),4.345(13),51.9961(6) +24-Cr-51,50.9447718(14),,51.9961(6) +24-Cr-52,51.9405119(15),83.789(18),51.9961(6) +24-Cr-53,52.9406538(15),9.501(17),51.9961(6) +24-Cr-54,53.9388849(15),2.365(7),51.9961(6) +24-Cr-55,54.9408442(16),,51.9961(6) +24-Cr-56,55.940645(10),,51.9961(6) +24-Cr-57,56.94375(10),,51.9961(6) +24-Cr-58,57.94425(26),,51.9961(6) +24-Cr-59,58.94863(27),,51.9961(6) +24-Cr-60,59.94973(28),,51.9961(6) +24-Cr-61,60.95409(30),,51.9961(6) +24-Cr-62,61.95580(40),,51.9961(6) +24-Cr-63,62.96186(75)#,,51.9961(6) +24-Cr-64,63.96420(75)#,,51.9961(6) +24-Cr-65,64.97037(97)#,,51.9961(6) +25-Mn-44,44.00687(54)#,,54.938049(9) +25-Mn-45,44.99451(32)#,,54.938049(9) +25-Mn-46,45.98672(12)#,,54.938049(9) +25-Mn-47,46.97610(17)#,,54.938049(9) +25-Mn-48,47.968870(80)#,,54.938049(9) +25-Mn-49,48.959623(26),,54.938049(9) +25-Mn-50,49.9542440(15),,54.938049(9) +25-Mn-51,50.9482155(14),,54.938049(9) +25-Mn-52,51.9455701(25),,54.938049(9) +25-Mn-53,52.9412947(15),,54.938049(9) +25-Mn-54,53.9403632(18),,54.938049(9) +25-Mn-55,54.9380496(14),100,54.938049(9) +25-Mn-56,55.9389094(15),,54.938049(9) +25-Mn-57,56.938287(4),,54.938049(9) +25-Mn-58,57.939990(30),,54.938049(9) +25-Mn-59,58.940450(30),,54.938049(9) +25-Mn-60,59.94319(29),,54.938049(9) +25-Mn-61,60.94446(28),,54.938049(9) +25-Mn-62,61.94797(28),,54.938049(9) +25-Mn-63,62.94981(30),,54.938049(9) +25-Mn-64,63.95373(35),,54.938049(9) +25-Mn-65,64.95610(60),,54.938049(9) +25-Mn-66,65.96082(75)#,,54.938049(9) +25-Mn-67,66.96382(86)#,,54.938049(9) +26-Fe-45,45.01456(43)#,,55.845(2) +26-Fe-46,46.00081(38)#,,55.845(2) +26-Fe-47,46.99289(28)#,,55.845(2) +26-Fe-48,47.98056(11)#,,55.845(2) +26-Fe-49,48.97361(17)#,,55.845(2) +26-Fe-50,49.962990(60),,55.845(2) +26-Fe-51,50.956825(16),,55.845(2) +26-Fe-52,51.948117(11),,55.845(2) +26-Fe-53,52.9453123(23),,55.845(2) +26-Fe-54,53.9396148(14),5.845(35),55.845(2) +26-Fe-55,54.9382980(14),,55.845(2) +26-Fe-56,55.9349421(15),91.754(36),55.845(2) +26-Fe-57,56.9353987(15),2.119(10),55.845(2) +26-Fe-58,57.9332805(15),0.282(4),55.845(2) +26-Fe-59,58.9348805(15),,55.845(2) +26-Fe-60,59.934077(4),,55.845(2) +26-Fe-61,60.936749(22),,55.845(2) +26-Fe-62,61.936770(16),,55.845(2) +26-Fe-63,62.94012(20),,55.845(2) +26-Fe-64,63.94087(30),,55.845(2) +26-Fe-65,64.94494(30),,55.845(2) +26-Fe-66,65.94598(35),,55.845(2) +26-Fe-67,66.95000(50),,55.845(2) +26-Fe-68,67.95251(75)#,,55.845(2) +26-Fe-69,68.95770(86)#,,55.845(2) +27-Co-48,48.00176(43)#,,58.933200(9) +27-Co-49,48.98972(28)#,,58.933200(9) +27-Co-50,49.98154(18)#,,58.933200(9) +27-Co-51,50.97072(16)#,,58.933200(9) +27-Co-52,51.963590(70)#,,58.933200(9) +27-Co-53,52.954225(19),,58.933200(9) +27-Co-54,53.9484641(14),,58.933200(9) +27-Co-55,54.9420031(15),,58.933200(9) +27-Co-56,55.9398439(26),,58.933200(9) +27-Co-57,56.9362962(15),,58.933200(9) +27-Co-58,57.9357576(19),,58.933200(9) +27-Co-59,58.9332002(15),100,58.933200(9) +27-Co-60,59.9338222(15),,58.933200(9) +27-Co-61,60.9324794(17),,58.933200(9) +27-Co-62,61.934054(22),,58.933200(9) +27-Co-63,62.933615(22),,58.933200(9) +27-Co-64,63.935814(22),,58.933200(9) +27-Co-65,64.936485(14),,58.933200(9) +27-Co-66,65.93983(29),,58.933200(9) +27-Co-67,66.94061(30),,58.933200(9) +27-Co-68,67.94436(35),,58.933200(9) +27-Co-69,68.94520(40),,58.933200(9) +27-Co-70,69.94981(75)#,,58.933200(9) +27-Co-71,70.95173(86)#,,58.933200(9) +27-Co-72,71.95641(86)#,,58.933200(9) +28-Ni-50,49.99593(28)#,,58.6934(2) +28-Ni-51,50.98772(28)#,,58.6934(2) +28-Ni-52,51.975680(90)#,,58.6934(2) +28-Ni-53,52.96846(17)#,,58.6934(2) +28-Ni-54,53.957910(50),,58.6934(2) +28-Ni-55,54.951336(12),,58.6934(2) +28-Ni-56,55.942136(12),,58.6934(2) +28-Ni-57,56.939800(3),,58.6934(2) +28-Ni-58,57.9353479(15),68.0769(89),58.6934(2) +28-Ni-59,58.9343516(15),,58.6934(2) +28-Ni-60,59.9307906(15),26.2231(77),58.6934(2) +28-Ni-61,60.9310604(15),1.1399(6),58.6934(2) +28-Ni-62,61.9283488(15),3.6345(17),58.6934(2) +28-Ni-63,62.9296729(15),,58.6934(2) +28-Ni-64,63.9279696(16),0.9256(9),58.6934(2) +28-Ni-65,64.9300880(16),,58.6934(2) +28-Ni-66,65.929115(17),,58.6934(2) +28-Ni-67,66.931570(20),,58.6934(2) +28-Ni-68,67.931845(18),,58.6934(2) +28-Ni-69,68.93518(15),,58.6934(2) +28-Ni-70,69.93614(35),,58.6934(2) +28-Ni-71,70.94000(40),,58.6934(2) +28-Ni-72,71.94130(50),,58.6934(2) +28-Ni-73,72.94608(64)#,,58.6934(2) +28-Ni-74,73.94791(75)#,,58.6934(2) +28-Ni-75,74.95297(86)#,,58.6934(2) +28-Ni-76,75.95533(97)#,,58.6934(2) +28-Ni-77,76.96083(107)#,,58.6934(2) +28-Ni-78,77.96380(118)#,,58.6934(2) +29-Cu-52,51.99718(28)#,,63.546(3) +29-Cu-53,52.98555(28)#,,63.546(3) +29-Cu-54,53.97671(23)#,,63.546(3) +29-Cu-55,54.96605(32)#,,63.546(3) +29-Cu-56,55.95856(15)#,,63.546(3) +29-Cu-57,56.949216(17),,63.546(3) +29-Cu-58,57.9445407(27),,63.546(3) +29-Cu-59,58.9395041(18),,63.546(3) +29-Cu-60,59.9373681(27),,63.546(3) +29-Cu-61,60.9334622(19),,63.546(3) +29-Cu-62,61.932587(4),,63.546(3) +29-Cu-63,62.9296011(15),69.17(3),63.546(3) +29-Cu-64,63.9297679(15),,63.546(3) +29-Cu-65,64.9277937(19),30.83(3),63.546(3) +29-Cu-66,65.9288730(19),,63.546(3) +29-Cu-67,66.927750(9),,63.546(3) +29-Cu-68,67.929640(50),,63.546(3) +29-Cu-69,68.929425(9),,63.546(3) +29-Cu-70,69.932409(16),,63.546(3) +29-Cu-71,70.932620(40),,63.546(3) +29-Cu-72,71.93552(21)#,,63.546(3) +29-Cu-73,72.93649(32)#,,63.546(3) +29-Cu-74,73.94020(43)#,,63.546(3) +29-Cu-75,74.94170(54)#,,63.546(3) +29-Cu-76,75.94599(64)#,,63.546(3) +29-Cu-77,76.94795(75)#,,63.546(3) +29-Cu-78,77.95281(86)#,,63.546(3) +29-Cu-79,78.95528(97)#,,63.546(3) +29-Cu-80,79.96189(97)#,,63.546(3) +30-Zn-54,53.99295(43)#,,65.409(4) +30-Zn-55,54.98398(27)#,,65.409(4) +30-Zn-56,55.97238(28)#,,65.409(4) +30-Zn-57,56.96491(15)#,,65.409(4) +30-Zn-58,57.954600(50),,65.409(4) +30-Zn-59,58.949270(40),,65.409(4) +30-Zn-60,59.941832(11),,65.409(4) +30-Zn-61,60.939514(18),,65.409(4) +30-Zn-62,61.934334(11),,65.409(4) +30-Zn-63,62.9332156(23),,65.409(4) +30-Zn-64,63.9291466(18),48.63(60),65.409(4) +30-Zn-65,64.9292451(18),,65.409(4) +30-Zn-66,65.9260368(16),27.90(27),65.409(4) +30-Zn-67,66.9271309(17),4.10(13),65.409(4) +30-Zn-68,67.9248476(17),18.75(51),65.409(4) +30-Zn-69,68.9265535(18),,65.409(4) +30-Zn-70,69.925325(4),0.62(3),65.409(4) +30-Zn-71,70.927727(11),,65.409(4) +30-Zn-72,71.926861(7),,65.409(4) +30-Zn-73,72.929780(40),,65.409(4) +30-Zn-74,73.929460(50),,65.409(4) +30-Zn-75,74.932940(80),,65.409(4) +30-Zn-76,75.93339(13),,65.409(4) +30-Zn-77,76.93709(14),,65.409(4) +30-Zn-78,77.93857(17),,65.409(4) +30-Zn-79,78.94268(29)#,,65.409(4) +30-Zn-80,79.94441(18),,65.409(4) +30-Zn-81,80.95048(43)#,,65.409(4) +30-Zn-82,81.95484(43)#,,65.409(4) +31-Ga-56,55.99491(28)#,,69.723(1) +31-Ga-57,56.98293(28)#,,69.723(1) +31-Ga-58,57.97425(23)#,,69.723(1) +31-Ga-59,58.96337(18)#,,69.723(1) +31-Ga-60,59.95706(12)#,,69.723(1) +31-Ga-61,60.94917(21)#,,69.723(1) +31-Ga-62,61.944180(30),,69.723(1) +31-Ga-63,62.93914(11),,69.723(1) +31-Ga-64,63.936838(4),,69.723(1) +31-Ga-65,64.9327393(19),,69.723(1) +31-Ga-66,65.931592(4),,69.723(1) +31-Ga-67,66.9282049(19),,69.723(1) +31-Ga-68,67.9279835(22),,69.723(1) +31-Ga-69,68.925581(3),60.108(9),69.723(1) +31-Ga-70,69.926028(3),,69.723(1) +31-Ga-71,70.9247050(19),39.892(9),69.723(1) +31-Ga-72,71.9263694(22),,69.723(1) +31-Ga-73,72.925170(7),,69.723(1) +31-Ga-74,73.926940(80),,69.723(1) +31-Ga-75,74.926501(7),,69.723(1) +31-Ga-76,75.92893(10),,69.723(1) +31-Ga-77,76.929280(60),,69.723(1) +31-Ga-78,77.931660(90),,69.723(1) +31-Ga-79,78.93292(13),,69.723(1) +31-Ga-80,79.93659(13),,69.723(1) +31-Ga-81,80.93775(21),,69.723(1) +31-Ga-82,81.94316(32)#,,69.723(1) +31-Ga-83,82.94687(54)#,,69.723(1) +31-Ga-84,83.95234(64)#,,69.723(1) +32-Ge-58,57.99101(34)#,,72.64(1) +32-Ge-59,58.98175(30)#,,72.64(1) +32-Ge-60,59.97019(25)#,,72.64(1) +32-Ge-61,60.96379(32)#,,72.64(1) +32-Ge-62,61.95465(15)#,,72.64(1) +32-Ge-63,62.94964(21)#,,72.64(1) +32-Ge-64,63.94157(27),,72.64(1) +32-Ge-65,64.93944(11),,72.64(1) +32-Ge-66,65.933850(30),,72.64(1) +32-Ge-67,66.932738(5),,72.64(1) +32-Ge-68,67.928097(7),,72.64(1) +32-Ge-69,68.927972(3),,72.64(1) +32-Ge-70,69.9242504(19),20.84(87),72.64(1) +32-Ge-71,70.9249540(19),,72.64(1) +32-Ge-72,71.9220762(16),27.54(34),72.64(1) +32-Ge-73,72.9234594(16),7.73(5),72.64(1) +32-Ge-74,73.9211782(16),36.28(73),72.64(1) +32-Ge-75,74.9228595(16),,72.64(1) +32-Ge-76,75.9214027(16),7.61(38),72.64(1) +32-Ge-77,76.9235485(20),,72.64(1) +32-Ge-78,77.922853(4),,72.64(1) +32-Ge-79,78.92540(10),,72.64(1) +32-Ge-80,79.925445(25),,72.64(1) +32-Ge-81,80.92882(13),,72.64(1) +32-Ge-82,81.92955(26),,72.64(1) +32-Ge-83,82.93451(32)#,,72.64(1) +32-Ge-84,83.93731(43)#,,72.64(1) +32-Ge-85,84.94269(54)#,,72.64(1) +32-Ge-86,85.94627(64)#,,72.64(1) +33-As-60,59.99313(64)#,,74.92160(2) +33-As-61,60.98062(64)#,,74.92160(2) +33-As-62,61.97320(32)#,,74.92160(2) +33-As-63,62.96369(54)#,,74.92160(2) +33-As-64,63.95757(38)#,,74.92160(2) +33-As-65,64.94948(42)#,,74.92160(2) +33-As-66,65.94437(22)#,,74.92160(2) +33-As-67,66.93919(11),,74.92160(2) +33-As-68,67.93679(11),,74.92160(2) +33-As-69,68.932280(30),,74.92160(2) +33-As-70,69.930930(50),,74.92160(2) +33-As-71,70.927115(5),,74.92160(2) +33-As-72,71.926753(5),,74.92160(2) +33-As-73,72.923825(4),,74.92160(2) +33-As-74,73.9239291(24),,74.92160(2) +33-As-75,74.9215964(18),100,74.92160(2) +33-As-76,75.9223939(18),,74.92160(2) +33-As-77,76.9206477(23),,74.92160(2) +33-As-78,77.921829(11),,74.92160(2) +33-As-79,78.920948(6),,74.92160(2) +33-As-80,79.922578(23),,74.92160(2) +33-As-81,80.922133(6),,74.92160(2) +33-As-82,81.92450(21),,74.92160(2) +33-As-83,82.92498(24),,74.92160(2) +33-As-84,83.92906(32)#,,74.92160(2) +33-As-85,84.93181(32)#,,74.92160(2) +33-As-86,85.93623(43)#,,74.92160(2) +33-As-87,86.93958(54)#,,74.92160(2) +33-As-88,87.94456(64)#,,74.92160(2) +33-As-89,88.94923(64)#,,74.92160(2) +34-Se-65,64.96466(64)#,,78.96(3) +34-Se-66,65.95521(32)#,,78.96(3) +34-Se-67,66.95009(21)#,,78.96(3) +34-Se-68,67.94187(32)#,,78.96(3) +34-Se-69,68.939560(40),,78.96(3) +34-Se-70,69.93350(22)#,,78.96(3) +34-Se-71,70.93227(22)#,,78.96(3) +34-Se-72,71.927112(13),,78.96(3) +34-Se-73,72.926767(12),,78.96(3) +34-Se-74,73.9224766(16),0.89(4),78.96(3) +34-Se-75,74.9225236(16),,78.96(3) +34-Se-76,75.9192141(16),9.37(29),78.96(3) +34-Se-77,76.9199146(16),7.63(16),78.96(3) +34-Se-78,77.9173095(16),23.77(28),78.96(3) +34-Se-79,78.9184998(16),,78.96(3) +34-Se-80,79.9165218(20),49.61(41),78.96(3) +34-Se-81,80.9179929(21),,78.96(3) +34-Se-82,81.9167000(22),8.73(22),78.96(3) +34-Se-83,82.919119(4),,78.96(3) +34-Se-84,83.918465(16),,78.96(3) +34-Se-85,84.922240(30),,78.96(3) +34-Se-86,85.924271(17),,78.96(3) +34-Se-87,86.928520(40),,78.96(3) +34-Se-88,87.931420(50),,78.96(3) +34-Se-89,88.93602(32)#,,78.96(3) +34-Se-90,89.93942(43)#,,78.96(3) +34-Se-91,90.94537(54)#,,78.96(3) +34-Se-92,91.94933(64)#,,78.96(3) +35-Br-67,66.96479(54)#,,79.904(1) +35-Br-68,67.95825(58)#,,79.904(1) +35-Br-69,68.95018(34)#,,79.904(1) +35-Br-70,69.94462(39)#,,79.904(1) +35-Br-71,70.93925(32)#,,79.904(1) +35-Br-72,71.93650(28),,79.904(1) +35-Br-73,72.93179(14),,79.904(1) +35-Br-74,73.929891(16),,79.904(1) +35-Br-75,74.925776(15),,79.904(1) +35-Br-76,75.924542(10),,79.904(1) +35-Br-77,76.921380(3),,79.904(1) +35-Br-78,77.921146(4),,79.904(1) +35-Br-79,78.9183376(20),50.69(7),79.904(1) +35-Br-80,79.9185300(20),,79.904(1) +35-Br-81,80.916291(3),49.31(7),79.904(1) +35-Br-82,81.916805(3),,79.904(1) +35-Br-83,82.915180(5),,79.904(1) +35-Br-84,83.916504(27),,79.904(1) +35-Br-85,84.915608(21),,79.904(1) +35-Br-86,85.918797(12),,79.904(1) +35-Br-87,86.920711(19),,79.904(1) +35-Br-88,87.924070(40),,79.904(1) +35-Br-89,88.926390(60),,79.904(1) +35-Br-90,89.930630(80),,79.904(1) +35-Br-91,90.933970(80),,79.904(1) +35-Br-92,91.939260(50),,79.904(1) +35-Br-93,92.94310(32)#,,79.904(1) +35-Br-94,93.94868(43)#,,79.904(1) +36-Kr-69,68.96532(54)#,,83.798(2) +36-Kr-70,69.95601(43)#,,83.798(2) +36-Kr-71,70.95051(32)#,,83.798(2) +36-Kr-72,71.94191(29),,83.798(2) +36-Kr-73,72.93893(15),,83.798(2) +36-Kr-74,73.933260(60),,83.798(2) +36-Kr-75,74.931034(17),,83.798(2) +36-Kr-76,75.925948(11),,83.798(2) +36-Kr-77,76.924668(9),,83.798(2) +36-Kr-78,77.920386(7),0.35(1),83.798(2) +36-Kr-79,78.920083(4),,83.798(2) +36-Kr-80,79.916378(4),2.28(6),83.798(2) +36-Kr-81,80.916592(3),,83.798(2) +36-Kr-82,81.9134846(28),11.58(14),83.798(2) +36-Kr-83,82.914136(3),11.49(6),83.798(2) +36-Kr-84,83.911507(3),57.00(4),83.798(2) +36-Kr-85,84.912527(3),,83.798(2) +36-Kr-86,85.9106103(12),17.30(22),83.798(2) +36-Kr-87,86.9133543(14),,83.798(2) +36-Kr-88,87.914447(14),,83.798(2) +36-Kr-89,88.917630(60),,83.798(2) +36-Kr-90,89.919524(20),,83.798(2) +36-Kr-91,90.923440(60),,83.798(2) +36-Kr-92,91.926153(13),,83.798(2) +36-Kr-93,92.93127(11),,83.798(2) +36-Kr-94,93.93436(32)#,,83.798(2) +36-Kr-95,94.93984(43)#,,83.798(2) +36-Kr-96,95.94307(54)#,,83.798(2) +36-Kr-97,96.94856(54)#,,83.798(2) +37-Rb-71,70.96532(54)#,,85.4678(3) +37-Rb-72,71.95908(54)#,,85.4678(3) +37-Rb-73,72.95037(52)#,,85.4678(3) +37-Rb-74,73.94447(77),,85.4678(3) +37-Rb-75,74.938569(8),,85.4678(3) +37-Rb-76,75.935071(8),,85.4678(3) +37-Rb-77,76.930407(8),,85.4678(3) +37-Rb-78,77.928141(8),,85.4678(3) +37-Rb-79,78.923997(7),,85.4678(3) +37-Rb-80,79.922519(8),,85.4678(3) +37-Rb-81,80.918994(7),,85.4678(3) +37-Rb-82,81.918208(8),,85.4678(3) +37-Rb-83,82.915112(7),,85.4678(3) +37-Rb-84,83.914385(3),,85.4678(3) +37-Rb-85,84.9117893(25),72.17(2),85.4678(3) +37-Rb-86,85.9111671(25),,85.4678(3) +37-Rb-87,86.9091835(27),27.83(2),85.4678(3) +37-Rb-88,87.911319(5),,85.4678(3) +37-Rb-89,88.912280(6),,85.4678(3) +37-Rb-90,89.914809(9),,85.4678(3) +37-Rb-91,90.916534(9),,85.4678(3) +37-Rb-92,91.919725(7),,85.4678(3) +37-Rb-93,92.922033(8),,85.4678(3) +37-Rb-94,93.926407(9),,85.4678(3) +37-Rb-95,94.929319(21),,85.4678(3) +37-Rb-96,95.934284(27),,85.4678(3) +37-Rb-97,96.937340(30),,85.4678(3) +37-Rb-98,97.941700(40),,85.4678(3) +37-Rb-99,98.94542(16),,85.4678(3) +37-Rb-100,99.94987(32)#,,85.4678(3) +37-Rb-101,100.95320(18),,85.4678(3) +37-Rb-102,101.95921(54)#,,85.4678(3) +38-Sr-73,72.96597(64)#,,87.62(1) +38-Sr-74,73.95631(54)#,,87.62(1) +38-Sr-75,74.94992(32)#,,87.62(1) +38-Sr-76,75.94161(32)#,,87.62(1) +38-Sr-77,76.93776(16),,87.62(1) +38-Sr-78,77.932179(8),,87.62(1) +38-Sr-79,78.929707(9),,87.62(1) +38-Sr-80,79.924525(8),,87.62(1) +38-Sr-81,80.923213(8),,87.62(1) +38-Sr-82,81.918401(6),,87.62(1) +38-Sr-83,82.917555(9),,87.62(1) +38-Sr-84,83.913425(4),0.56(1),87.62(1) +38-Sr-85,84.912933(4),,87.62(1) +38-Sr-86,85.9092624(24),9.86(1),87.62(1) +38-Sr-87,86.9088793(24),7.00(1),87.62(1) +38-Sr-88,87.9056143(24),82.58(1),87.62(1) +38-Sr-89,88.9074529(24),,87.62(1) +38-Sr-90,89.9077376(29),,87.62(1) +38-Sr-91,90.910210(6),,87.62(1) +38-Sr-92,91.911030(7),,87.62(1) +38-Sr-93,92.914022(8),,87.62(1) +38-Sr-94,93.915360(8),,87.62(1) +38-Sr-95,94.919358(8),,87.62(1) +38-Sr-96,95.921680(26),,87.62(1) +38-Sr-97,96.926149(20),,87.62(1) +38-Sr-98,97.928471(27),,87.62(1) +38-Sr-99,98.93332(15),,87.62(1) +38-Sr-100,99.93535(14),,87.62(1) +38-Sr-101,100.94052(13),,87.62(1) +38-Sr-102,101.94302(12),,87.62(1) +38-Sr-103,102.94895(54)#,,87.62(1) +38-Sr-104,103.95233(75)#,,87.62(1) +39-Y-77,76.94962(32)#,,88.90585(2) +39-Y-78,77.94350(43)#,,88.90585(2) +39-Y-79,78.93735(48),,88.90585(2) +39-Y-80,79.93434(43)#,,88.90585(2) +39-Y-81,80.929130(70),,88.90585(2) +39-Y-82,81.92679(11),,88.90585(2) +39-Y-83,82.922350(50),,88.90585(2) +39-Y-84,83.92039(10),,88.90585(2) +39-Y-85,84.916427(27),,88.90585(2) +39-Y-86,85.914888(15),,88.90585(2) +39-Y-87,86.9108778(28),,88.90585(2) +39-Y-88,87.9095034(29),,88.90585(2) +39-Y-89,88.9058479(25),100,88.90585(2) +39-Y-90,89.9071514(25),,88.90585(2) +39-Y-91,90.907303(3),,88.90585(2) +39-Y-92,91.908947(10),,88.90585(2) +39-Y-93,92.909582(11),,88.90585(2) +39-Y-94,93.911594(8),,88.90585(2) +39-Y-95,94.912824(8),,88.90585(2) +39-Y-96,95.915898(23),,88.90585(2) +39-Y-97,96.918131(13),,88.90585(2) +39-Y-98,97.922220(26),,88.90585(2) +39-Y-99,98.924635(26),,88.90585(2) +39-Y-100,99.927760(80),,88.90585(2) +39-Y-101,100.93031(10),,88.90585(2) +39-Y-102,101.933560(90),,88.90585(2) +39-Y-103,102.93694(32)#,,88.90585(2) +39-Y-104,103.94145(43)#,,88.90585(2) +39-Y-105,104.94509(54)#,,88.90585(2) +39-Y-106,105.95022(75)#,,88.90585(2) +40-Zr-79,78.94916(43)#,,91.224(2) +40-Zr-80,79.94055(32)#,,91.224(2) +40-Zr-81,80.93682(32),,91.224(2) +40-Zr-82,81.93109(55),,91.224(2) +40-Zr-83,82.92865(10),,91.224(2) +40-Zr-84,83.92325(21)#,,91.224(2) +40-Zr-85,84.92147(11),,91.224(2) +40-Zr-86,85.916470(30),,91.224(2) +40-Zr-87,86.914817(9),,91.224(2) +40-Zr-88,87.910226(11),,91.224(2) +40-Zr-89,88.908889(4),,91.224(2) +40-Zr-90,89.9047037(23),51.45(40),91.224(2) +40-Zr-91,90.9056450(23),11.22(5),91.224(2) +40-Zr-92,91.9050401(23),17.15(8),91.224(2) +40-Zr-93,92.9064756(23),,91.224(2) +40-Zr-94,93.9063158(25),17.38(28),91.224(2) +40-Zr-95,94.9080427(25),,91.224(2) +40-Zr-96,95.908276(3),2.80(9),91.224(2) +40-Zr-97,96.910951(3),,91.224(2) +40-Zr-98,97.912746(21),,91.224(2) +40-Zr-99,98.916511(21),,91.224(2) +40-Zr-100,99.917760(40),,91.224(2) +40-Zr-101,100.921140(30),,91.224(2) +40-Zr-102,101.922980(50),,91.224(2) +40-Zr-103,102.92660(12),,91.224(2) +40-Zr-104,103.92878(43)#,,91.224(2) +40-Zr-105,104.93305(43)#,,91.224(2) +40-Zr-106,105.93591(54)#,,91.224(2) +40-Zr-107,106.94086(64)#,,91.224(2) +40-Zr-108,107.94428(75)#,,91.224(2) +41-Nb-81,80.94905(43)#,,92.90638(2) +41-Nb-82,81.94313(32)#,,92.90638(2) +41-Nb-83,82.93670(34),,92.90638(2) +41-Nb-84,83.93357(32)#,,92.90638(2) +41-Nb-85,84.92791(24),,92.90638(2) +41-Nb-86,85.925040(90),,92.90638(2) +41-Nb-87,86.920360(70),,92.90638(2) +41-Nb-88,87.91796(22)#,,92.90638(2) +41-Nb-89,88.913500(40),,92.90638(2) +41-Nb-90,89.911264(5),,92.90638(2) +41-Nb-91,90.906991(3),,92.90638(2) +41-Nb-92,91.9071932(29),,92.90638(2) +41-Nb-93,92.9063775(24),100,92.90638(2) +41-Nb-94,93.9072835(24),,92.90638(2) +41-Nb-95,94.9068352(20),,92.90638(2) +41-Nb-96,95.908100(4),,92.90638(2) +41-Nb-97,96.9080971(28),,92.90638(2) +41-Nb-98,97.910331(6),,92.90638(2) +41-Nb-99,98.911618(14),,92.90638(2) +41-Nb-100,99.914181(28),,92.90638(2) +41-Nb-101,100.915252(20),,92.90638(2) +41-Nb-102,101.918040(40),,92.90638(2) +41-Nb-103,102.919140(70),,92.90638(2) +41-Nb-104,103.92246(12),,92.90638(2) +41-Nb-105,104.92393(11),,92.90638(2) +41-Nb-106,105.92819(32)#,,92.90638(2) +41-Nb-107,106.93031(43)#,,92.90638(2) +41-Nb-108,107.93501(54)#,,92.90638(2) +41-Nb-109,108.93763(54)#,,92.90638(2) +41-Nb-110,109.94268(64)#,,92.90638(2) +42-Mo-83,82.94874(54)#,,95.94(2) +42-Mo-84,83.94009(43)#,,95.94(2) +42-Mo-85,84.93659(43)#,,95.94(2) +42-Mo-86,85.93070(47),,95.94(2) +42-Mo-87,86.92733(24),,95.94(2) +42-Mo-88,87.921953(22),,95.94(2) +42-Mo-89,88.919481(17),,95.94(2) +42-Mo-90,89.913936(7),,95.94(2) +42-Mo-91,90.911751(12),,95.94(2) +42-Mo-92,91.906810(4),14.84(35),95.94(2) +42-Mo-93,92.906812(4),,95.94(2) +42-Mo-94,93.9050876(20),9.25(12),95.94(2) +42-Mo-95,94.9058415(20),15.92(13),95.94(2) +42-Mo-96,95.9046789(20),16.68(2),95.94(2) +42-Mo-97,96.9060210(20),9.55(8),95.94(2) +42-Mo-98,97.9054078(20),24.13(31),95.94(2) +42-Mo-99,98.9077116(20),,95.94(2) +42-Mo-100,99.907477(6),9.63(23),95.94(2) +42-Mo-101,100.910347(6),,95.94(2) +42-Mo-102,101.910297(22),,95.94(2) +42-Mo-103,102.913200(70),,95.94(2) +42-Mo-104,103.913760(70),,95.94(2) +42-Mo-105,104.916970(80),,95.94(2) +42-Mo-106,105.918134(23),,95.94(2) +42-Mo-107,106.92169(17),,95.94(2) +42-Mo-108,107.92358(21)#,,95.94(2) +42-Mo-109,108.92781(32)#,,95.94(2) +42-Mo-110,109.92973(43)#,,95.94(2) +42-Mo-111,110.93451(54)#,,95.94(2) +42-Mo-112,111.93684(64)#,,95.94(2) +42-Mo-113,112.94203(64)#,,95.94(2) +43-Tc-85,84.94894(54)#,,[98] +43-Tc-86,85.94288(32)#,,[98] +43-Tc-87,86.93653(32)#,,[98] +43-Tc-88,87.93283(32)#,,[98] +43-Tc-89,88.92754(23),,[98] +43-Tc-90,89.92356(26),,[98] +43-Tc-91,90.91843(22),,[98] +43-Tc-92,91.915260(28),,[98] +43-Tc-93,92.910248(4),,[98] +43-Tc-94,93.909656(5),,[98] +43-Tc-95,94.907656(6),,[98] +43-Tc-96,95.907871(6),,[98] +43-Tc-97,96.906365(5),,[98] +43-Tc-98,97.907216(4),,[98] +43-Tc-99,98.9062546(21),,[98] +43-Tc-100,99.9076576(23),,[98] +43-Tc-101,100.907314(26),,[98] +43-Tc-102,101.909213(10),,[98] +43-Tc-103,102.909179(11),,[98] +43-Tc-104,103.911440(50),,[98] +43-Tc-105,104.911660(60),,[98] +43-Tc-106,105.914355(15),,[98] +43-Tc-107,106.91508(16),,[98] +43-Tc-108,107.91848(14),,[98] +43-Tc-109,108.91963(23)#,,[98] +43-Tc-110,109.92339(43)#,,[98] +43-Tc-111,110.92505(43)#,,[98] +43-Tc-112,111.92924(54)#,,[98] +43-Tc-113,112.93133(64)#,,[98] +43-Tc-114,113.93588(64)#,,[98] +43-Tc-115,114.93828(75)#,,[98] +44-Ru-87,86.94918(64)#,,101.07(2) +44-Ru-88,87.94042(54)#,,101.07(2) +44-Ru-89,88.93611(54)#,,101.07(2) +44-Ru-90,89.92978(43)#,,101.07(2) +44-Ru-91,90.92638(54),,101.07(2) +44-Ru-92,91.92012(32)#,,101.07(2) +44-Ru-93,92.917050(90),,101.07(2) +44-Ru-94,93.911360(14),,101.07(2) +44-Ru-95,94.910413(13),,101.07(2) +44-Ru-96,95.907598(8),5.54(14),101.07(2) +44-Ru-97,96.907555(9),,101.07(2) +44-Ru-98,97.905287(7),1.87(3),101.07(2) +44-Ru-99,98.9059393(21),12.76(14),101.07(2) +44-Ru-100,99.9042197(22),12.60(7),101.07(2) +44-Ru-101,100.9055822(22),17.06(2),101.07(2) +44-Ru-102,101.9043495(22),31.55(14),101.07(2) +44-Ru-103,102.9063237(22),,101.07(2) +44-Ru-104,103.905430(4),18.62(27),101.07(2) +44-Ru-105,104.907750(4),,101.07(2) +44-Ru-106,105.907327(8),,101.07(2) +44-Ru-107,106.90991(13),,101.07(2) +44-Ru-108,107.91019(13),,101.07(2) +44-Ru-109,108.913200(70),,101.07(2) +44-Ru-110,109.91397(25),,101.07(2) +44-Ru-111,110.91756(32)#,,101.07(2) +44-Ru-112,111.91855(58)#,,101.07(2) +44-Ru-113,112.92254(54)#,,101.07(2) +44-Ru-114,113.92400(39)#,,101.07(2) +44-Ru-115,114.92831(64)#,,101.07(2) +44-Ru-116,115.93016(75)#,,101.07(2) +44-Ru-117,116.93479(86)#,,101.07(2) +44-Ru-118,117.93703(97)#,,101.07(2) +45-Rh-89,88.94938(54)#,,102.90550(2) +45-Rh-90,89.94287(54)#,,102.90550(2) +45-Rh-91,90.93655(43)#,,102.90550(2) +45-Rh-92,91.93198(43)#,,102.90550(2) +45-Rh-93,92.92574(43)#,,102.90550(2) +45-Rh-94,93.92170(48)#,,102.90550(2) +45-Rh-95,94.91590(16),,102.90550(2) +45-Rh-96,95.914518(14),,102.90550(2) +45-Rh-97,96.911340(40),,102.90550(2) +45-Rh-98,97.910716(13),,102.90550(2) +45-Rh-99,98.908132(8),,102.90550(2) +45-Rh-100,99.908117(22),,102.90550(2) +45-Rh-101,100.906164(19),,102.90550(2) +45-Rh-102,101.906843(5),,102.90550(2) +45-Rh-103,102.905504(3),100,102.90550(2) +45-Rh-104,103.906655(3),,102.90550(2) +45-Rh-105,104.905692(5),,102.90550(2) +45-Rh-106,105.907285(8),,102.90550(2) +45-Rh-107,106.906751(13),,102.90550(2) +45-Rh-108,107.90873(11),,102.90550(2) +45-Rh-109,108.908736(13),,102.90550(2) +45-Rh-110,109.91095(24),,102.90550(2) +45-Rh-111,110.91166(22)#,,102.90550(2) +45-Rh-112,111.91461(54)#,,102.90550(2) +45-Rh-113,112.91542(43)#,,102.90550(2) +45-Rh-114,113.91885(32)#,,102.90550(2) +45-Rh-115,114.92012(54),,102.90550(2) +45-Rh-116,115.92371(54)#,,102.90550(2) +45-Rh-117,116.92535(64)#,,102.90550(2) +45-Rh-118,117.92943(75)#,,102.90550(2) +45-Rh-119,118.93136(86)#,,102.90550(2) +45-Rh-120,119.93578(86)#,,102.90550(2) +45-Rh-121,120.93808(97)#,,102.90550(2) +46-Pd-91,90.94948(64)#,,106.42(1) +46-Pd-92,91.94042(54)#,,106.42(1) +46-Pd-93,92.93591(43)#,,106.42(1) +46-Pd-94,93.92877(43)#,,106.42(1) +46-Pd-95,94.92469(43)#,,106.42(1) +46-Pd-96,95.91822(16),,106.42(1) +46-Pd-97,96.91648(32),,106.42(1) +46-Pd-98,97.912721(23),,106.42(1) +46-Pd-99,98.911768(16),,106.42(1) +46-Pd-100,99.908505(12),,106.42(1) +46-Pd-101,100.908289(19),,106.42(1) +46-Pd-102,101.905608(3),1.02(1),106.42(1) +46-Pd-103,102.906087(3),,106.42(1) +46-Pd-104,103.904035(5),11.14(8),106.42(1) +46-Pd-105,104.905084(5),22.33(8),106.42(1) +46-Pd-106,105.903483(5),27.33(3),106.42(1) +46-Pd-107,106.905128(7),,106.42(1) +46-Pd-108,107.903894(4),26.46(9),106.42(1) +46-Pd-109,108.905954(4),,106.42(1) +46-Pd-110,109.905152(12),11.72(9),106.42(1) +46-Pd-111,110.907640(40),,106.42(1) +46-Pd-112,111.907313(19),,106.42(1) +46-Pd-113,112.910150(40),,106.42(1) +46-Pd-114,113.910365(26),,106.42(1) +46-Pd-115,114.913680(70),,106.42(1) +46-Pd-116,115.914160(60),,106.42(1) +46-Pd-117,116.91784(32)#,,106.42(1) +46-Pd-118,117.91898(23),,106.42(1) +46-Pd-119,118.92268(32)#,,106.42(1) +46-Pd-120,119.92403(43)#,,106.42(1) +46-Pd-121,120.92818(54)#,,106.42(1) +46-Pd-122,121.92980(54)#,,106.42(1) +46-Pd-123,122.93426(64)#,,106.42(1) +47-Ag-94,93.94278(54)#,,107.8682(2) +47-Ag-95,94.93548(43)#,,107.8682(2) +47-Ag-96,95.93068(43)#,,107.8682(2) +47-Ag-97,96.92400(43)#,,107.8682(2) +47-Ag-98,97.92176(16),,107.8682(2) +47-Ag-99,98.91760(16),,107.8682(2) +47-Ag-100,99.916070(80),,107.8682(2) +47-Ag-101,100.91280(11),,107.8682(2) +47-Ag-102,101.912000(80),,107.8682(2) +47-Ag-103,102.908972(18),,107.8682(2) +47-Ag-104,103.908628(7),,107.8682(2) +47-Ag-105,104.906528(12),,107.8682(2) +47-Ag-106,105.906666(6),,107.8682(2) +47-Ag-107,106.905093(6),51.839(8),107.8682(2) +47-Ag-108,107.905954(6),,107.8682(2) +47-Ag-109,108.904756(3),48.161(8),107.8682(2) +47-Ag-110,109.906110(3),,107.8682(2) +47-Ag-111,110.905295(4),,107.8682(2) +47-Ag-112,111.907004(18),,107.8682(2) +47-Ag-113,112.906566(18),,107.8682(2) +47-Ag-114,113.908808(28),,107.8682(2) +47-Ag-115,114.908760(40),,107.8682(2) +47-Ag-116,115.911360(50),,107.8682(2) +47-Ag-117,116.911680(50),,107.8682(2) +47-Ag-118,117.914580(70),,107.8682(2) +47-Ag-119,118.91567(10),,107.8682(2) +47-Ag-120,119.918790(80),,107.8682(2) +47-Ag-121,120.91985(16),,107.8682(2) +47-Ag-122,121.92332(22)#,,107.8682(2) +47-Ag-123,122.92490(32)#,,107.8682(2) +47-Ag-124,123.92853(43)#,,107.8682(2) +47-Ag-125,124.93054(43)#,,107.8682(2) +47-Ag-126,125.93450(43)#,,107.8682(2) +47-Ag-127,126.93688(54)#,,107.8682(2) +48-Cd-96,95.93977(54)#,,112.411(8) +48-Cd-97,96.93494(43)#,,112.411(8) +48-Cd-98,97.92758(22)#,,112.411(8) +48-Cd-99,98.92501(22)#,,112.411(8) +48-Cd-100,99.92023(10),,112.411(8) +48-Cd-101,100.91868(16),,112.411(8) +48-Cd-102,101.914780(80),,112.411(8) +48-Cd-103,102.913419(17),,112.411(8) +48-Cd-104,103.909848(10),,112.411(8) +48-Cd-105,104.909468(12),,112.411(8) +48-Cd-106,105.906458(6),1.25(6),112.411(8) +48-Cd-107,106.906614(7),,112.411(8) +48-Cd-108,107.904183(6),0.89(3),112.411(8) +48-Cd-109,108.904986(4),,112.411(8) +48-Cd-110,109.903006(3),12.49(18),112.411(8) +48-Cd-111,110.904182(3),12.80(12),112.411(8) +48-Cd-112,111.9027572(30),24.13(21),112.411(8) +48-Cd-113,112.9044009(30),12.22(12),112.411(8) +48-Cd-114,113.9033581(30),28.73(42),112.411(8) +48-Cd-115,114.905431(3),,112.411(8) +48-Cd-116,115.904755(3),7.49(18),112.411(8) +48-Cd-117,116.907218(4),,112.411(8) +48-Cd-118,117.906914(22),,112.411(8) +48-Cd-119,118.909920(90),,112.411(8) +48-Cd-120,119.909851(20),,112.411(8) +48-Cd-121,120.912980(90),,112.411(8) +48-Cd-122,121.91350(22)#,,112.411(8) +48-Cd-123,122.917000(40),,112.411(8) +48-Cd-124,123.917650(70),,112.411(8) +48-Cd-125,124.921250(70),,112.411(8) +48-Cd-126,125.922350(60),,112.411(8) +48-Cd-127,126.926430(80),,112.411(8) +48-Cd-128,127.92776(32),,112.411(8) +48-Cd-129,128.93226(43)#,,112.411(8) +48-Cd-130,129.93398(43)#,,112.411(8) +49-In-98,97.94224(54)#,,114.818(3) +49-In-99,98.93461(54)#,,114.818(3) +49-In-100,99.93115(41),,114.818(3) +49-In-101,100.92656(32)#,,114.818(3) +49-In-102,101.92471(41),,114.818(3) +49-In-103,102.919914(27),,114.818(3) +49-In-104,103.91834(15),,114.818(3) +49-In-105,104.914673(19),,114.818(3) +49-In-106,105.913461(15),,114.818(3) +49-In-107,106.910292(14),,114.818(3) +49-In-108,107.909720(40),,114.818(3) +49-In-109,108.907154(6),,114.818(3) +49-In-110,109.907169(13),,114.818(3) +49-In-111,110.905111(6),,114.818(3) +49-In-112,111.905533(6),,114.818(3) +49-In-113,112.904061(4),4.29(5),114.818(3) +49-In-114,113.904917(3),,114.818(3) +49-In-115,114.903878(5),95.71(5),114.818(3) +49-In-116,115.905260(5),,114.818(3) +49-In-117,116.904516(6),,114.818(3) +49-In-118,117.906355(9),,114.818(3) +49-In-119,118.905846(8),,114.818(3) +49-In-120,119.907960(40),,114.818(3) +49-In-121,120.907849(29),,114.818(3) +49-In-122,121.910280(50),,114.818(3) +49-In-123,122.910439(26),,114.818(3) +49-In-124,123.913180(50),,114.818(3) +49-In-125,124.913600(30),,114.818(3) +49-In-126,125.916460(40),,114.818(3) +49-In-127,126.917340(40),,114.818(3) +49-In-128,127.920170(50),,114.818(3) +49-In-129,128.92166(14),,114.818(3) +49-In-130,129.924850(50),,114.818(3) +49-In-131,130.926770(80),,114.818(3) +49-In-132,131.932920(70),,114.818(3) +49-In-133,132.93834(43)#,,114.818(3) +49-In-134,133.94466(54)#,,114.818(3) +50-Sn-100,99.93895(46)#,,118.710(7) +50-Sn-101,100.93606(54)#,,118.710(7) +50-Sn-102,101.93049(43)#,,118.710(7) +50-Sn-103,102.92813(32)#,,118.710(7) +50-Sn-104,103.92319(16),,118.710(7) +50-Sn-105,104.92139(10),,118.710(7) +50-Sn-106,105.916880(50),,118.710(7) +50-Sn-107,106.915670(90),,118.710(7) +50-Sn-108,107.911970(50),,118.710(7) +50-Sn-109,108.911287(11),,118.710(7) +50-Sn-110,109.907853(17),,118.710(7) +50-Sn-111,110.907735(8),,118.710(7) +50-Sn-112,111.904821(5),0.97(1),118.710(7) +50-Sn-113,112.905173(4),,118.710(7) +50-Sn-114,113.902782(3),0.66(1),118.710(7) +50-Sn-115,114.903346(3),0.34(1),118.710(7) +50-Sn-116,115.901744(3),14.54(9),118.710(7) +50-Sn-117,116.902954(3),7.68(7),118.710(7) +50-Sn-118,117.901606(3),24.22(9),118.710(7) +50-Sn-119,118.903309(3),8.59(4),118.710(7) +50-Sn-120,119.9021966(27),32.58(9),118.710(7) +50-Sn-121,120.9042369(27),,118.710(7) +50-Sn-122,121.9034401(29),4.63(3),118.710(7) +50-Sn-123,122.9057219(29),,118.710(7) +50-Sn-124,123.9052746(15),5.79(5),118.710(7) +50-Sn-125,124.9077849(16),,118.710(7) +50-Sn-126,125.907654(11),,118.710(7) +50-Sn-127,126.910351(27),,118.710(7) +50-Sn-128,127.910535(29),,118.710(7) +50-Sn-129,128.91344(13),,118.710(7) +50-Sn-130,129.913850(30),,118.710(7) +50-Sn-131,130.916920(80),,118.710(7) +50-Sn-132,131.917744(28),,118.710(7) +50-Sn-133,132.923810(90),,118.710(7) +50-Sn-134,133.92846(11),,118.710(7) +50-Sn-135,134.93473(43)#,,118.710(7) +50-Sn-136,135.93934(54)#,,118.710(7) +50-Sn-137,136.94579(64)#,,118.710(7) +51-Sb-103,102.94012(54)#,,121.760(1) +51-Sb-104,103.93629(39)#,,121.760(1) +51-Sb-105,104.93153(17),,121.760(1) +51-Sb-106,105.92876(34)#,,121.760(1) +51-Sb-107,106.92415(32)#,,121.760(1) +51-Sb-108,107.92216(22)#,,121.760(1) +51-Sb-109,108.918136(20),,121.760(1) +51-Sb-110,109.91676(22)#,,121.760(1) +51-Sb-111,110.91321(22)#,,121.760(1) +51-Sb-112,111.912395(25),,121.760(1) +51-Sb-113,112.909378(24),,121.760(1) +51-Sb-114,113.90910(22),,121.760(1) +51-Sb-115,114.906599(22),,121.760(1) +51-Sb-116,115.906797(6),,121.760(1) +51-Sb-117,116.904840(10),,121.760(1) +51-Sb-118,117.905532(4),,121.760(1) +51-Sb-119,118.903946(9),,121.760(1) +51-Sb-120,119.905074(8),,121.760(1) +51-Sb-121,120.9038180(24),57.21(5),121.760(1) +51-Sb-122,121.9051754(24),,121.760(1) +51-Sb-123,122.9042157(22),42.79(5),121.760(1) +51-Sb-124,123.9059375(22),,121.760(1) +51-Sb-125,124.905248(3),,121.760(1) +51-Sb-126,125.907250(30),,121.760(1) +51-Sb-127,126.906915(6),,121.760(1) +51-Sb-128,127.909167(27),,121.760(1) +51-Sb-129,128.909150(23),,121.760(1) +51-Sb-130,129.911546(27),,121.760(1) +51-Sb-131,130.911950(80),,121.760(1) +51-Sb-132,131.914413(25),,121.760(1) +51-Sb-133,132.915240(80),,121.760(1) +51-Sb-134,133.920550(60),,121.760(1) +51-Sb-135,134.92517(11),,121.760(1) +51-Sb-136,135.93066(32)#,,121.760(1) +51-Sb-137,136.93531(43)#,,121.760(1) +51-Sb-138,137.94096(54)#,,121.760(1) +51-Sb-139,138.94571(64)#,,121.760(1) +52-Te-106,105.93770(43)#,,127.60(3) +52-Te-107,106.93504(32)#,,127.60(3) +52-Te-108,107.92949(16),,127.60(3) +52-Te-109,108.927460(80),,127.60(3) +52-Te-110,109.922410(60),,127.60(3) +52-Te-111,110.921120(80),,127.60(3) +52-Te-112,111.91706(18),,127.60(3) +52-Te-113,112.91593(22)#,,127.60(3) +52-Te-114,113.91206(22)#,,127.60(3) +52-Te-115,114.91158(11),,127.60(3) +52-Te-116,115.90842(10),,127.60(3) +52-Te-117,116.908634(20),,127.60(3) +52-Te-118,117.905825(17),,127.60(3) +52-Te-119,118.906408(9),,127.60(3) +52-Te-120,119.904020(11),0.09(1),127.60(3) +52-Te-121,120.904930(27),,127.60(3) +52-Te-122,121.9030471(20),2.55(12),127.60(3) +52-Te-123,122.9042730(19),0.89(3),127.60(3) +52-Te-124,123.9028195(16),4.74(14),127.60(3) +52-Te-125,124.9044247(20),7.07(15),127.60(3) +52-Te-126,125.9033055(20),18.84(25),127.60(3) +52-Te-127,126.905217(4),,127.60(3) +52-Te-128,127.9044614(19),31.74(8),127.60(3) +52-Te-129,128.906596(3),,127.60(3) +52-Te-130,129.9062228(21),34.08(62),127.60(3) +52-Te-131,130.9085219(22),,127.60(3) +52-Te-132,131.908524(12),,127.60(3) +52-Te-133,132.910940(80),,127.60(3) +52-Te-134,133.911540(40),,127.60(3) +52-Te-135,134.91645(10),,127.60(3) +52-Te-136,135.920100(50),,127.60(3) +52-Te-137,136.92532(13),,127.60(3) +52-Te-138,137.92922(22)#,,127.60(3) +52-Te-139,138.93473(43)#,,127.60(3) +52-Te-140,139.93870(54)#,,127.60(3) +52-Te-141,140.94439(54)#,,127.60(3) +52-Te-142,141.94850(64)#,,127.60(3) +53-I-108,107.94329(39)#,,126.90447(3) +53-I-109,108.93819(16),,126.90447(3) +53-I-110,109.93521(33)#,,126.90447(3) +53-I-111,110.93028(32)#,,126.90447(3) +53-I-112,111.92797(23)#,,126.90447(3) +53-I-113,112.923640(60),,126.90447(3) +53-I-114,113.92185(32)#,,126.90447(3) +53-I-115,114.91792(50)#,,126.90447(3) +53-I-116,115.91674(15),,126.90447(3) +53-I-117,116.913650(80),,126.90447(3) +53-I-118,117.913380(80),,126.90447(3) +53-I-119,118.910180(70),,126.90447(3) +53-I-120,119.910048(20),,126.90447(3) +53-I-121,120.907366(12),,126.90447(3) +53-I-122,121.907592(6),,126.90447(3) +53-I-123,122.905598(4),,126.90447(3) +53-I-124,123.9062114(26),,126.90447(3) +53-I-125,124.9046241(20),,126.90447(3) +53-I-126,125.905619(4),,126.90447(3) +53-I-127,126.904468(4),100,126.90447(3) +53-I-128,127.905805(4),,126.90447(3) +53-I-129,128.904987(4),,126.90447(3) +53-I-130,129.906674(4),,126.90447(3) +53-I-131,130.9061242(12),,126.90447(3) +53-I-132,131.907995(11),,126.90447(3) +53-I-133,132.907806(28),,126.90447(3) +53-I-134,133.909877(16),,126.90447(3) +53-I-135,134.910050(25),,126.90447(3) +53-I-136,135.914660(50),,126.90447(3) +53-I-137,136.917873(30),,126.90447(3) +53-I-138,137.922380(90),,126.90447(3) +53-I-139,138.926090(30),,126.90447(3) +53-I-140,139.93121(23)#,,126.90447(3) +53-I-141,140.93483(32)#,,126.90447(3) +53-I-142,141.94018(43)#,,126.90447(3) +53-I-143,142.94407(43)#,,126.90447(3) +53-I-144,143.94961(54)#,,126.90447(3) +54-Xe-110,109.94448(43)#,,131.293(6) +54-Xe-111,110.94163(33)#,,131.293(6) +54-Xe-112,111.93567(16),,131.293(6) +54-Xe-113,112.93338(10),,131.293(6) +54-Xe-114,113.92815(22)#,,131.293(6) +54-Xe-115,114.92654(26)#,,131.293(6) +54-Xe-116,115.92174(26)#,,131.293(6) +54-Xe-117,116.92056(19),,131.293(6) +54-Xe-118,117.91657(107),,131.293(6) +54-Xe-119,118.91555(13),,131.293(6) +54-Xe-120,119.912150(50),,131.293(6) +54-Xe-121,120.911386(26),,131.293(6) +54-Xe-122,121.908550(90),,131.293(6) +54-Xe-123,122.908471(17),,131.293(6) +54-Xe-124,123.9058958(21),0.09(1),131.293(6) +54-Xe-125,124.9063982(21),,131.293(6) +54-Xe-126,125.904269(7),0.09(1),131.293(6) +54-Xe-127,126.905180(4),,131.293(6) +54-Xe-128,127.9035304(15),1.92(3),131.293(6) +54-Xe-129,128.9047795(9),26.44(24),131.293(6) +54-Xe-130,129.9035079(10),4.08(2),131.293(6) +54-Xe-131,130.9050819(10),21.18(3),131.293(6) +54-Xe-132,131.9041545(12),26.89(6),131.293(6) +54-Xe-133,132.905906(4),,131.293(6) +54-Xe-134,133.9053945(9),10.44(10),131.293(6) +54-Xe-135,134.907207(11),,131.293(6) +54-Xe-136,135.907220(8),8.87(16),131.293(6) +54-Xe-137,136.911563(8),,131.293(6) +54-Xe-138,137.913990(40),,131.293(6) +54-Xe-139,138.918787(23),,131.293(6) +54-Xe-140,139.921640(70),,131.293(6) +54-Xe-141,140.92665(10),,131.293(6) +54-Xe-142,141.92970(11),,131.293(6) +54-Xe-143,142.93489(24)#,,131.293(6) +54-Xe-144,143.93823(34)#,,131.293(6) +54-Xe-145,144.94367(43)#,,131.293(6) +54-Xe-146,145.94730(43)#,,131.293(6) +54-Xe-147,146.95301(54)#,,131.293(6) +55-Cs-112,111.95033(33)#,,132.90545(2) +55-Cs-113,112.94454(16),,132.90545(2) +55-Cs-114,113.94142(33)#,,132.90545(2) +55-Cs-115,114.93594(46)#,,132.90545(2) +55-Cs-116,115.93291(38),,132.90545(2) +55-Cs-117,116.928640(60),,132.90545(2) +55-Cs-118,117.926555(14),,132.90545(2) +55-Cs-119,118.922371(15),,132.90545(2) +55-Cs-120,119.920678(11),,132.90545(2) +55-Cs-121,120.917184(15),,132.90545(2) +55-Cs-122,121.916122(18),,132.90545(2) +55-Cs-123,122.912990(13),,132.90545(2) +55-Cs-124,123.912246(13),,132.90545(2) +55-Cs-125,124.909725(8),,132.90545(2) +55-Cs-126,125.909448(13),,132.90545(2) +55-Cs-127,126.907418(9),,132.90545(2) +55-Cs-128,127.907748(6),,132.90545(2) +55-Cs-129,128.906063(5),,132.90545(2) +55-Cs-130,129.906706(9),,132.90545(2) +55-Cs-131,130.905460(6),,132.90545(2) +55-Cs-132,131.906430(4),,132.90545(2) +55-Cs-133,132.905447(3),100,132.90545(2) +55-Cs-134,133.906713(3),,132.90545(2) +55-Cs-135,134.905972(3),,132.90545(2) +55-Cs-136,135.907306(4),,132.90545(2) +55-Cs-137,136.907084(3),,132.90545(2) +55-Cs-138,137.911011(10),,132.90545(2) +55-Cs-139,138.913358(5),,132.90545(2) +55-Cs-140,139.917277(9),,132.90545(2) +55-Cs-141,140.920044(11),,132.90545(2) +55-Cs-142,141.924292(11),,132.90545(2) +55-Cs-143,142.927330(24),,132.90545(2) +55-Cs-144,143.932030(30),,132.90545(2) +55-Cs-145,144.935390(50),,132.90545(2) +55-Cs-146,145.940160(90),,132.90545(2) +55-Cs-147,146.94386(16),,132.90545(2) +55-Cs-148,147.94890(63),,132.90545(2) +55-Cs-149,148.95272(32)#,,132.90545(2) +55-Cs-150,149.95797(54)#,,132.90545(2) +55-Cs-151,150.96200(75)#,,132.90545(2) +56-Ba-114,113.95094(48)#,,137.327(7) +56-Ba-115,114.94771(64)#,,137.327(7) +56-Ba-116,115.94168(54)#,,137.327(7) +56-Ba-117,116.93886(70)#,,137.327(7) +56-Ba-118,117.93344(54)#,,137.327(7) +56-Ba-119,118.93105(109),,137.327(7) +56-Ba-120,119.92605(32),,137.327(7) +56-Ba-121,120.92449(33),,137.327(7) +56-Ba-122,121.92026(32)#,,137.327(7) +56-Ba-123,122.91885(32)#,,137.327(7) +56-Ba-124,123.915088(15),,137.327(7) +56-Ba-125,124.91462(27),,137.327(7) +56-Ba-126,125.911244(15),,137.327(7) +56-Ba-127,126.91112(11),,137.327(7) +56-Ba-128,127.908309(12),,137.327(7) +56-Ba-129,128.908674(12),,137.327(7) +56-Ba-130,129.906310(7),0.106(1),137.327(7) +56-Ba-131,130.906931(7),,137.327(7) +56-Ba-132,131.905056(3),0.101(1),137.327(7) +56-Ba-133,132.906002(3),,137.327(7) +56-Ba-134,133.904503(3),2.417(18),137.327(7) +56-Ba-135,134.905683(3),6.592(12),137.327(7) +56-Ba-136,135.904570(3),7.854(24),137.327(7) +56-Ba-137,136.905821(3),11.232(24),137.327(7) +56-Ba-138,137.905241(3),71.698(42),137.327(7) +56-Ba-139,138.908835(3),,137.327(7) +56-Ba-140,139.910599(9),,137.327(7) +56-Ba-141,140.914406(9),,137.327(7) +56-Ba-142,141.916448(7),,137.327(7) +56-Ba-143,142.920617(14),,137.327(7) +56-Ba-144,143.922940(15),,137.327(7) +56-Ba-145,144.926920(60),,137.327(7) +56-Ba-146,145.930110(80),,137.327(7) +56-Ba-147,146.93399(10),,137.327(7) +56-Ba-148,147.93768(15),,137.327(7) +56-Ba-149,148.94246(43)#,,137.327(7) +56-Ba-150,149.94562(54)#,,137.327(7) +56-Ba-151,150.95070(64)#,,137.327(7) +56-Ba-152,151.95416(75)#,,137.327(7) +56-Ba-153,152.95961(97)#,,137.327(7) +57-La-117,116.95001(96)#,,138.9055(2) +57-La-118,117.94657(86)#,,138.9055(2) +57-La-119,118.94099(75)#,,138.9055(2) +57-La-120,119.93807(64)#,,138.9055(2) +57-La-121,120.93301(54)#,,138.9055(2) +57-La-122,121.93071(54)#,,138.9055(2) +57-La-123,122.92624(43)#,,138.9055(2) +57-La-124,123.92453(32)#,,138.9055(2) +57-La-125,124.92067(32)#,,138.9055(2) +57-La-126,125.91937(32)#,,138.9055(2) +57-La-127,126.91616(24)#,,138.9055(2) +57-La-128,127.91545(43),,138.9055(2) +57-La-129,128.912670(60),,138.9055(2) +57-La-130,129.91232(22)#,,138.9055(2) +57-La-131,130.91011(11),,138.9055(2) +57-La-132,131.910110(50),,138.9055(2) +57-La-133,132.90840(21),,138.9055(2) +57-La-134,133.908490(28),,138.9055(2) +57-La-135,134.906971(11),,138.9055(2) +57-La-136,135.907650(80),,138.9055(2) +57-La-137,136.906470(50),,138.9055(2) +57-La-138,137.907107(4),0.090(1),138.9055(2) +57-La-139,138.906348(3),99.910(1),138.9055(2) +57-La-140,139.909473(3),,138.9055(2) +57-La-141,140.910957(5),,138.9055(2) +57-La-142,141.914074(6),,138.9055(2) +57-La-143,142.916059(16),,138.9055(2) +57-La-144,143.919590(60),,138.9055(2) +57-La-145,144.921640(70),,138.9055(2) +57-La-146,145.925700(80),,138.9055(2) +57-La-147,146.927820(80),,138.9055(2) +57-La-148,147.93219(14),,138.9055(2) +57-La-149,148.93437(32)#,,138.9055(2) +57-La-150,149.93857(43)#,,138.9055(2) +57-La-151,150.94156(54)#,,138.9055(2) +57-La-152,151.94611(64)#,,138.9055(2) +57-La-153,152.94945(75)#,,138.9055(2) +57-La-154,153.95440(86)#,,138.9055(2) +57-La-155,154.95813(97)#,,138.9055(2) +58-Ce-119,118.95276(97)#,,140.116(1) +58-Ce-120,119.94664(86)#,,140.116(1) +58-Ce-121,120.94367(75)#,,140.116(1) +58-Ce-122,121.93801(64)#,,140.116(1) +58-Ce-123,122.93551(54)#,,140.116(1) +58-Ce-124,123.93052(54)#,,140.116(1) +58-Ce-125,124.92854(43)#,,140.116(1) +58-Ce-126,125.92410(43)#,,140.116(1) +58-Ce-127,126.92275(32)#,,140.116(1) +58-Ce-128,127.91887(32)#,,140.116(1) +58-Ce-129,128.91809(22)#,,140.116(1) +58-Ce-130,129.91469(66)#,,140.116(1) +58-Ce-131,130.91442(44),,140.116(1) +58-Ce-132,131.91149(21)#,,140.116(1) +58-Ce-133,132.91155(21)#,,140.116(1) +58-Ce-134,133.90903(22),,140.116(1) +58-Ce-135,134.909146(12),,140.116(1) +58-Ce-136,135.907140(50),0.185(2),140.116(1) +58-Ce-137,136.907780(50),,140.116(1) +58-Ce-138,137.905986(11),0.251(2),140.116(1) +58-Ce-139,138.906647(8),,140.116(1) +58-Ce-140,139.905434(3),88.450(51),140.116(1) +58-Ce-141,140.908271(3),,140.116(1) +58-Ce-142,141.909240(4),11.114(51),140.116(1) +58-Ce-143,142.912381(4),,140.116(1) +58-Ce-144,143.913643(4),,140.116(1) +58-Ce-145,144.917230(40),,140.116(1) +58-Ce-146,145.918690(70),,140.116(1) +58-Ce-147,146.922510(60),,140.116(1) +58-Ce-148,147.92439(13),,140.116(1) +58-Ce-149,148.928290(80),,140.116(1) +58-Ce-150,149.93023(13),,140.116(1) +58-Ce-151,150.93404(32)#,,140.116(1) +58-Ce-152,151.93638(43)#,,140.116(1) +58-Ce-153,152.94058(54)#,,140.116(1) +58-Ce-154,153.94332(64)#,,140.116(1) +58-Ce-155,154.94804(75)#,,140.116(1) +58-Ce-156,155.95126(86)#,,140.116(1) +58-Ce-157,156.95634(97)#,,140.116(1) +59-Pr-121,120.95536(86)#,,140.90765(2) +59-Pr-122,121.95165(86)#,,140.90765(2) +59-Pr-123,122.94596(75)#,,140.90765(2) +59-Pr-124,123.94296(64)#,,140.90765(2) +59-Pr-125,124.93783(54)#,,140.90765(2) +59-Pr-126,125.93531(54)#,,140.90765(2) +59-Pr-127,126.93083(43)#,,140.90765(2) +59-Pr-128,127.92880(43)#,,140.90765(2) +59-Pr-129,128.92486(32)#,,140.90765(2) +59-Pr-130,129.92338(32)#,,140.90765(2) +59-Pr-131,130.92006(47),,140.90765(2) +59-Pr-132,131.91912(21)#,,140.90765(2) +59-Pr-133,132.91620(21)#,,140.90765(2) +59-Pr-134,133.91567(32)#,,140.90765(2) +59-Pr-135,134.91314(16),,140.90765(2) +59-Pr-136,135.912650(50),,140.90765(2) +59-Pr-137,136.910680(50),,140.90765(2) +59-Pr-138,137.910749(16),,140.90765(2) +59-Pr-139,138.908932(9),,140.90765(2) +59-Pr-140,139.909071(7),,140.90765(2) +59-Pr-141,140.907648(3),100,140.90765(2) +59-Pr-142,141.910040(3),,140.90765(2) +59-Pr-143,142.910812(3),,140.90765(2) +59-Pr-144,143.913301(4),,140.90765(2) +59-Pr-145,144.914507(8),,140.90765(2) +59-Pr-146,145.917590(60),,140.90765(2) +59-Pr-147,146.918980(40),,140.90765(2) +59-Pr-148,147.92218(10),,140.90765(2) +59-Pr-149,148.923791(11),,140.90765(2) +59-Pr-150,149.927000(90),,140.90765(2) +59-Pr-151,150.928230(40),,140.90765(2) +59-Pr-152,151.93160(32)#,,140.90765(2) +59-Pr-153,152.93365(32)#,,140.90765(2) +59-Pr-154,153.93739(43)#,,140.90765(2) +59-Pr-155,154.93999(54)#,,140.90765(2) +59-Pr-156,155.94412(64)#,,140.90765(2) +59-Pr-157,156.94717(75)#,,140.90765(2) +59-Pr-158,157.95178(86)#,,140.90765(2) +59-Pr-159,158.95523(97)#,,140.90765(2) +60-Nd-126,125.94307(75)#,,144.24(3) +60-Nd-127,126.94050(64)#,,144.24(3) +60-Nd-128,127.93539(64)#,,144.24(3) +60-Nd-129,128.93325(39)#,,144.24(3) +60-Nd-130,129.92878(54)#,,144.24(3) +60-Nd-131,130.92710(50),,144.24(3) +60-Nd-132,131.92312(32)#,,144.24(3) +60-Nd-133,132.92221(32)#,,144.24(3) +60-Nd-134,133.91865(36)#,,144.24(3) +60-Nd-135,134.91824(22)#,,144.24(3) +60-Nd-136,135.915020(60),,144.24(3) +60-Nd-137,136.914640(80),,144.24(3) +60-Nd-138,137.91193(22)#,,144.24(3) +60-Nd-139,138.911920(50),,144.24(3) +60-Nd-140,139.909310(21),,144.24(3) +60-Nd-141,140.909605(4),,144.24(3) +60-Nd-142,141.907719(3),27.2(5),144.24(3) +60-Nd-143,142.909810(3),12.2(2),144.24(3) +60-Nd-144,143.910083(3),23.8(3),144.24(3) +60-Nd-145,144.912569(3),8.3(1),144.24(3) +60-Nd-146,145.913112(3),17.2(3),144.24(3) +60-Nd-147,146.916096(3),,144.24(3) +60-Nd-148,147.916889(3),5.7(1),144.24(3) +60-Nd-149,148.920144(3),,144.24(3) +60-Nd-150,149.920887(4),5.6(2),144.24(3) +60-Nd-151,150.923825(4),,144.24(3) +60-Nd-152,151.924680(30),,144.24(3) +60-Nd-153,152.927695(29),,144.24(3) +60-Nd-154,153.92948(12),,144.24(3) +60-Nd-155,154.93263(16),,144.24(3) +60-Nd-156,155.93520(43)#,,144.24(3) +60-Nd-157,156.93927(54)#,,144.24(3) +60-Nd-158,157.94187(64)#,,144.24(3) +60-Nd-159,158.94639(75)#,,144.24(3) +60-Nd-160,159.94939(86)#,,144.24(3) +60-Nd-161,160.95433(97)#,,144.24(3) +61-Pm-128,127.94826(97)#,,[145] +61-Pm-129,128.94316(86)#,,[145] +61-Pm-130,129.94045(75)#,,[145] +61-Pm-131,130.93580(64)#,,[145] +61-Pm-132,131.93375(54)#,,[145] +61-Pm-133,132.92972(54)#,,[145] +61-Pm-134,133.92849(42)#,,[145] +61-Pm-135,134.92462(35)#,,[145] +61-Pm-136,135.92345(22),,[145] +61-Pm-137,136.92071(15)#,,[145] +61-Pm-138,137.91945(34)#,,[145] +61-Pm-139,138.916760(60),,[145] +61-Pm-140,139.915800(30),,[145] +61-Pm-141,140.913607(29),,[145] +61-Pm-142,141.912950(50),,[145] +61-Pm-143,142.910928(4),,[145] +61-Pm-144,143.912586(4),,[145] +61-Pm-145,144.912744(4),,[145] +61-Pm-146,145.914692(5),,[145] +61-Pm-147,146.915134(3),,[145] +61-Pm-148,147.917468(7),,[145] +61-Pm-149,148.918329(5),,[145] +61-Pm-150,149.920979(22),,[145] +61-Pm-151,150.921203(6),,[145] +61-Pm-152,151.923490(80),,[145] +61-Pm-153,152.924113(12),,[145] +61-Pm-154,153.926550(80),,[145] +61-Pm-155,154.928100(30),,[145] +61-Pm-156,155.931060(40),,[145] +61-Pm-157,156.93320(32)#,,[145] +61-Pm-158,157.93669(43)#,,[145] +61-Pm-159,158.93913(54)#,,[145] +61-Pm-160,159.94299(64)#,,[145] +61-Pm-161,160.94586(75)#,,[145] +61-Pm-162,161.95029(86)#,,[145] +61-Pm-163,162.95352(97)#,,[145] +62-Sm-130,129.94863(97)#,,150.36(3) +62-Sm-131,130.94589(97)#,,150.36(3) +62-Sm-132,131.94082(75)#,,150.36(3) +62-Sm-133,132.93873(64)#,,150.36(3) +62-Sm-134,133.93402(54)#,,150.36(3) +62-Sm-135,134.93235(54)#,,150.36(3) +62-Sm-136,135.92830(43)#,,150.36(3) +62-Sm-137,136.92705(12),,150.36(3) +62-Sm-138,137.92354(32)#,,150.36(3) +62-Sm-139,138.922302(16),,150.36(3) +62-Sm-140,139.918991(16),,150.36(3) +62-Sm-141,140.918469(13),,150.36(3) +62-Sm-142,141.915193(11),,150.36(3) +62-Sm-143,142.914624(4),,150.36(3) +62-Sm-144,143.911995(4),3.07(7),150.36(3) +62-Sm-145,144.913406(4),,150.36(3) +62-Sm-146,145.913037(4),,150.36(3) +62-Sm-147,146.914893(3),14.99(18),150.36(3) +62-Sm-148,147.914818(3),11.24(10),150.36(3) +62-Sm-149,148.917180(3),13.82(7),150.36(3) +62-Sm-150,149.917271(3),7.38(1),150.36(3) +62-Sm-151,150.919928(3),,150.36(3) +62-Sm-152,151.919728(3),26.75(16),150.36(3) +62-Sm-153,152.922094(3),,150.36(3) +62-Sm-154,153.922205(3),22.75(29),150.36(3) +62-Sm-155,154.924636(3),,150.36(3) +62-Sm-156,155.925526(10),,150.36(3) +62-Sm-157,156.928350(50),,150.36(3) +62-Sm-158,157.929990(80),,150.36(3) +62-Sm-159,158.93320(32)#,,150.36(3) +62-Sm-160,159.93514(43)#,,150.36(3) +62-Sm-161,160.93883(54)#,,150.36(3) +62-Sm-162,161.94122(64)#,,150.36(3) +62-Sm-163,162.94536(75)#,,150.36(3) +62-Sm-164,163.94828(86)#,,150.36(3) +62-Sm-165,164.95298(97)#,,150.36(3) +63-Eu-132,131.95416(97)#,,151.964(1) +63-Eu-133,132.94890(97)#,,151.964(1) +63-Eu-134,133.94632(75)#,,151.964(1) +63-Eu-135,134.94172(64)#,,151.964(1) +63-Eu-136,135.93950(54)#,,151.964(1) +63-Eu-137,136.93521(54)#,,151.964(1) +63-Eu-138,137.93345(43)#,,151.964(1) +63-Eu-139,138.92984(16)#,,151.964(1) +63-Eu-140,139.928080(60),,151.964(1) +63-Eu-141,140.924890(30),,151.964(1) +63-Eu-142,141.923400(30),,151.964(1) +63-Eu-143,142.920287(14),,151.964(1) +63-Eu-144,143.918774(19),,151.964(1) +63-Eu-145,144.916261(5),,151.964(1) +63-Eu-146,145.917200(8),,151.964(1) +63-Eu-147,146.916741(4),,151.964(1) +63-Eu-148,147.918154(19),,151.964(1) +63-Eu-149,148.917926(5),,151.964(1) +63-Eu-150,149.919698(8),,151.964(1) +63-Eu-151,150.919846(3),47.81(3),151.964(1) +63-Eu-152,151.921740(3),,151.964(1) +63-Eu-153,152.921226(3),52.19(3),151.964(1) +63-Eu-154,153.922975(3),,151.964(1) +63-Eu-155,154.922889(3),,151.964(1) +63-Eu-156,155.924751(6),,151.964(1) +63-Eu-157,156.925419(7),,151.964(1) +63-Eu-158,157.927840(80),,151.964(1) +63-Eu-159,158.929084(9),,151.964(1) +63-Eu-160,159.93197(22)#,,151.964(1) +63-Eu-161,160.93368(32)#,,151.964(1) +63-Eu-162,161.93704(43)#,,151.964(1) +63-Eu-163,162.93921(54)#,,151.964(1) +63-Eu-164,163.94299(64)#,,151.964(1) +63-Eu-165,164.94572(75)#,,151.964(1) +63-Eu-166,165.94997(86)#,,151.964(1) +63-Eu-167,166.95305(97)#,,151.964(1) +64-Gd-136,135.94707(75)#,,157.25(3) +64-Gd-137,136.94465(64)#,,157.25(3) +64-Gd-138,137.93997(54)#,,157.25(3) +64-Gd-139,138.93808(54)#,,157.25(3) +64-Gd-140,139.93395(43)#,,157.25(3) +64-Gd-141,140.93221(32)#,,157.25(3) +64-Gd-142,141.92823(32)#,,157.25(3) +64-Gd-143,142.92674(22),,157.25(3) +64-Gd-144,143.92279(22)#,,157.25(3) +64-Gd-145,144.921690(40),,157.25(3) +64-Gd-146,145.918305(6),,157.25(3) +64-Gd-147,146.919089(4),,157.25(3) +64-Gd-148,147.918110(4),,157.25(3) +64-Gd-149,148.919336(5),,157.25(3) +64-Gd-150,149.918655(7),,157.25(3) +64-Gd-151,150.920344(4),,157.25(3) +64-Gd-152,151.919788(3),0.20(1),157.25(3) +64-Gd-153,152.921746(3),,157.25(3) +64-Gd-154,153.920862(3),2.18(3),157.25(3) +64-Gd-155,154.922619(3),14.80(12),157.25(3) +64-Gd-156,155.922120(3),20.47(9),157.25(3) +64-Gd-157,156.923957(3),15.65(2),157.25(3) +64-Gd-158,157.924101(3),24.84(7),157.25(3) +64-Gd-159,158.926385(3),,157.25(3) +64-Gd-160,159.927051(3),21.86(19),157.25(3) +64-Gd-161,160.929666(3),,157.25(3) +64-Gd-162,161.930981(5),,157.25(3) +64-Gd-163,162.93399(32)#,,157.25(3) +64-Gd-164,163.93586(43)#,,157.25(3) +64-Gd-165,164.93938(54)#,,157.25(3) +64-Gd-166,165.94160(64)#,,157.25(3) +64-Gd-167,166.94557(64)#,,157.25(3) +64-Gd-168,167.94836(75)#,,157.25(3) +64-Gd-169,168.95287(86)#,,157.25(3) +65-Tb-138,137.95287(86)#,,158.92534(2) +65-Tb-139,138.94803(75)#,,158.92534(2) +65-Tb-140,139.94554(96)#,,158.92534(2) +65-Tb-141,140.94116(64)#,,158.92534(2) +65-Tb-142,141.93886(82)#,,158.92534(2) +65-Tb-143,142.93475(43)#,,158.92534(2) +65-Tb-144,143.93253(32)#,,158.92534(2) +65-Tb-145,144.92888(24)#,,158.92534(2) +65-Tb-146,145.927180(50),,158.92534(2) +65-Tb-147,146.924037(13),,158.92534(2) +65-Tb-148,147.924300(30),,158.92534(2) +65-Tb-149,148.923242(5),,158.92534(2) +65-Tb-150,149.923654(9),,158.92534(2) +65-Tb-151,150.923098(5),,158.92534(2) +65-Tb-152,151.924070(40),,158.92534(2) +65-Tb-153,152.923431(5),,158.92534(2) +65-Tb-154,153.924690(50),,158.92534(2) +65-Tb-155,154.923500(13),,158.92534(2) +65-Tb-156,155.924744(5),,158.92534(2) +65-Tb-157,156.924021(3),,158.92534(2) +65-Tb-158,157.925410(3),,158.92534(2) +65-Tb-159,158.925343(3),100,158.92534(2) +65-Tb-160,159.927164(3),,158.92534(2) +65-Tb-161,160.927566(3),,158.92534(2) +65-Tb-162,161.929480(40),,158.92534(2) +65-Tb-163,162.930644(5),,158.92534(2) +65-Tb-164,163.93335(11),,158.92534(2) +65-Tb-165,164.93488(21)#,,158.92534(2) +65-Tb-166,165.93805(32)#,,158.92534(2) +65-Tb-167,166.94005(43)#,,158.92534(2) +65-Tb-168,167.94364(54)#,,158.92534(2) +65-Tb-169,168.94622(64)#,,158.92534(2) +65-Tb-170,169.95025(75)#,,158.92534(2) +65-Tb-171,170.95330(86)#,,158.92534(2) +66-Dy-140,139.95379(97)#,,162.500(1) +66-Dy-141,140.95119(75)#,,162.500(1) +66-Dy-142,141.94627(85)#,,162.500(1) +66-Dy-143,142.94383(54)#,,162.500(1) +66-Dy-144,143.93907(43)#,,162.500(1) +66-Dy-145,144.93695(32)#,,162.500(1) +66-Dy-146,145.93272(12),,162.500(1) +66-Dy-147,146.930880(60),,162.500(1) +66-Dy-148,147.927180(30),,162.500(1) +66-Dy-149,148.927334(12),,162.500(1) +66-Dy-150,149.925580(6),,162.500(1) +66-Dy-151,150.926180(5),,162.500(1) +66-Dy-152,151.924714(6),,162.500(1) +66-Dy-153,152.925761(5),,162.500(1) +66-Dy-154,153.924422(9),,162.500(1) +66-Dy-155,154.925749(13),,162.500(1) +66-Dy-156,155.924278(7),0.06(1),162.500(1) +66-Dy-157,156.925461(7),,162.500(1) +66-Dy-158,157.924405(4),0.10(1),162.500(1) +66-Dy-159,158.925736(3),,162.500(1) +66-Dy-160,159.925194(3),2.34(8),162.500(1) +66-Dy-161,160.926930(3),18.91(24),162.500(1) +66-Dy-162,161.926795(3),25.51(26),162.500(1) +66-Dy-163,162.928728(3),24.90(16),162.500(1) +66-Dy-164,163.929171(3),28.18(37),162.500(1) +66-Dy-165,164.931700(3),,162.500(1) +66-Dy-166,165.932803(3),,162.500(1) +66-Dy-167,166.935650(60),,162.500(1) +66-Dy-168,167.93723(32)#,,162.500(1) +66-Dy-169,168.94030(32),,162.500(1) +66-Dy-170,169.94267(43)#,,162.500(1) +66-Dy-171,170.94648(54)#,,162.500(1) +66-Dy-172,171.94911(64)#,,162.500(1) +66-Dy-173,172.95344(75)#,,162.500(1) +67-Ho-142,141.95986(107)#,,164.93032(2) +67-Ho-143,142.95469(75)#,,164.93032(2) +67-Ho-144,143.95164(64)#,,164.93032(2) +67-Ho-145,144.94688(64)#,,164.93032(2) +67-Ho-146,145.94410(54)#,,164.93032(2) +67-Ho-147,146.93984(43)#,,164.93032(2) +67-Ho-148,147.93727(29)#,,164.93032(2) +67-Ho-149,148.933790(23),,164.93032(2) +67-Ho-150,149.93335(11)#,,164.93032(2) +67-Ho-151,150.931681(13),,164.93032(2) +67-Ho-152,151.931740(30),,164.93032(2) +67-Ho-153,152.930195(6),,164.93032(2) +67-Ho-154,153.930596(10),,164.93032(2) +67-Ho-155,154.929079(25),,164.93032(2) +67-Ho-156,155.92971(22)#,,164.93032(2) +67-Ho-157,156.928190(50),,164.93032(2) +67-Ho-158,157.928950(30),,164.93032(2) +67-Ho-159,158.927709(4),,164.93032(2) +67-Ho-160,159.928726(16),,164.93032(2) +67-Ho-161,160.927852(4),,164.93032(2) +67-Ho-162,161.929092(5),,164.93032(2) +67-Ho-163,162.928730(3),,164.93032(2) +67-Ho-164,163.930231(3),,164.93032(2) +67-Ho-165,164.930319(3),100,164.93032(2) +67-Ho-166,165.932281(3),,164.93032(2) +67-Ho-167,166.933126(6),,164.93032(2) +67-Ho-168,167.935500(30),,164.93032(2) +67-Ho-169,168.936868(22),,164.93032(2) +67-Ho-170,169.939610(50),,164.93032(2) +67-Ho-171,170.94146(64),,164.93032(2) +67-Ho-172,171.94482(43)#,,164.93032(2) +67-Ho-173,172.94729(43)#,,164.93032(2) +67-Ho-174,173.95115(54)#,,164.93032(2) +67-Ho-175,174.95405(64)#,,164.93032(2) +68-Er-144,143.96059(86)#,,167.259(3) +68-Er-145,144.95746(75)#,,167.259(3) +68-Er-146,145.95212(64)#,,167.259(3) +68-Er-147,146.94931(54)#,,167.259(3) +68-Er-148,147.94444(43)#,,167.259(3) +68-Er-149,148.94217(51)#,,167.259(3) +68-Er-150,149.93776(11)#,,167.259(3) +68-Er-151,150.93746(32)#,,167.259(3) +68-Er-152,151.935080(30),,167.259(3) +68-Er-153,152.935093(12),,167.259(3) +68-Er-154,153.932777(6),,167.259(3) +68-Er-155,154.933200(50),,167.259(3) +68-Er-156,155.931020(80),,167.259(3) +68-Er-157,156.931950(90),,167.259(3) +68-Er-158,157.92991(11)#,,167.259(3) +68-Er-159,158.930681(5),,167.259(3) +68-Er-160,159.929080(50),,167.259(3) +68-Er-161,160.930001(10),,167.259(3) +68-Er-162,161.928775(4),0.14(1),167.259(3) +68-Er-163,162.930029(6),,167.259(3) +68-Er-164,163.929197(4),1.61(3),167.259(3) +68-Er-165,164.930723(4),,167.259(3) +68-Er-166,165.930290(3),33.61(35),167.259(3) +68-Er-167,166.932045(3),22.93(17),167.259(3) +68-Er-168,167.932368(3),26.78(26),167.259(3) +68-Er-169,168.934588(3),,167.259(3) +68-Er-170,169.935460(3),14.93(27),167.259(3) +68-Er-171,170.938026(3),,167.259(3) +68-Er-172,171.939352(5),,167.259(3) +68-Er-173,172.94240(21)#,,167.259(3) +68-Er-174,173.94434(32)#,,167.259(3) +68-Er-175,174.94793(43)#,,167.259(3) +68-Er-176,175.95029(43)#,,167.259(3) +68-Er-177,176.95437(64)#,,167.259(3) +69-Tm-146,145.96650(75)#,,168.93421(2) +69-Tm-147,146.96108(64)#,,168.93421(2) +69-Tm-148,147.95755(75)#,,168.93421(2) +69-Tm-149,148.95265(64)#,,168.93421(2) +69-Tm-150,149.94967(54)#,,168.93421(2) +69-Tm-151,150.94543(15)#,,168.93421(2) +69-Tm-152,151.94430(32)#,,168.93421(2) +69-Tm-153,152.942028(23),,168.93421(2) +69-Tm-154,153.94142(12)#,,168.93421(2) +69-Tm-155,154.939192(14),,168.93421(2) +69-Tm-156,155.939010(60),,168.93421(2) +69-Tm-157,156.93676(11),,168.93421(2) +69-Tm-158,157.93700(13)#,,168.93421(2) +69-Tm-159,158.934810(70),,168.93421(2) +69-Tm-160,159.93509(33),,168.93421(2) +69-Tm-161,160.93340(10),,168.93421(2) +69-Tm-162,161.933970(30),,168.93421(2) +69-Tm-163,162.932648(7),,168.93421(2) +69-Tm-164,163.933451(20),,168.93421(2) +69-Tm-165,164.932432(4),,168.93421(2) +69-Tm-166,165.933553(12),,168.93421(2) +69-Tm-167,166.932849(3),,168.93421(2) +69-Tm-168,167.934170(4),,168.93421(2) +69-Tm-169,168.934211(3),100,168.93421(2) +69-Tm-170,169.935798(3),,168.93421(2) +69-Tm-171,170.936426(3),,168.93421(2) +69-Tm-172,171.938396(7),,168.93421(2) +69-Tm-173,172.939600(6),,168.93421(2) +69-Tm-174,173.942160(50),,168.93421(2) +69-Tm-175,174.943830(50),,168.93421(2) +69-Tm-176,175.94699(11),,168.93421(2) +69-Tm-177,176.94904(32)#,,168.93421(2) +69-Tm-178,177.95264(43)#,,168.93421(2) +69-Tm-179,178.95534(54)#,,168.93421(2) +70-Yb-148,147.96676(86)#,,173.04(3) +70-Yb-149,148.96348(75)#,,173.04(3) +70-Yb-150,149.95799(64)#,,173.04(3) +70-Yb-151,150.95525(34)#,,173.04(3) +70-Yb-152,151.95017(38)#,,173.04(3) +70-Yb-153,152.94921(32)#,,173.04(3) +70-Yb-154,153.94624(11)#,,173.04(3) +70-Yb-155,154.94579(32)#,,173.04(3) +70-Yb-156,155.942850(40),,173.04(3) +70-Yb-157,156.942660(60),,173.04(3) +70-Yb-158,157.939858(11),,173.04(3) +70-Yb-159,158.94015(10),,173.04(3) +70-Yb-160,159.93756(22)#,,173.04(3) +70-Yb-161,160.93785(24)#,,173.04(3) +70-Yb-162,161.93575(22)#,,173.04(3) +70-Yb-163,162.93627(11),,173.04(3) +70-Yb-164,163.93452(11)#,,173.04(3) +70-Yb-165,164.935398(22),,173.04(3) +70-Yb-166,165.933880(9),,173.04(3) +70-Yb-167,166.934947(5),,173.04(3) +70-Yb-168,167.933894(5),0.13(1),173.04(3) +70-Yb-169,168.935187(5),,173.04(3) +70-Yb-170,169.934759(3),3.04(15),173.04(3) +70-Yb-171,170.936322(3),14.28(57),173.04(3) +70-Yb-172,171.9363777(30),21.83(67),173.04(3) +70-Yb-173,172.9382068(30),16.13(27),173.04(3) +70-Yb-174,173.9388581(30),31.83(92),173.04(3) +70-Yb-175,174.9412725(30),,173.04(3) +70-Yb-176,175.942568(3),12.76(41),173.04(3) +70-Yb-177,176.945257(3),,173.04(3) +70-Yb-178,177.946643(11),,173.04(3) +70-Yb-179,178.95017(32)#,,173.04(3) +70-Yb-180,179.95233(43)#,,173.04(3) +70-Yb-181,180.95615(43)#,,173.04(3) +71-Lu-150,149.97267(75)#,,174.967(1) +71-Lu-151,150.96715(65)#,,174.967(1) +71-Lu-152,151.96361(75)#,,174.967(1) +71-Lu-153,152.95869(64)#,,174.967(1) +71-Lu-154,153.95710(54)#,,174.967(1) +71-Lu-155,154.95423(14)#,,174.967(1) +71-Lu-156,155.95291(32)#,,174.967(1) +71-Lu-157,156.950102(23),,174.967(1) +71-Lu-158,157.94917(13)#,,174.967(1) +71-Lu-159,158.946620(50),,174.967(1) +71-Lu-160,159.94602(25)#,,174.967(1) +71-Lu-161,160.94354(26)#,,174.967(1) +71-Lu-162,161.94322(24)#,,174.967(1) +71-Lu-163,162.94120(24),,174.967(1) +71-Lu-164,163.94122(13)#,,174.967(1) +71-Lu-165,164.939610(90),,174.967(1) +71-Lu-166,165.93976(17),,174.967(1) +71-Lu-167,166.93831(11),,174.967(1) +71-Lu-168,167.938700(90),,174.967(1) +71-Lu-169,168.937649(6),,174.967(1) +71-Lu-170,169.938472(20),,174.967(1) +71-Lu-171,170.937910(3),,174.967(1) +71-Lu-172,171.939082(4),,174.967(1) +71-Lu-173,172.938927(3),,174.967(1) +71-Lu-174,173.9403335(30),,174.967(1) +71-Lu-175,174.9407679(28),97.41(2),174.967(1) +71-Lu-176,175.9426824(28),2.59(2),174.967(1) +71-Lu-177,176.9437550(28),,174.967(1) +71-Lu-178,177.945951(3),,174.967(1) +71-Lu-179,178.947324(6),,174.967(1) +71-Lu-180,179.949880(80),,174.967(1) +71-Lu-181,180.95197(32)#,,174.967(1) +71-Lu-182,181.95521(32)#,,174.967(1) +71-Lu-183,182.95757(32)#,,174.967(1) +71-Lu-184,183.96117(43)#,,174.967(1) +72-Hf-154,153.96425(75)#,,178.49(2) +72-Hf-155,154.96276(64)#,,178.49(2) +72-Hf-156,155.95925(38)#,,178.49(2) +72-Hf-157,156.95813(32)#,,178.49(2) +72-Hf-158,157.95465(11)#,,178.49(2) +72-Hf-159,158.95400(32)#,,178.49(2) +72-Hf-160,159.950710(40),,178.49(2) +72-Hf-161,160.950330(80),,178.49(2) +72-Hf-162,161.947203(12),,178.49(2) +72-Hf-163,162.94706(34)#,,178.49(2) +72-Hf-164,163.94442(21)#,,178.49(2) +72-Hf-165,164.94454(40)#,,178.49(2) +72-Hf-166,165.94225(32)#,,178.49(2) +72-Hf-167,166.94260(22)#,,178.49(2) +72-Hf-168,167.94063(11)#,,178.49(2) +72-Hf-169,168.941160(90),,178.49(2) +72-Hf-170,169.93965(21)#,,178.49(2) +72-Hf-171,170.94049(21)#,,178.49(2) +72-Hf-172,171.939460(50),,178.49(2) +72-Hf-173,172.94065(11)#,,178.49(2) +72-Hf-174,173.940040(3),0.16(1),178.49(2) +72-Hf-175,174.941503(3),,178.49(2) +72-Hf-176,175.9414018(29),5.26(7),178.49(2) +72-Hf-177,176.9432200(27),18.60(9),178.49(2) +72-Hf-178,177.9436977(27),27.28(7),178.49(2) +72-Hf-179,178.9458151(27),13.62(2),178.49(2) +72-Hf-180,179.9465488(27),35.08(16),178.49(2) +72-Hf-181,180.9490991(28),,178.49(2) +72-Hf-182,181.950553(7),,178.49(2) +72-Hf-183,182.953530(30),,178.49(2) +72-Hf-184,183.955450(40),,178.49(2) +72-Hf-185,184.95878(32)#,,178.49(2) +72-Hf-186,185.96092(32)#,,178.49(2) +73-Ta-156,155.97169(64)#,,180.9479(1) +73-Ta-157,156.96815(64)#,,180.9479(1) +73-Ta-158,157.96637(54)#,,180.9479(1) +73-Ta-159,158.96291(13)#,,180.9479(1) +73-Ta-160,159.96136(33)#,,180.9479(1) +73-Ta-161,160.958370(60),,180.9479(1) +73-Ta-162,161.95715(14)#,,180.9479(1) +73-Ta-163,162.954320(80),,180.9479(1) +73-Ta-164,163.95357(43)#,,180.9479(1) +73-Ta-165,164.95082(24)#,,180.9479(1) +73-Ta-166,165.95047(32)#,,180.9479(1) +73-Ta-167,166.94797(46)#,,180.9479(1) +73-Ta-168,167.94779(39)#,,180.9479(1) +73-Ta-169,168.94592(22)#,,180.9479(1) +73-Ta-170,169.94609(21)#,,180.9479(1) +73-Ta-171,170.94446(22)#,,180.9479(1) +73-Ta-172,171.94474(20),,180.9479(1) +73-Ta-173,172.94354(24)#,,180.9479(1) +73-Ta-174,173.944170(90),,180.9479(1) +73-Ta-175,174.94365(11)#,,180.9479(1) +73-Ta-176,175.94474(11),,180.9479(1) +73-Ta-177,176.944472(4),,180.9479(1) +73-Ta-178,177.94575(11),,180.9479(1) +73-Ta-179,178.945934(6),,180.9479(1) +73-Ta-180,179.947466(3),0.012(2),180.9479(1) +73-Ta-181,180.947996(3),99.988(2),180.9479(1) +73-Ta-182,181.950152(3),,180.9479(1) +73-Ta-183,182.951373(3),,180.9479(1) +73-Ta-184,183.954009(28),,180.9479(1) +73-Ta-185,184.955559(15),,180.9479(1) +73-Ta-186,185.958550(60),,180.9479(1) +73-Ta-187,186.96041(32)#,,180.9479(1) +73-Ta-188,187.96371(32)#,,180.9479(1) +74-W-158,157.97394(75)#,,183.84(1) +74-W-159,158.97228(64)#,,183.84(1) +74-W-160,159.96837(38)#,,183.84(1) +74-W-161,160.96709(33)#,,183.84(1) +74-W-162,161.96334(11)#,,183.84(1) +74-W-163,162.96253(33)#,,183.84(1) +74-W-164,163.958980(40),,183.84(1) +74-W-165,164.958340(90),,183.84(1) +74-W-166,165.955020(13),,183.84(1) +74-W-167,166.95467(33)#,,183.84(1) +74-W-168,167.95186(21)#,,183.84(1) +74-W-169,168.95176(34)#,,183.84(1) +74-W-170,169.94929(51)#,,183.84(1) +74-W-171,170.94946(30)#,,183.84(1) +74-W-172,171.94742(29)#,,183.84(1) +74-W-173,172.94783(40)#,,183.84(1) +74-W-174,173.94616(32)#,,183.84(1) +74-W-175,174.94677(21)#,,183.84(1) +74-W-176,175.94559(21)#,,183.84(1) +74-W-177,176.94662(32)#,,183.84(1) +74-W-178,177.94585(11),,183.84(1) +74-W-179,178.947072(17),,183.84(1) +74-W-180,179.946706(5),0.12(1),183.84(1) +74-W-181,180.948198(6),,183.84(1) +74-W-182,181.948206(3),26.50(16),183.84(1) +74-W-183,182.9502245(29),14.31(4),183.84(1) +74-W-184,183.9509326(29),30.64(2),183.84(1) +74-W-185,184.9534206(30),,183.84(1) +74-W-186,185.954362(3),28.43(19),183.84(1) +74-W-187,186.957158(3),,183.84(1) +74-W-188,187.958487(4),,183.84(1) +74-W-189,188.96191(21),,183.84(1) +74-W-190,189.96318(24),,183.84(1) +75-Re-160,159.98149(64)#,,186.207(1) +75-Re-161,160.97766(64)#,,186.207(1) +75-Re-162,161.97571(55)#,,186.207(1) +75-Re-163,162.97197(12)#,,186.207(1) +75-Re-164,163.97032(33)#,,186.207(1) +75-Re-165,164.967050(80),,186.207(1) +75-Re-166,165.96580(15)#,,186.207(1) +75-Re-167,166.96256(14)#,,186.207(1) +75-Re-168,167.96161(43)#,,186.207(1) +75-Re-169,168.95883(22)#,,186.207(1) +75-Re-170,169.95816(43)#,,186.207(1) +75-Re-171,170.95555(37)#,,186.207(1) +75-Re-172,171.95529(33)#,,186.207(1) +75-Re-173,172.95306(48)#,,186.207(1) +75-Re-174,173.95311(44)#,,186.207(1) +75-Re-175,174.95139(48)#,,186.207(1) +75-Re-176,175.95157(21)#,,186.207(1) +75-Re-177,176.95027(21)#,,186.207(1) +75-Re-178,177.95085(22),,186.207(1) +75-Re-179,178.949980(60),,186.207(1) +75-Re-180,179.950790(40),,186.207(1) +75-Re-181,180.950065(15),,186.207(1) +75-Re-182,181.95121(11),,186.207(1) +75-Re-183,182.950821(9),,186.207(1) +75-Re-184,183.952524(6),,186.207(1) +75-Re-185,184.9529557(30),37.40(2),186.207(1) +75-Re-186,185.954987(3),,186.207(1) +75-Re-187,186.9557508(30),62.60(2),186.207(1) +75-Re-188,187.9581123(30),,186.207(1) +75-Re-189,188.959228(9),,186.207(1) +75-Re-190,189.96182(23),,186.207(1) +75-Re-191,190.963124(11),,186.207(1) +75-Re-192,191.96596(21)#,,186.207(1) +76-Os-162,161.98382(75)#,,190.23(3) +76-Os-163,162.98205(64)#,,190.23(3) +76-Os-164,163.97793(38)#,,190.23(3) +76-Os-165,164.97648(33)#,,190.23(3) +76-Os-166,165.97253(11)#,,190.23(3) +76-Os-167,166.97155(33)#,,190.23(3) +76-Os-168,167.967830(40),,190.23(3) +76-Os-169,168.967080(90),,190.23(3) +76-Os-170,169.963570(14),,190.23(3) +76-Os-171,170.96304(33)#,,190.23(3) +76-Os-172,171.96008(21)#,,190.23(3) +76-Os-173,172.95979(33)#,,190.23(3) +76-Os-174,173.95712(50)#,,190.23(3) +76-Os-175,174.95708(32)#,,190.23(3) +76-Os-176,175.95495(22)#,,190.23(3) +76-Os-177,176.95505(30)#,,190.23(3) +76-Os-178,177.95335(22),,190.23(3) +76-Os-179,178.95395(25)#,,190.23(3) +76-Os-180,179.95235(20)#,,190.23(3) +76-Os-181,180.95327(22),,190.23(3) +76-Os-182,181.952186(27),,190.23(3) +76-Os-183,182.95311(11)#,,190.23(3) +76-Os-184,183.952491(3),0.02(1),190.23(3) +76-Os-185,184.954043(3),,190.23(3) +76-Os-186,185.953838(3),1.59(3),190.23(3) +76-Os-187,186.9557479(30),1.96(2),190.23(3) +76-Os-188,187.9558360(30),13.24(8),190.23(3) +76-Os-189,188.9581449(30),16.15(5),190.23(3) +76-Os-190,189.958445(3),26.26(2),190.23(3) +76-Os-191,190.960928(3),,190.23(3) +76-Os-192,191.961479(4),40.78(19),190.23(3) +76-Os-193,192.964148(4),,190.23(3) +76-Os-194,193.965179(4),,190.23(3) +76-Os-195,194.96812(54),,190.23(3) +76-Os-196,195.969620(40),,190.23(3) +77-Ir-165,164.98758(43)#,,192.217(3) +77-Ir-166,165.98551(55)#,,192.217(3) +77-Ir-167,166.98154(11)#,,192.217(3) +77-Ir-168,167.97997(35)#,,192.217(3) +77-Ir-169,168.97639(10),,192.217(3) +77-Ir-170,169.97503(16)#,,192.217(3) +77-Ir-171,170.97178(14)#,,192.217(3) +77-Ir-172,171.97064(43)#,,192.217(3) +77-Ir-173,172.96771(25)#,,192.217(3) +77-Ir-174,173.96680(43)#,,192.217(3) +77-Ir-175,174.96428(37)#,,192.217(3) +77-Ir-176,175.96351(33)#,,192.217(3) +77-Ir-177,176.96117(48)#,,192.217(3) +77-Ir-178,177.96108(39)#,,192.217(3) +77-Ir-179,178.95915(43)#,,192.217(3) +77-Ir-180,179.95925(21)#,,192.217(3) +77-Ir-181,180.95764(23),,192.217(3) +77-Ir-182,181.95813(15),,192.217(3) +77-Ir-183,182.95681(15)#,,192.217(3) +77-Ir-184,183.95739(29),,192.217(3) +77-Ir-185,184.95659(21)#,,192.217(3) +77-Ir-186,185.957951(22),,192.217(3) +77-Ir-187,186.957361(7),,192.217(3) +77-Ir-188,187.958852(8),,192.217(3) +77-Ir-189,188.958716(14),,192.217(3) +77-Ir-190,189.96059(21),,192.217(3) +77-Ir-191,190.960591(3),37.3(2),192.217(3) +77-Ir-192,191.962602(3),,192.217(3) +77-Ir-193,192.962924(3),62.7(2),192.217(3) +77-Ir-194,193.965076(3),,192.217(3) +77-Ir-195,194.965977(3),,192.217(3) +77-Ir-196,195.968380(40),,192.217(3) +77-Ir-197,196.969636(22),,192.217(3) +77-Ir-198,197.97228(21)#,,192.217(3) +77-Ir-199,198.973790(40),,192.217(3) +78-Pt-168,167.98804(38)#,,195.078(2) +78-Pt-169,168.98642(34)#,,195.078(2) +78-Pt-170,169.98233(11)#,,195.078(2) +78-Pt-171,170.98125(34)#,,195.078(2) +78-Pt-172,171.977380(40),,195.078(2) +78-Pt-173,172.97650(11),,195.078(2) +78-Pt-174,173.972811(14),,195.078(2) +78-Pt-175,174.97228(33)#,,195.078(2) +78-Pt-176,175.96900(21)#,,195.078(2) +78-Pt-177,176.96845(33)#,,195.078(2) +78-Pt-178,177.96571(50)#,,195.078(2) +78-Pt-179,178.96548(32)#,,195.078(2) +78-Pt-180,179.96322(22)#,,195.078(2) +78-Pt-181,180.96318(30)#,,195.078(2) +78-Pt-182,181.96127(22),,195.078(2) +78-Pt-183,182.96173(25)#,,195.078(2) +78-Pt-184,183.95990(20)#,,195.078(2) +78-Pt-185,184.96075(22),,195.078(2) +78-Pt-186,185.959430(30),,195.078(2) +78-Pt-187,186.96056(20)#,,195.078(2) +78-Pt-188,187.959396(6),,195.078(2) +78-Pt-189,188.960832(12),,195.078(2) +78-Pt-190,189.959930(7),0.014(1),195.078(2) +78-Pt-191,190.961685(5),,195.078(2) +78-Pt-192,191.961035(4),0.782(7),195.078(2) +78-Pt-193,192.962985(3),,195.078(2) +78-Pt-194,193.962664(3),32.967(99),195.078(2) +78-Pt-195,194.964774(3),33.832(10),195.078(2) +78-Pt-196,195.964935(3),25.242(41),195.078(2) +78-Pt-197,196.967323(3),,195.078(2) +78-Pt-198,197.967876(4),7.163(55),195.078(2) +78-Pt-199,198.970576(5),,195.078(2) +78-Pt-200,199.971424(22),,195.078(2) +78-Pt-201,200.974500(50),,195.078(2) +78-Pt-202,201.97574(32)#,,195.078(2) +79-Au-171,170.99177(27)#,,196.96655(2) +79-Au-172,171.99011(36)#,,196.96655(2) +79-Au-173,172.98640(11),,196.96655(2) +79-Au-174,173.98492(16)#,,196.96655(2) +79-Au-175,174.98155(26)#,,196.96655(2) +79-Au-176,175.98027(43)#,,196.96655(2) +79-Au-177,176.97722(25)#,,196.96655(2) +79-Au-178,177.97598(43)#,,196.96655(2) +79-Au-179,178.97341(37)#,,196.96655(2) +79-Au-180,179.97240(32)#,,196.96655(2) +79-Au-181,180.96995(48)#,,196.96655(2) +79-Au-182,181.96962(39)#,,196.96655(2) +79-Au-183,182.96762(43)#,,196.96655(2) +79-Au-184,183.96747(21)#,,196.96655(2) +79-Au-185,184.96581(23),,196.96655(2) +79-Au-186,185.96600(15),,196.96655(2) +79-Au-187,186.96456(16)#,,196.96655(2) +79-Au-188,187.96509(11)#,,196.96655(2) +79-Au-189,188.96389(22)#,,196.96655(2) +79-Au-190,189.964699(17),,196.96655(2) +79-Au-191,190.963650(50),,196.96655(2) +79-Au-192,191.964810(17),,196.96655(2) +79-Au-193,192.964132(10),,196.96655(2) +79-Au-194,193.965339(12),,196.96655(2) +79-Au-195,194.965018(3),,196.96655(2) +79-Au-196,195.966551(4),,196.96655(2) +79-Au-197,196.966552(3),100,196.96655(2) +79-Au-198,197.968225(3),,196.96655(2) +79-Au-199,198.968748(3),,196.96655(2) +79-Au-200,199.970720(60),,196.96655(2) +79-Au-201,200.971641(5),,196.96655(2) +79-Au-202,201.97379(18),,196.96655(2) +79-Au-203,202.975137(5),,196.96655(2) +79-Au-204,203.97771(22)#,,196.96655(2) +79-Au-205,204.97961(32)#,,196.96655(2) +80-Hg-175,174.99141(34)#,,200.59(2) +80-Hg-176,175.987410(40),,200.59(2) +80-Hg-177,176.98634(12),,200.59(2) +80-Hg-178,177.982476(16),,200.59(2) +80-Hg-179,178.98178(33)#,,200.59(2) +80-Hg-180,179.97832(21)#,,200.59(2) +80-Hg-181,180.97781(33)#,,200.59(2) +80-Hg-182,181.97475(50)#,,200.59(2) +80-Hg-183,182.97456(32)#,,200.59(2) +80-Hg-184,183.97190(22)#,,200.59(2) +80-Hg-185,184.97198(30)#,,200.59(2) +80-Hg-186,185.96946(22),,200.59(2) +80-Hg-187,186.96979(26)#,,200.59(2) +80-Hg-188,187.96756(19)#,,200.59(2) +80-Hg-189,188.96813(30)#,,200.59(2) +80-Hg-190,189.96628(16)#,,200.59(2) +80-Hg-191,190.967060(90),,200.59(2) +80-Hg-192,191.96557(30)#,,200.59(2) +80-Hg-193,192.966644(21),,200.59(2) +80-Hg-194,193.965382(25),,200.59(2) +80-Hg-195,194.966640(50),,200.59(2) +80-Hg-196,195.965815(4),0.15(1),200.59(2) +80-Hg-197,196.967195(5),,200.59(2) +80-Hg-198,197.966752(3),9.97(20),200.59(2) +80-Hg-199,198.968262(3),16.87(22),200.59(2) +80-Hg-200,199.968309(3),23.10(19),200.59(2) +80-Hg-201,200.970285(3),13.18(9),200.59(2) +80-Hg-202,201.970626(3),29.86(26),200.59(2) +80-Hg-203,202.972857(3),,200.59(2) +80-Hg-204,203.973476(3),6.87(15),200.59(2) +80-Hg-205,204.976056(5),,200.59(2) +80-Hg-206,205.977499(22),,200.59(2) +80-Hg-207,206.98258(16),,200.59(2) +80-Hg-208,207.98594(32)#,,200.59(2) +81-Tl-177,176.99688(24)#,,204.3833(2) +81-Tl-178,177.99523(23)#,,204.3833(2) +81-Tl-179,178.99147(15)#,,204.3833(2) +81-Tl-180,179.99019(48)#,,204.3833(2) +81-Tl-181,180.98690(41)#,,204.3833(2) +81-Tl-182,181.98561(43)#,,204.3833(2) +81-Tl-183,182.98270(42)#,,204.3833(2) +81-Tl-184,183.98176(32)#,,204.3833(2) +81-Tl-185,184.97910(43)#,,204.3833(2) +81-Tl-186,185.97855(39)#,,204.3833(2) +81-Tl-187,186.97617(43)#,,204.3833(2) +81-Tl-188,187.97592(24)#,,204.3833(2) +81-Tl-189,188.97369(37)#,,204.3833(2) +81-Tl-190,189.97379(46)#,,204.3833(2) +81-Tl-191,190.97189(23)#,,204.3833(2) +81-Tl-192,191.97214(22)#,,204.3833(2) +81-Tl-193,192.97055(27)#,,204.3833(2) +81-Tl-194,193.97105(22)#,,204.3833(2) +81-Tl-195,194.96965(14)#,,204.3833(2) +81-Tl-196,195.97052(15)#,,204.3833(2) +81-Tl-197,196.969540(30),,204.3833(2) +81-Tl-198,197.970470(90),,204.3833(2) +81-Tl-199,198.96981(11),,204.3833(2) +81-Tl-200,199.970945(7),,204.3833(2) +81-Tl-201,200.970804(16),,204.3833(2) +81-Tl-202,201.972091(16),,204.3833(2) +81-Tl-203,202.972329(3),29.524(14),204.3833(2) +81-Tl-204,203.973849(3),,204.3833(2) +81-Tl-205,204.974412(3),70.476(14),204.3833(2) +81-Tl-206,205.976095(3),,204.3833(2) +81-Tl-207,206.977408(6),,204.3833(2) +81-Tl-208,207.982005(3),,204.3833(2) +81-Tl-209,208.985349(10),,204.3833(2) +81-Tl-210,209.990066(12),,204.3833(2) +82-Pb-181,180.99671(17)#,,207.2(1) +82-Pb-182,181.992676(18),,207.2(1) +82-Pb-183,182.99193(33)#,,207.2(1) +82-Pb-184,183.98820(21)#,,207.2(1) +82-Pb-185,184.98758(33)#,,207.2(1) +82-Pb-186,185.98430(50)#,,207.2(1) +82-Pb-187,186.98403(32)#,,207.2(1) +82-Pb-188,187.98106(22)#,,207.2(1) +82-Pb-189,188.98088(29)#,,207.2(1) +82-Pb-190,189.97818(22),,207.2(1) +82-Pb-191,190.97820(23)#,,207.2(1) +82-Pb-192,191.97576(19)#,,207.2(1) +82-Pb-193,192.97608(20)#,,207.2(1) +82-Pb-194,193.97397(16)#,,207.2(1) +82-Pb-195,194.97447(44)#,,207.2(1) +82-Pb-196,195.97271(15)#,,207.2(1) +82-Pb-197,196.97338(11)#,,207.2(1) +82-Pb-198,197.97198(10)#,,207.2(1) +82-Pb-199,198.972910(70),,207.2(1) +82-Pb-200,199.971816(14),,207.2(1) +82-Pb-201,200.972850(30),,207.2(1) +82-Pb-202,201.972144(11),,207.2(1) +82-Pb-203,202.973375(7),,207.2(1) +82-Pb-204,203.973029(3),1.4(1),207.2(1) +82-Pb-205,204.974467(3),,207.2(1) +82-Pb-206,205.974449(3),24.1(1),207.2(1) +82-Pb-207,206.975881(3),22.1(1),207.2(1) +82-Pb-208,207.976636(3),52.4(1),207.2(1) +82-Pb-209,208.981075(3),,207.2(1) +82-Pb-210,209.984173(3),,207.2(1) +82-Pb-211,210.988731(3),,207.2(1) +82-Pb-212,211.9918875(29),,207.2(1) +82-Pb-213,212.99650(11)#,,207.2(1) +82-Pb-214,213.9997981(27),,207.2(1) +83-Bi-185,184.99771(24)#,,208.98038(2) +83-Bi-186,185.99648(48)#,,208.98038(2) +83-Bi-187,186.99346(41)#,,208.98038(2) +83-Bi-188,187.99217(32)#,,208.98038(2) +83-Bi-189,188.98951(43)#,,208.98038(2) +83-Bi-190,189.98852(39)#,,208.98038(2) +83-Bi-191,190.98605(43)#,,208.98038(2) +83-Bi-192,191.98537(24)#,,208.98038(2) +83-Bi-193,192.98306(37)#,,208.98038(2) +83-Bi-194,193.98275(46)#,,208.98038(2) +83-Bi-195,194.98075(23)#,,208.98038(2) +83-Bi-196,195.98061(22)#,,208.98038(2) +83-Bi-197,196.97893(26),,208.98038(2) +83-Bi-198,197.97902(19),,208.98038(2) +83-Bi-199,198.97758(13),,208.98038(2) +83-Bi-200,199.97814(10),,208.98038(2) +83-Bi-201,200.976970(30),,208.98038(2) +83-Bi-202,201.977670(60),,208.98038(2) +83-Bi-203,202.976868(23),,208.98038(2) +83-Bi-204,203.977805(28),,208.98038(2) +83-Bi-205,204.977375(8),,208.98038(2) +83-Bi-206,205.978483(9),,208.98038(2) +83-Bi-207,206.978455(4),,208.98038(2) +83-Bi-208,207.979727(4),,208.98038(2) +83-Bi-209,208.980383(3),100,208.98038(2) +83-Bi-210,209.984105(3),,208.98038(2) +83-Bi-211,210.987258(6),,208.98038(2) +83-Bi-212,211.991272(3),,208.98038(2) +83-Bi-213,212.994375(8),,208.98038(2) +83-Bi-214,213.998699(12),,208.98038(2) +83-Bi-215,215.00183(10),,208.98038(2) +83-Bi-216,216.00620(11)#,,208.98038(2) +84-Po-190,189.99511(51)#,,[209] +84-Po-191,190.99465(32)#,,[209] +84-Po-192,191.99152(22)#,,[209] +84-Po-193,192.99110(30)#,,[209] +84-Po-194,193.98828(22),,[209] +84-Po-195,194.98805(24)#,,[209] +84-Po-196,195.98551(19)#,,[209] +84-Po-197,196.98557(21)#,,[209] +84-Po-198,197.98334(16)#,,[209] +84-Po-199,198.98360(44)#,,[209] +84-Po-200,199.98174(15)#,,[209] +84-Po-201,200.98221(11)#,,[209] +84-Po-202,201.98070(10)#,,[209] +84-Po-203,202.981410(70),,[209] +84-Po-204,203.980307(14),,[209] +84-Po-205,204.981170(30),,[209] +84-Po-206,205.980465(11),,[209] +84-Po-207,206.981578(8),,[209] +84-Po-208,207.981231(3),,[209] +84-Po-209,208.982416(3),,[209] +84-Po-210,209.982857(3),,[209] +84-Po-211,210.986637(3),,[209] +84-Po-212,211.988852(3),,[209] +84-Po-213,212.992843(4),,[209] +84-Po-214,213.995186(3),,[209] +84-Po-215,214.999415(3),,[209] +84-Po-216,216.0019052(29),,[209] +84-Po-217,217.00625(11)#,,[209] +84-Po-218,218.0089658(27),,[209] +85-At-193,193.00019(43)#,,[210] +85-At-194,193.99897(43)#,,[210] +85-At-195,194.99655(43)#,,[210] +85-At-196,195.99570(25)#,,[210] +85-At-197,196.99329(38)#,,[210] +85-At-198,197.99275(46)#,,[210] +85-At-199,198.99063(24)#,,[210] +85-At-200,199.99029(22)#,,[210] +85-At-201,200.98849(26),,[210] +85-At-202,201.98845(19),,[210] +85-At-203,202.98685(13),,[210] +85-At-204,203.98726(10),,[210] +85-At-205,204.986040(30),,[210] +85-At-206,205.986600(60),,[210] +85-At-207,206.985776(23),,[210] +85-At-208,207.986583(28),,[210] +85-At-209,208.986159(9),,[210] +85-At-210,209.987131(9),,[210] +85-At-211,210.987481(4),,[210] +85-At-212,211.990735(4),,[210] +85-At-213,212.992921(6),,[210] +85-At-214,213.996356(5),,[210] +85-At-215,214.998641(8),,[210] +85-At-216,216.002409(5),,[210] +85-At-217,217.004710(8),,[210] +85-At-218,218.008681(13),,[210] +85-At-219,219.011300(90),,[210] +85-At-220,220.01530(12)#,,[210] +85-At-221,221.01814(32)#,,[210] +85-At-222,222.02233(32)#,,[210] +85-At-223,223.02534(43)#,,[210] +86-Rn-196,196.00231(22)#,,[222] +86-Rn-197,197.00166(30)#,,[222] +86-Rn-198,197.99878(22),,[222] +86-Rn-199,198.99831(24)#,,[222] +86-Rn-200,199.99568(19)#,,[222] +86-Rn-201,200.99554(21)#,,[222] +86-Rn-202,201.99322(16)#,,[222] +86-Rn-203,202.99332(44)#,,[222] +86-Rn-204,203.99137(15)#,,[222] +86-Rn-205,204.99167(12)#,,[222] +86-Rn-206,205.99016(10)#,,[222] +86-Rn-207,206.990730(70),,[222] +86-Rn-208,207.989631(14),,[222] +86-Rn-209,208.990380(30),,[222] +86-Rn-210,209.989680(11),,[222] +86-Rn-211,210.990585(8),,[222] +86-Rn-212,211.990689(4),,[222] +86-Rn-213,212.993868(8),,[222] +86-Rn-214,213.995346(10),,[222] +86-Rn-215,214.998729(9),,[222] +86-Rn-216,216.000258(8),,[222] +86-Rn-217,217.003915(5),,[222] +86-Rn-218,218.005586(4),,[222] +86-Rn-219,219.009475(3),,[222] +86-Rn-220,220.0113841(29),,[222] +86-Rn-221,221.01546(11)#,,[222] +86-Rn-222,222.0175705(27),,[222] +86-Rn-223,223.02179(32)#,,[222] +86-Rn-224,224.02409(32)#,,[222] +86-Rn-225,225.02844(32)#,,[222] +86-Rn-226,226.03089(43)#,,[222] +86-Rn-227,227.03541(45)#,,[222] +86-Rn-228,228.03808(50)#,,[222] +87-Fr-200,200.00650(25)#,,[223] +87-Fr-201,201.00399(38)#,,[223] +87-Fr-202,202.00329(46)#,,[223] +87-Fr-203,203.00105(25)#,,[223] +87-Fr-204,204.00059(22)#,,[223] +87-Fr-205,204.99866(25),,[223] +87-Fr-206,205.99849(19),,[223] +87-Fr-207,206.99686(12),,[223] +87-Fr-208,207.997130(80),,[223] +87-Fr-209,208.995920(30),,[223] +87-Fr-210,209.996398(23),,[223] +87-Fr-211,210.995529(22),,[223] +87-Fr-212,211.996195(28),,[223] +87-Fr-213,212.996175(9),,[223] +87-Fr-214,213.998955(10),,[223] +87-Fr-215,215.000326(8),,[223] +87-Fr-216,216.003188(14),,[223] +87-Fr-217,217.004616(8),,[223] +87-Fr-218,218.007563(6),,[223] +87-Fr-219,219.009241(8),,[223] +87-Fr-220,220.012313(5),,[223] +87-Fr-221,221.014246(8),,[223] +87-Fr-222,222.017544(23),,[223] +87-Fr-223,223.0197307(29),,[223] +87-Fr-224,224.023240(50),,[223] +87-Fr-225,225.025607(11),,[223] +87-Fr-226,226.02934(10),,[223] +87-Fr-227,227.03183(10),,[223] +87-Fr-228,228.03572(22)#,,[223] +87-Fr-229,229.03843(39)#,,[223] +87-Fr-230,230.04251(48)#,,[223] +87-Fr-231,231.04541(56)#,,[223] +87-Fr-232,232.04965(69)#,,[223] +88-Ra-203,203.00921(25)#,,[226] +88-Ra-204,204.00648(19)#,,[226] +88-Ra-205,205.00619(22)#,,[226] +88-Ra-206,206.00378(16)#,,[226] +88-Ra-207,207.00373(45)#,,[226] +88-Ra-208,208.00178(15)#,,[226] +88-Ra-209,209.00194(13)#,,[226] +88-Ra-210,210.00045(10)#,,[226] +88-Ra-211,211.000890(70),,[226] +88-Ra-212,211.999783(15),,[226] +88-Ra-213,213.000350(30),,[226] +88-Ra-214,214.000091(12),,[226] +88-Ra-215,215.002704(9),,[226] +88-Ra-216,216.003518(10),,[226] +88-Ra-217,217.006306(10),,[226] +88-Ra-218,218.007124(12),,[226] +88-Ra-219,219.010069(9),,[226] +88-Ra-220,220.011015(11),,[226] +88-Ra-221,221.013908(8),,[226] +88-Ra-222,222.015362(5),,[226] +88-Ra-223,223.018497(3),,[226] +88-Ra-224,224.0202020(29),,[226] +88-Ra-225,225.023604(3),,[226] +88-Ra-226,226.0254026(27),,[226] +88-Ra-227,227.0291707(27),,[226] +88-Ra-228,228.0310641(27),,[226] +88-Ra-229,229.034820(70),,[226] +88-Ra-230,230.037080(40),,[226] +88-Ra-231,231.04122(32)#,,[226] +88-Ra-232,232.04369(39)#,,[226] +88-Ra-233,233.04800(50)#,,[226] +88-Ra-234,234.05055(58)#,,[226] +89-Ac-207,207.01209(25)#,,[227] +89-Ac-208,208.01149(22)#,,[227] +89-Ac-209,209.00957(26),,[227] +89-Ac-210,210.00926(20),,[227] +89-Ac-211,211.00765(14),,[227] +89-Ac-212,212.00781(10),,[227] +89-Ac-213,213.006570(60),,[227] +89-Ac-214,214.006890(60),,[227] +89-Ac-215,215.006450(60),,[227] +89-Ac-216,216.008721(29),,[227] +89-Ac-217,217.009333(14),,[227] +89-Ac-218,218.011630(50),,[227] +89-Ac-219,219.012400(50),,[227] +89-Ac-220,220.014750(60),,[227] +89-Ac-221,221.015580(50),,[227] +89-Ac-222,222.017829(6),,[227] +89-Ac-223,223.019126(8),,[227] +89-Ac-224,224.021708(5),,[227] +89-Ac-225,225.023221(8),,[227] +89-Ac-226,226.026090(4),,[227] +89-Ac-227,227.0277470(29),,[227] +89-Ac-228,228.0310148(28),,[227] +89-Ac-229,229.032930(50),,[227] +89-Ac-230,230.03603(11),,[227] +89-Ac-231,231.03855(11),,[227] +89-Ac-232,232.04202(11),,[227] +89-Ac-233,233.04455(32)#,,[227] +89-Ac-234,234.04842(43)#,,[227] +89-Ac-235,235.05110(45)#,,[227] +89-Ac-236,236.05518(54)#,,[227] +90-Th-210,210.01503(17)#,,232.0381(1) +90-Th-211,211.01486(45)#,,232.0381(1) +90-Th-212,212.01292(15)#,,232.0381(1) +90-Th-213,213.01296(14)#,,232.0381(1) +90-Th-214,214.01145(10)#,,232.0381(1) +90-Th-215,215.011730(70),,232.0381(1) +90-Th-216,216.011051(17),,232.0381(1) +90-Th-217,217.013070(30),,232.0381(1) +90-Th-218,218.013268(15),,232.0381(1) +90-Th-219,219.015520(50),,232.0381(1) +90-Th-220,220.015733(24),,232.0381(1) +90-Th-221,221.018171(11),,232.0381(1) +90-Th-222,222.018454(14),,232.0381(1) +90-Th-223,223.020795(10),,232.0381(1) +90-Th-224,224.021459(13),,232.0381(1) +90-Th-225,225.023941(8),,232.0381(1) +90-Th-226,226.024891(5),,232.0381(1) +90-Th-227,227.027699(3),,232.0381(1) +90-Th-228,228.0287313(29),,232.0381(1) +90-Th-229,229.031755(3),,232.0381(1) +90-Th-230,230.0331266(22),,232.0381(1) +90-Th-231,231.0362971(22),,232.0381(1) +90-Th-232,232.0380504(22),100,232.0381(1) +90-Th-233,233.0415769(22),,232.0381(1) +90-Th-234,234.043595(4),,232.0381(1) +90-Th-235,235.047500(50),,232.0381(1) +90-Th-236,236.04971(32)#,,232.0381(1) +90-Th-237,237.05389(39)#,,232.0381(1) +90-Th-238,238.05624(39)#,,232.0381(1) +91-Pa-213,213.02118(27),,231.03588(2) +91-Pa-214,214.02074(21),,231.03588(2) +91-Pa-215,215.01910(15),,231.03588(2) +91-Pa-216,216.01911(11),,231.03588(2) +91-Pa-217,217.018290(80),,231.03588(2) +91-Pa-218,218.020010(80),,231.03588(2) +91-Pa-219,219.019880(80),,231.03588(2) +91-Pa-220,220.021880(60),,231.03588(2) +91-Pa-221,221.021860(60),,231.03588(2) +91-Pa-222,222.023730(80)#,,231.03588(2) +91-Pa-223,223.023960(80),,231.03588(2) +91-Pa-224,224.025610(60),,231.03588(2) +91-Pa-225,225.026120(80),,231.03588(2) +91-Pa-226,226.027933(13),,231.03588(2) +91-Pa-227,227.028793(8),,231.03588(2) +91-Pa-228,228.031037(5),,231.03588(2) +91-Pa-229,229.032089(10),,231.03588(2) +91-Pa-230,230.034533(4),,231.03588(2) +91-Pa-231,231.0358789(28),100,231.03588(2) +91-Pa-232,232.038582(8),,231.03588(2) +91-Pa-233,233.0402402(24),,231.03588(2) +91-Pa-234,234.043302(5),,231.03588(2) +91-Pa-235,235.045440(50),,231.03588(2) +91-Pa-236,236.04868(21),,231.03588(2) +91-Pa-237,237.05114(11),,231.03588(2) +91-Pa-238,238.054500(60),,231.03588(2) +91-Pa-239,239.05713(32)#,,231.03588(2) +91-Pa-240,240.06098(32)#,,231.03588(2) +92-U-218,218.02349(10)#,,238.02891(3) +92-U-219,219.024920(90),,238.02891(3) +92-U-220,220.02471(22)#,,238.02891(3) +92-U-221,221.02635(11)#,,238.02891(3) +92-U-222,222.02607(11)#,,238.02891(3) +92-U-223,223.027720(80),,238.02891(3) +92-U-224,224.027590(27),,238.02891(3) +92-U-225,225.029380(50),,238.02891(3) +92-U-226,226.029340(20),,238.02891(3) +92-U-227,227.031140(18),,238.02891(3) +92-U-228,228.031366(17),,238.02891(3) +92-U-229,229.033496(9),,238.02891(3) +92-U-230,230.033927(5),,238.02891(3) +92-U-231,231.036289(4),,238.02891(3) +92-U-232,232.0371463(29),,238.02891(3) +92-U-233,233.039628(3),,238.02891(3) +92-U-234,234.0409456(21),0.0055(2),238.02891(3) +92-U-235,235.0439231(21),0.7200(51),238.02891(3) +92-U-236,236.0455619(21),,238.02891(3) +92-U-237,237.0487240(21),,238.02891(3) +92-U-238,238.0507826(21),99.2745(106),238.02891(3) +92-U-239,239.0542878(21),,238.02891(3) +92-U-240,240.056586(6),,238.02891(3) +92-U-241,241.06033(32)#,,238.02891(3) +92-U-242,242.06293(22)#,,238.02891(3) +93-Np-225,225.033900(80),,[237] +93-Np-226,226.03513(10)#,,[237] +93-Np-227,227.034960(80),,[237] +93-Np-228,228.03618(21)#,,[237] +93-Np-229,229.036250(90),,[237] +93-Np-230,230.037810(60),,[237] +93-Np-231,231.038230(50),,[237] +93-Np-232,232.04010(11)#,,[237] +93-Np-233,233.040730(60),,[237] +93-Np-234,234.042889(9),,[237] +93-Np-235,235.0440559(23),,[237] +93-Np-236,236.046560(50),,[237] +93-Np-237,237.0481673(21),,[237] +93-Np-238,238.0509405(21),,[237] +93-Np-239,239.0529314(23),,[237] +93-Np-240,240.056169(16),,[237] +93-Np-241,241.058250(80),,[237] +93-Np-242,242.06164(22)#,,[237] +93-Np-243,243.064270(30)#,,[237] +93-Np-244,244.06785(32)#,,[237] +94-Pu-228,228.038730(30),,[244] +94-Pu-229,229.040140(80),,[244] +94-Pu-230,230.039646(26),,[244] +94-Pu-231,231.04126(11)#,,[244] +94-Pu-232,232.041179(20),,[244] +94-Pu-233,233.042990(50),,[244] +94-Pu-234,234.043305(8),,[244] +94-Pu-235,235.045282(22),,[244] +94-Pu-236,236.0460481(29),,[244] +94-Pu-237,237.0484038(25),,[244] +94-Pu-238,238.0495534(21),,[244] +94-Pu-239,239.0521565(21),,[244] +94-Pu-240,240.0538075(21),,[244] +94-Pu-241,241.0568453(21),,[244] +94-Pu-242,242.0587368(21),,[244] +94-Pu-243,243.061997(3),,[244] +94-Pu-244,244.064198(5),,[244] +94-Pu-245,245.067739(15),,[244] +94-Pu-246,246.070198(16),,[244] +94-Pu-247,247.07407(32)#,,[244] +95-Am-231,231.04556(32)#,,[243] +95-Am-232,232.04659(32)#,,[243] +95-Am-233,233.04647(23)#,,[243] +95-Am-234,234.04779(22)#,,[243] +95-Am-235,235.04803(22)#,,[243] +95-Am-236,236.04957(11)#,,[243] +95-Am-237,237.049970(60),,[243] +95-Am-238,238.051980(50),,[243] +95-Am-239,239.053018(3),,[243] +95-Am-240,240.055288(15),,[243] +95-Am-241,241.0568229(21),,[243] +95-Am-242,242.0595430(21),,[243] +95-Am-243,243.0613727(23),,[243] +95-Am-244,244.0642794(23),,[243] +95-Am-245,245.066445(4),,[243] +95-Am-246,246.069768(20),,[243] +95-Am-247,247.07209(11)#,,[243] +95-Am-248,248.07575(22)#,,[243] +95-Am-249,249.07848(32)#,,[243] +96-Cm-233,233.05080(43)#,,[247] +96-Cm-234,234.05024(32)#,,[247] +96-Cm-235,235.05159(24)#,,[247] +96-Cm-236,236.05141(22)#,,[247] +96-Cm-237,237.05289(22)#,,[247] +96-Cm-238,238.053020(40),,[247] +96-Cm-239,239.05495(11)#,,[247] +96-Cm-240,240.0555190(29),,[247] +96-Cm-241,241.0576467(24),,[247] +96-Cm-242,242.0588293(21),,[247] +96-Cm-243,243.0613822(24),,[247] +96-Cm-244,244.0627463(21),,[247] +96-Cm-245,245.0654856(29),,[247] +96-Cm-246,246.0672176(24),,[247] +96-Cm-247,247.070347(5),,[247] +96-Cm-248,248.072342(5),,[247] +96-Cm-249,249.075947(5),,[247] +96-Cm-250,250.078351(12),,[247] +96-Cm-251,251.082278(24),,[247] +96-Cm-252,252.08487(32)#,,[247] +97-Bk-235,235.05658(43)#,,[247] +97-Bk-236,236.05733(43)#,,[247] +97-Bk-237,237.05713(32)#,,[247] +97-Bk-238,238.05827(31)#,,[247] +97-Bk-239,239.05836(31)#,,[247] +97-Bk-240,240.05975(16)#,,[247] +97-Bk-241,241.06022(22)#,,[247] +97-Bk-242,242.06205(22)#,,[247] +97-Bk-243,243.063002(5),,[247] +97-Bk-244,244.065168(16),,[247] +97-Bk-245,245.0663554(26),,[247] +97-Bk-246,246.068670(60),,[247] +97-Bk-247,247.070299(6),,[247] +97-Bk-248,248.073080(80)#,,[247] +97-Bk-249,249.074980(3),,[247] +97-Bk-250,250.078311(4),,[247] +97-Bk-251,251.080753(12),,[247] +97-Bk-252,252.08430(22)#,,[247] +97-Bk-253,253.08688(39)#,,[247] +97-Bk-254,254.09060(32)#,,[247] +98-Cf-237,237.06207(54)#,,[251] +98-Cf-238,238.06141(43)#,,[251] +98-Cf-239,239.06258(25)#,,[251] +98-Cf-240,240.06230(22)#,,[251] +98-Cf-241,241.06372(27)#,,[251] +98-Cf-242,242.063690(40),,[251] +98-Cf-243,243.06542(15)#,,[251] +98-Cf-244,244.065990(4),,[251] +98-Cf-245,245.06804(11)#,,[251] +98-Cf-246,246.0687988(24),,[251] +98-Cf-247,247.070992(9),,[251] +98-Cf-248,248.072178(6),,[251] +98-Cf-249,249.074847(3),,[251] +98-Cf-250,250.0764000(24),,[251] +98-Cf-251,251.079580(5),,[251] +98-Cf-252,252.081620(5),,[251] +98-Cf-253,253.085127(7),,[251] +98-Cf-254,254.087316(13),,[251] +98-Cf-255,255.09104(22)#,,[251] +98-Cf-256,256.09344(32)#,,[251] +99-Es-240,240.06892(43)#,,[252] +99-Es-241,241.06866(32)#,,[252] +99-Es-242,242.06970(35)#,,[252] +99-Es-243,243.06963(31)#,,[252] +99-Es-244,244.07097(20)#,,[252] +99-Es-245,245.07132(22)#,,[252] +99-Es-246,246.07297(24)#,,[252] +99-Es-247,247.073650(30)#,,[252] +99-Es-248,248.075460(60)#,,[252] +99-Es-249,249.076410(30)#,,[252] +99-Es-250,250.07865(11)#,,[252] +99-Es-251,251.079984(7),,[252] +99-Es-252,252.082970(50),,[252] +99-Es-253,253.084818(3),,[252] +99-Es-254,254.088016(5),,[252] +99-Es-255,255.090266(12),,[252] +99-Es-256,256.09359(11)#,,[252] +99-Es-257,257.09598(44)#,,[252] +100-Fm-242,242.07343(43)#,,[257] +100-Fm-243,243.07451(25)#,,[257] +100-Fm-244,244.07408(31)#,,[257] +100-Fm-245,245.07538(30)#,,[257] +100-Fm-246,246.075280(40),,[257] +100-Fm-247,247.07682(16)#,,[257] +100-Fm-248,248.077184(13),,[257] +100-Fm-249,249.07902(15)#,,[257] +100-Fm-250,250.079515(13),,[257] +100-Fm-251,251.081566(9),,[257] +100-Fm-252,252.082460(6),,[257] +100-Fm-253,253.085176(5),,[257] +100-Fm-254,254.086848(3),,[257] +100-Fm-255,255.089955(5),,[257] +100-Fm-256,256.091767(8),,[257] +100-Fm-257,257.095099(7),,[257] +100-Fm-258,258.09707(22)#,,[257] +100-Fm-259,259.10059(30)#,,[257] +101-Md-245,245.08102(40)#,,[258] +101-Md-246,246.08193(41)#,,[258] +101-Md-247,247.08180(39)#,,[258] +101-Md-248,248.08291(26)#,,[258] +101-Md-249,249.08300(24)#,,[258] +101-Md-250,250.08449(32)#,,[258] +101-Md-251,251.08492(22)#,,[258] +101-Md-252,252.08663(21)#,,[258] +101-Md-253,253.08728(22)#,,[258] +101-Md-254,254.08973(11)#,,[258] +101-Md-255,255.091075(8),,[258] +101-Md-256,256.094050(60),,[258] +101-Md-257,257.095535(4),,[258] +101-Md-258,258.098425(5),,[258] +101-Md-259,259.10050(22)#,,[258] +101-Md-260,260.10365(34)#,,[258] +102-No-249,249.08782(37)#,,[259] +102-No-250,250.08749(22)#,,[259] +102-No-251,251.08896(19)#,,[259] +102-No-252,252.088966(14),,[259] +102-No-253,253.09065(26)#,,[259] +102-No-254,254.090949(19),,[259] +102-No-255,255.093232(13),,[259] +102-No-256,256.094276(9),,[259] +102-No-257,257.096850(30),,[259] +102-No-258,258.09820(22)#,,[259] +102-No-259,259.10102(11)#,,[259] +102-No-260,260.10264(22)#,,[259] +102-No-261,261.10574(32)#,,[259] +102-No-262,262.10752(58)#,,[259] +103-Lr-251,251.09436(32)#,,[262] +103-Lr-252,252.09533(32)#,,[262] +103-Lr-253,253.09526(24)#,,[262] +103-Lr-254,254.09659(36)#,,[262] +103-Lr-255,255.09677(22)#,,[262] +103-Lr-256,256.09876(24)#,,[262] +103-Lr-257,257.09961(22)#,,[262] +103-Lr-258,258.10188(11)#,,[262] +103-Lr-259,259.102990(80)#,,[262] +103-Lr-260,260.10557(12)#,,[262] +103-Lr-261,261.10694(22)#,,[262] +103-Lr-262,262.10969(32)#,,[262] +103-Lr-263,263.11139(39)#,,[262] +104-Rf-253,253.10068(49)#,,[261] +104-Rf-254,254.10017(31)#,,[261] +104-Rf-255,255.10149(22)#,,[261] +104-Rf-256,256.101180(29),,[261] +104-Rf-257,257.10307(29)#,,[261] +104-Rf-258,258.10357(22)#,,[261] +104-Rf-259,259.105630(80)#,,[261] +104-Rf-260,260.10643(22)#,,[261] +104-Rf-261,261.10875(11)#,,[261] +104-Rf-262,262.10992(30)#,,[261] +104-Rf-263,263.11254(20)#,,[261] +104-Rf-264,264.11398(48)#,,[261] +105-Db-255,255.10740(45)#,,[262] +105-Db-256,256.10811(39)#,,[262] +105-Db-257,257.10786(25)#,,[262] +105-Db-258,258.10944(37)#,,[262] +105-Db-259,259.10972(31)#,,[262] +105-Db-260,260.11143(25)#,,[262] +105-Db-261,261.11211(25)#,,[262] +105-Db-262,262.11415(20)#,,[262] +105-Db-263,263.11508(18)#,,[262] +105-Db-264,264.11747(25)#,,[262] +105-Db-265,265.11866(30)#,,[262] +106-Sg-258,258.11315(45)#,,[266] +106-Sg-259,259.11465(23)#,,[266] +106-Sg-260,260.114440(40),,[266] +106-Sg-261,261.11620(30)#,,[266] +106-Sg-262,262.11648(30)#,,[266] +106-Sg-263,263.11831(13)#,,[266] +106-Sg-264,264.11892(30)#,,[266] +106-Sg-265,265.12107(15)#,,[266] +106-Sg-266,266.12193(31)#,,[266] +107-Bh-260,260.12180(66)#,,[264] +107-Bh-261,261.12180(26)#,,[264] +107-Bh-262,262.12301(40)#,,[264] +107-Bh-263,263.12315(45)#,,[264] +107-Bh-264,264.12473(30)#,,[264] +107-Bh-265,265.12520(41)#,,[264] +107-Bh-266,266.12701(38)#,,[264] +107-Bh-267,267.12774(37)#,,[264] +108-Hs-263,263.12871(39)#,,[277] +108-Hs-264,264.128410(50),,[277] +108-Hs-265,265.13000(32)#,,[277] +108-Hs-266,266.13004(44)#,,[277] +108-Hs-267,267.13177(11)#,,[277] +108-Hs-268,268.13216(44)#,,[277] +108-Hs-269,269.13411(46)#,,[277] +108-Hs-277,,,[277] +109-Mt-265,265.13657(50)#,,[268] +109-Mt-266,266.13794(38)#,,[268] +109-Mt-267,267.13753(62)#,,[268] +109-Mt-268,268.13882(34)#,,[268] +109-Mt-269,269.13911(59)#,,[268] +109-Mt-270,270.14072(66)#,,[268] +109-Mt-271,271.14123(65)#,,[268] +110-Ds-267,267.14396(41)#,,[281] +110-Ds-268,268.14353(54)#,,[281] +110-Ds-269,269.14514(31)#,,[281] +110-Ds-270,270.14463(70)#,,[281] +110-Ds-271,271.14608(20)#,,[281] +110-Ds-272,272.14631(70)#,,[281] +110-Ds-273,273.14925(47)#,,[281] +110-Ds-281,,,[281] +111-Rg-272,272.15348(36)#,,[272] +112-Cn-285,,,[285] +113-Nh-286,,,[286] +114-Fl-289,,,[289] +115-Mc-289,,,[289] +116-Lv-293,,,[293] +117-Ts-294,,,[294] +118-Og-294,,,[294]\ +""" diff --git a/periodictable/nsf.py b/periodictable/nsf.py index 4030088..ef35a9b 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -75,13 +75,24 @@ For private tables use :func:`init` to set the data. The neutron scattering information table is reproduced from the Atomic -Institute for Austrian Universities\ [#Rauch2003]_ (retrieve March 2008): +Institute for Austrian Universities\ [#Rauch2003]_ (retrieved March 2008): -http://www.ati.ac.at/~neutropt/scattering/table.html + ``_ The above site has references to the published values for every entry in the table. We have included these in the documentation directory -associated with the periodictable package. +within the periodictable source package. Some typographical errors have +been fixed. In particular, Zn-70 has b_c listed as 6.9 in the table, +but 6.0 in the source materials for the table. + +Alternative tables from Sears\ [#Sears1992]\ [#Sears2006] and Dawidowski, +et al.\ [#Dawidowski2013] make different choices for the recommended values. +These are noted in periodictable issue #59 +``_ +with changes from Sears to Rauch +`(a) `__ +and from Rauch to Dawidowski +`(b) `__. .. Note: @@ -98,7 +109,7 @@ .. [#Rauch2000] Rauch, H. and Waschkowski, W. (2000) Neutron scattering lengths. Schopper, H. (ed.). SpringerMaterials - The Landolt-Börnstein Database (http://www.springermaterials.com). - doi: 10.1007/10499706_6 + doi:10.1007/10499706_6 .. [#Koester1991] Koester, L., Rauch, H., Seymann. E. (1991) Atomic Data Nuclear Data Tables 49, 65. doi:10.1016/0092-640X(91)90012-S @@ -113,7 +124,7 @@ In Prince, E. ed. Intl. Tables for Crystallography C. Kluwer Academic Publishers. pp 444-454. (https://it.iucr.org/Cb/ch4o4v0001/sec4o4o4/) - doi: 10.1107/97809553602060000103 + doi:10.1107/97809553602060000103 .. [#Sears1992] Sears, V.F. (1992) Neutron scattering lengths and cross sections. @@ -130,20 +141,25 @@ .. [#Smith2006] Smith, G.S. and Majkrzak, C.M. (2006) 2.9 Neutron reflectometry. In E. Prince ed. Intl. Tables for Crystallography C. - Wiley InterScience. pp 126-146. doi: 10.1107/97809553602060000584 + Wiley InterScience. pp 126-146. doi:10.1107/97809553602060000584 .. [#Glinka2011] Glinka, C.J. (2011) Incoherent Neutron Scattering from Multi-element Materials. - J. Appl. Cryst. 44, 618-624. doi: 10.1107/S0021889811008223 + J. Appl. Cryst. 44, 618-624. doi:10.1107/S0021889811008223 + +.. [#Dawidowski2013] Dawidowski, J., Granada, J. R., Santisteban, + J. R., Cantargi, F., & Palomino, L. A. R. (2013). + Appendix—Neutron Scattering Lengths and Cross Sections. + In F. Fernandez-Alonso & D. L. Price (Eds.), + Experimental Methods in the Physical Sciences (Vol. 44, pp. 471–528). + Academic Press. doi:10.1016/B978-0-12-398374-9.09989-7 """ -from __future__ import print_function - import numpy as np from numpy import sqrt, pi, asarray, inf from .core import Element, Isotope, default_table from .constants import (avogadro_number, plancks_constant, electron_volt, neutron_mass, atomic_mass_constant) -from .util import require_keywords +from .util import require_keywords, parse_uncertainty __all__ = ['init', 'Neutron', 'neutron_energy', 'neutron_wavelength', @@ -303,7 +319,8 @@ class Neutron(object): * absorption (barn) Absorption cross section $\sigma_a$ at 1.798 |Ang|. Scale to your beam by dividing by periodictable.nsf.ABSORPTION_WAVELENGTH and multiplying - by your wavelength. + by your wavelength. This wavelength corresponds to a neutron velocity + of 2200 m/s and neutron energy of 25.3 meV. * b_c_complex (fm) Complex coherent scattering length derived from the tabulated @@ -453,9 +470,8 @@ def sld(self, wavelength=ABSORPTION_WAVELENGTH): See :func:`neutron_scattering` for details. """ # TODO: deprecate in favour of neutron_scattering(el) - # TODO: return NaN instead of None for missing sld. - # This should happen automatically if the cross sections are NaN in - # the table. + if not self.has_sld(): + return None, None, None return self.scattering(wavelength=wavelength)[0] @require_keywords @@ -1254,7 +1270,7 @@ def sld_plot(table=None): # coherent, incoherent, total # The coherent and incoherent scattering cross-sections in barns. # absorption -# The thermal absorption cross section in barns at 1.798 Angstroms/25.30 meV. +# The thermal absorption cross section in barns at 1.798 A; 25.30 meV; 2200 m/s # # Numbers in parenthesis represents uncertainty. # Numbers followed by '*' are estimated. @@ -1363,7 +1379,7 @@ def sld_plot(table=None): 30-Zn-66,27.8,0,5.98(5),,,,4.48(8),0,4.48(8),0.62(6) 30-Zn-67,4.1,5/2,7.58(8),5.8(5),10.1(7),+/-,7.18(15),0.28(3),7.46(15),6.8(8) 30-Zn-68,18.6,0,6.04(3),,,,4.57(5),0,4.57(5),1.1(1) -30-Zn-70,0.62,0,6.9(1.0)*,,,,4.5(1.5),0,4.5(1.5),0.092(5) +30-Zn-70,0.62,0,6.0(1.0)*,,,,4.5(1.5),0,4.5(1.5),0.092(5) 31-Ga,,,7.288(2),,,,6.675(4),0.16(3),6.83(3),2.75(3) 31-Ga-69,60,3/2,8.043(16),6.3(2),10.5(4),+/-,7.80(4),0.091(11),7.89(4),2.18(5) 31-Ga-71,40,3/2,6.170(11),5.5(6),7.8(1),+/-,5.15(5),0.084(8),5.23(5),3.61(10) @@ -1401,7 +1417,7 @@ def sld_plot(table=None): 38-Sr-88,82.6,0,7.16(6),,,,6.42(11),0,6.42(11),0.058(4) 39-Y-89,100,1/2,7.75(2),8.4(2),5.8(5),+/-,7.55(4),0.15(8),7.70(9),1.28(2) 40-Zr,,,7.16(3),,,,6.44(5),0.02(15),6.46(14),0.185(3) -40-Zr-90,51.48,0,6.5(1),,,,5.1(2),0,5.1(2),0.011(59 +40-Zr-90,51.48,0,6.5(1),,,,5.1(2),0,5.1(2),0.011(5) 40-Zr-91,11.23,5/2,8.8(1),7.9(2),10.1(2),+/-,9.5(2),0.15(4),9.7(2),1.17(10) 40-Zr-92,17.11,0,7.5(2),,,,6.9(4),0,6.9(4),0.22(6) 40-Zr-94,17.4,0,8.3(2),,,,8.4(4),0,8.4(4),0.0499(24) @@ -1465,7 +1481,7 @@ def sld_plot(table=None): 52-Te-120,0.09,0,5.3(5),,,,3.5(7),0,3.5(7),2.3(3) 52-Te-122,2.4,0,3.8(2),,,,1.8(2),0,1.8(2),3.4(5) 52-Te-123,0.87,1/2,-0.05(25),-1.2(2),3.5(2),,0.002(3),0.52(5),0.52(5),418.0(30.0) -52-Te-124,4.61,0,7.95(10),,,,8.0(2),0,8.0(2,6.8(1.3) +52-Te-124,4.61,0,7.95(10),,,,8.0(2),0,8.0(2),6.8(1.3) 52-Te-125,6.99,1/2,5.01(8),4.9(2),5.5(2),,3.17(10),0.008(8),3.18(10),1.55(16) 52-Te-126,18.71,0,5.55(7),,,,3.88(10),0,3.88(10),1.04(15) 52-Te-128,31.79,0,5.88(8),,,,4.36(10),0,4.36(10),0.215(8) @@ -1489,7 +1505,7 @@ def sld_plot(table=None): 56-Ba-135,6.59,3/2,4.66(10),,,,2.74(12),0.5(5)*,3.2(5),5.8(9) 56-Ba-136,7.81,0,4.90(8),,,,3.03(10),0,3.03(10),0.68(17) 56-Ba-137,11.32,3/2,6.82(10),,,,5.86(17),0.5(5)*,6.4(5),3.6(2) -56-Ba-138,71.66,0,4.83(8),,,,2.94(10),0,2.94(19),0.27(14) +56-Ba-138,71.66,0,4.83(8),,,,2.94(10),0,2.94(10),0.27(14) 57-La,,,8.24(4),,,,8.53(8),1.13(19),9.66(17),8.97(2) 57-La-138,0.09,5,8.0(2.0)*,,,,8.0(4.0),0.5(5)*,8.5(4.0),57.0(6.0) 57-La-139,99.91,7/2,8.24(4),11.4(3),4.5(4),+/-,8.53(8),1.13(15),9.66(17),8.93(4) @@ -1510,7 +1526,7 @@ def sld_plot(table=None): 61-Pm-147,2.62 Y,7/2,12.6(4),,,,20.0(1.3),1.3(2.0),21.3(1.5),168.4(3.5) 62-Sm,,,0.00(5),,,E,0.422(9),39.0(3.0),39.4(3.0),5922.0(56.0) 62-Sm-144,3.1,0,-3.0(4.0)*,,,,1.0(3.0),0,1.0(3.0),0.7(3) -62-Sm-147,15,7/2,14.0(3.0),,,,25.0(11.0),14.0(19.0.),39.0(16.0),57.0(3.0) +62-Sm-147,15,7/2,14.0(3.0),,,,25.0(11.0),14.0(19.0),39.0(16.0),57.0(3.0) 62-Sm-148,11.2,0,-3.0(4.0)*,,,,1.0(3.0),0,1.0(3.0),2.4(6) 62-Sm-149,13.8,7/2,18.7(28),,,E,63.5(6),137.0(5.0),200.0(5.0),42080.0(400.0) 62-Sm-150,7.4,0,14.0(3.0),,,,25.0(11.0),0,25.0(11.0),104.0(4.0) @@ -1654,22 +1670,14 @@ def sld_plot(table=None): # 63-Eu-151,-2.46,, # 64-Gd-157,-47,-75, - - def fix_number(str): """ Converts strings of the form e.g., 35.24(2)* into numbers without uncertainty. Also accepts a limited range, e.g., <1e-6, which is converted as 1e-6. Missing values are set to 0. """ - if str == '': - return None - idx = str.find('(') - if idx >= 0: - str = str[0:idx] - if str[0] == '<': - str = str[1:] - return float(str) + from .util import parse_uncertainty + return parse_uncertainty(str.replace('<','').replace('*',''))[0] def sld_table(wavelength=1, table=None, isotopes=True): r""" @@ -1690,8 +1698,8 @@ def sld_table(wavelength=1, table=None, isotopes=True): >>> sld_table(wavelength=4.75) # doctest: +ELLIPSIS, +NORMALIZE_WHITESPACE Neutron scattering length density table atom mass density sld imag incoh - H 1.008 0.071 -1.582 0.000 10.691 - 1-H 1.008 0.071 -1.583 0.000 10.691 + H 1.008 0.071 -1.582 0.000 10.690 + 1-H 1.008 0.071 -1.583 0.000 10.690 D 2.014 0.141 2.823 0.000 1.705 T 3.016 0.212 2.027 0.000 0.453 He 4.003 0.122 0.598 0.000 0.035 @@ -1764,7 +1772,7 @@ def energy_dependent_table(table=None): if dep: print(" " + " ".join(dep)) -def _diff(iso, a, b, tol): +def _diff(iso, a, b, tol=0.01): if None in (a, b): if a is not None or b is not None: if a is None and b > tol: @@ -1777,9 +1785,7 @@ def _diff(iso, a, b, tol): print("%10s %8.2f %8.2f %5.1f%%" % (iso, a, b, (100*(a-b)/b if b != 0 else inf))) -def compare(fn1, fn2, table=None, tol=None): - if tol is None: - tol = 0.01 +def compare(fn1, fn2, table=None, tol=0.01): table = default_table(table) for el in table: try: @@ -1875,7 +1881,6 @@ def coherent_comparison_table(table=None, tol=None): Sc 18.40 19.00 -3.2% 45-Sc 18.40 19.00 -3.2% 65-Cu 13.08 14.10 -7.2% - 70-Zn 5.98 4.50 33.0% 84-Sr 3.14 6.00 -47.6% ... @@ -1940,7 +1945,6 @@ def incoherent_comparison_table(table=None, tol=None): Sc 4.50 5.10 -11.8% 45-Sc 4.50 5.10 -11.8% 65-Cu 0.40 1.42 -71.7% - 70-Zn 0.00 -1.48 -100.0% 84-Sr 0.00 2.86 -100.0% ... diff --git a/periodictable/util.py b/periodictable/util.py index f7917b1..2f9c25e 100644 --- a/periodictable/util.py +++ b/periodictable/util.py @@ -3,6 +3,55 @@ """ Helper functions """ +from math import sqrt + +def parse_uncertainty(s): + """ + Given a floating point value plus uncertainty return the pair (val, unc). + + Format is val, val(unc), [nominal] or [low,high]. + + The val(unc) form is like 23.0035(12), but also 23(1), 23.0(1.0), or + maybe even 23(1.0). This parser does not handle exponential notation + such as 1.032(4)E10 + + The nominal form has zero uncertainty, as does a bare value. + + The [low,high] form is assumed to be a rectangular distribution of 1-sigma + equivalent width (high-low)/sqrt(12). + + An empty string is returned as None,None rather than 0,inf. + """ + if s == "": # missing + # TODO: maybe 0 +/- inf ? + return None, None + + # Parse [nominal] or [low,high] + if s.startswith('['): + s = s[1:-1] + parts = s.split(',') + if len(parts) > 1: + low, high = float(parts[0]), float(parts[1]) + # Use equivalent 1-sigma width for a rectangular distribution + return (high+low)/2, (high-low)/sqrt(12) + else: + return float(parts[0]), 0 + + # Parse value(unc) with perhaps '#' at the end + parts = s.split('(') + if len(parts) > 1: + # Split the value and uncertainty. + value, unc = parts[0], parts[1].split(')')[0] + # Count digits after the decimal for value and produce + # 0.00...0{unc} with the right number of zeros. + # e.g., 23.0035(12) but not 23(1) or 23.0(1.0) or 23(1.0) + if '.' not in unc and '.' in value: + zeros = len(value.split('.')[1]) - len(unc) + unc = "0." + ("0"*zeros) + unc + return float(value), float(unc) + + # Plain value with no uncertainty + return float(s), 0 def cell_volume(a=None, b=None, c=None, alpha=None, beta=None, gamma=None): r""" diff --git a/periodictable/xsf.py b/periodictable/xsf.py index 4fb94d3..bcc528d 100644 --- a/periodictable/xsf.py +++ b/periodictable/xsf.py @@ -415,7 +415,7 @@ def xray_sld(compound, density=None, natural_density=None, mass += element.mass*quantity f1, f2 = element.xray.scattering_factors(energy=energy) if f1 is None: - raise ValueError('X-ray scattering factors not available for '+str(element)) + raise ValueError(f"X-ray scattering factors not available for {element}") #print element, f1, f2, wavelength sum_f1 += f1*quantity sum_f2 += f2*quantity @@ -695,7 +695,7 @@ def sld_table(wavelength=None, table=None): He 1.03 0.00 Li 3.92 0.00 Be 13.93 0.01 - B 18.40 0.01 + B 18.40 0.02 C 18.71 0.03 N 6.88 0.02 O 9.74 0.04 diff --git a/test/test_formulas.py b/test/test_formulas.py index 3d890c3..eda94de 100644 --- a/test/test_formulas.py +++ b/test/test_formulas.py @@ -191,22 +191,28 @@ def test(): # layers and mixtures check_formula(formula('1mm Fe // 1mm Ni'), formula('50%vol Fe // Ni')) - check_formula(formula('50%vol Co // Ti'), formula('2mL Co // 2mL Ti')) - check_formula(formula('50%wt Co // Ti'), formula('2g Co // 2g Ti')) + # The relative quantities change whenenver the mass is updated. + #print(formula('2mL Co // 2mL Ti').structure) + #print(formula('2g Co // 2g Ti').structure) + #print(formula('5g NaCl // 50mL H2O@1').structure) check_formula(formula('50vol% Co // Ti'), formula('2mL Co // 2mL Ti')) check_formula(formula('50wt% Co // Ti'), formula('2g Co // 2g Ti')) - check_formula(formula('2mL Co // 2mL Ti'), formula(((1.5922466356368357, Co), (1, Ti)))) - check_formula(formula('2g Co // 2g Ti'), formula(((1, Co), (1.231186412350889, Ti)))) + check_formula(formula('2mL Co // 2mL Ti'), formula(((1.5922467977437773, Co), (1, Ti)))) + check_formula(formula('2g Co // 2g Ti'), formula(((1, Co), (1.2311862870035726, Ti)))) + check_formula(formula('5g NaCl // 50mL H2O@1'), formula('5g NaCl // 50g H2O')) - check_formula(formula('5g NaCl // 50mL H2O@1'), - formula(((1, Na), (1, Cl), (32.4407, ((2, H), (1, O))))), tol=1e-5) + check_formula( + formula('5g NaCl // 50mL H2O@1'), + formula(((1, Na), (1, Cl), (32.43950556758257, ((2, H), (1, O))))), tol=1e-5) assert abs(formula('1mm Fe // 1mm Ni').thickness - 0.002) < 0.002*1e014 assert abs(formula('2g Co // 2g Ti').total_mass - 4) < 4*1e-14 check_mass(formula('2mL Co // 2mL Ti'), mass=2*(Co.density+Ti.density)) - check_mass(formula("50 g (49 mL H2O@1 // 1 g NaCl) // 20 mL D2O@1n"), - mass=50 + 20*D2O.density) - check_mass(formula("50 mL (45 mL H2O@1 // 5 g NaCl)@1.0707 // 20 mL D2O@1n"), - mass=50*1.0707 + 20*D2O.density) + check_mass( + formula("50 g (49 mL H2O@1 // 1 g NaCl) // 20 mL D2O@1n"), + mass=50 + 20*D2O.density) + check_mass( + formula("50 mL (45 mL H2O@1 // 5 g NaCl)@1.0707 // 20 mL D2O@1n"), + mass=50*1.0707 + 20*D2O.density) # fasta check_formula(formula('aa:A'), formula('C3H4H[1]3NO2')) diff --git a/test/test_mass.py b/test/test_mass.py index 7ae088e..e98a25d 100644 --- a/test/test_mass.py +++ b/test/test_mass.py @@ -1,15 +1,22 @@ import periodictable def test(): + # Constants defined in the tables. These may be updated from time to time. + Be_12_mass = 12.02692210 + Be_mass = 9.0121831 + Pb_206_abundance = 24.1 + Pb_209_abundance = 0 + Pb_mass = 207.2 - assert periodictable.Be[12].mass == 12.026921 - assert periodictable.Be.mass == 9.012182 - assert abs(periodictable.Be[12].ion[2].mass - (12.026921 - 2*periodictable.constants.electron_mass))<1e-12 - assert abs(periodictable.Be.ion[2].mass - (9.012182 - 2*periodictable.constants.electron_mass))<1e-12 - assert periodictable.Pb[206].abundance == 24.1 - assert periodictable.Pb[209].abundance == 0 - assert periodictable.Pb.mass == 207.2 - assert periodictable.n.mass == 1.00866491597 + assert periodictable.Be[12].mass == Be_12_mass + assert periodictable.Be.mass == Be_mass + assert abs(periodictable.Be[12].ion[2].mass - (Be_12_mass - 2*periodictable.constants.electron_mass))<1e-12 + assert abs(periodictable.Be.ion[2].mass - (Be_mass - 2*periodictable.constants.electron_mass))<1e-12 + assert abs(periodictable.Pb[206].abundance - Pb_206_abundance) < 1e-14 + assert abs(periodictable.Pb[209].abundance - Pb_209_abundance) < 1e-14 + assert periodictable.Pb.mass == Pb_mass + from periodictable.constants import neutron_mass + assert periodictable.n.mass == neutron_mass # Check abundance totals to 0% or 100% for el in periodictable.elements: @@ -22,10 +29,7 @@ def test(): assert abs(abundance-100) < 1e-4 or abundance==0,\ "total abundance for %s is %.15g%%"%(el.symbol,abundance) - # Check average mass corresponds to abundance information - # Note: should check that this is true within uncertainty, but - # uncertainties are not being loaded. for el in periodictable.elements: abundance=0 mass=0 @@ -35,7 +39,7 @@ def test(): else: abundance += iso.abundance mass += iso.mass*iso.abundance/100. - assert abundance==0 or abs(mass - el.mass)/el.mass < 1e-3,\ + assert abundance==0 or abs(mass - el.mass)/el.mass < el._mass_unc,\ "avg mass for %s is %g != %g"%(el.symbol,el.mass,mass) diff --git a/test/test_nsf.py b/test/test_nsf.py index c14cbed..16fbbe4 100644 --- a/test/test_nsf.py +++ b/test/test_nsf.py @@ -1,8 +1,11 @@ +from math import sqrt, pi + import numpy as np + import periodictable from periodictable import elements, formula, nsf from periodictable.nsf import neutron_scattering, neutron_sld -from math import sqrt, pi +from periodictable.constants import avogadro_number as N_A def test(): H,He,D,O = elements.H,elements.He,elements.D,elements.O @@ -120,7 +123,8 @@ def test(): assert abs(depth-depth2)<1e-14 # Test energy <=> velocity <=> wavelength - assert abs(nsf.neutron_wavelength_from_velocity(2200) - 1.7981972618436388) < 1e-14 + # PAK: value changes with updated neutron and atomic mass constants [2023-08] + assert abs(nsf.neutron_wavelength_from_velocity(2200) - 1.7981972619684314) < 1e-14 assert abs(nsf.neutron_wavelength(25) - 1.8) < 0.1 assert abs(nsf.neutron_energy(nsf.neutron_wavelength(25)) - 25) < 1e-14 @@ -132,7 +136,8 @@ def test(): assert abs(depth-depth2)<1e-14 def test_formula(): - M = formula('B4C', density=2.52) + density = 2.52 + M = formula('B4C', density=density) sld,xs,depth = neutron_scattering(M,wavelength=4.75) # Compare to Alan Munter's numbers: # SLD=7.65e-6 - 2.34e-7i /A^2 @@ -155,7 +160,9 @@ def test_formula(): # sld_re = 10*number_density * b_c.real # sigma_c = 4*pi/100*((sld_re - 1j*sld_im)/(10*number_density))**2 # coh_xs = sigma_c * number_density - Nb = 0.13732585020640778 + molar_mass = 4*elements.B.mass + elements.C.mass + cell_volume = (molar_mass/density) / N_A * 1e24 + Nb = 5 / cell_volume sld_inc = Nb*sqrt(100/(4*pi)*xs[2]/Nb)*10 coh_xs = Nb*4*pi/100*(abs(sld[0] - 1j*sld[1])/(10*Nb))**2 assert abs(sld[2] - sld_inc) < 1e-14 @@ -251,8 +258,8 @@ def test_energy_dependent(): # Use abundance from mass.py: 97.41% Lu[175] + 2.59% Lu[176] # Note: abundance uses mole fraction. DOI:10.1351/PAC-REP-10-06-02 Lu = elements.Lu - Lu_equiv = "Lu[175]97.41+Lu[176]2.59" - + Lu_175_abundance, Lu_176_abundance = 97.401, 2.599 + Lu_equiv = f"Lu[175]{Lu_175_abundance:g}+Lu[176]{Lu_176_abundance:g}" # Note: skipping incoherent xs in returned value # Multiple wavelength energy dependent @@ -260,9 +267,9 @@ def test_energy_dependent(): sld1 = neutron_sld(Lu_equiv, wavelength=wavelength, natural_density=Lu.density) sld2 = Lu.neutron.sld(wavelength=wavelength) # sld elements are arrays of length 4 - #print("multiple"); print(sld1); print(sld2) assert all(len(v) == 4 for v in sld1 + sld2) - assert all((abs((v-w)/v) < 1e-14).all() for v, w in zip(sld1[:2], sld2[:2])) + assert (abs((sld1[0]-sld2[0])/sld1[0]) < 1e-14).all() + assert (abs((sld1[1]-sld2[1])/sld1[1]) < 1e-14).all() # Length 1 wavelength energy dependent sld1 = neutron_sld(Lu_equiv, wavelength=wavelength[:1], natural_density=Lu.density) @@ -270,7 +277,8 @@ def test_energy_dependent(): # sld elements are arrays of length 1 #print("length 1", sld1, sld2) assert all(len(v) == 1 for v in sld1 + sld2) - assert all((abs((v-w)/v) < 1e-14).all() for v, w in zip(sld1[:2], sld2[:2])) + assert (abs((sld1[0]-sld2[0])/sld1[0]) < 1e-14).all() + assert (abs((sld1[1]-sld2[1])/sld1[1]) < 1e-14).all() # Scalar wavelength energy dependent sld1 = neutron_sld(Lu_equiv, wavelength=wavelength[0], natural_density=Lu.density) @@ -278,33 +286,37 @@ def test_energy_dependent(): # sld elements are scalars; note no .all() on the comparison #print("scalar", sld1, sld2) assert all(np.isscalar(v) for v in sld1 + sld2) - assert all((abs((v-w)/v) < 1e-14) for v, w in zip(sld1[:2], sld2[:2])) + assert (abs((sld1[0]-sld2[0])/sld1[0]) < 1e-14).all() + assert (abs((sld1[1]-sld2[1])/sld1[1]) < 1e-14).all() # Check that composite sld calculator works with energy dependence and # various wavelength vectors. materials = formula('Lu[175]'), formula('Lu[176]') - weights = np.array((97.41, 2.59)) + weights = np.array((Lu_175_abundance, Lu_176_abundance)) # Multiple wavelength sld1 = neutron_sld(Lu_equiv, wavelength=wavelength, density=Lu.density) calc = neutron_composite_sld(materials, wavelength=wavelength) sld2 = calc(weights, density=Lu.density) assert all(len(v) == 4 for v in sld1 + sld2) - assert all((abs((v-w)/v) < 1e-14).all() for v, w in zip(sld1[:2], sld2[:2])) + assert (abs((sld1[0]-sld2[0])/sld1[0]) < 1e-14).all() + assert (abs((sld1[1]-sld2[1])/sld1[1]) < 1e-14).all() # Length 1 wavelength sld1 = neutron_sld(Lu_equiv, wavelength=wavelength[:1], density=Lu.density) calc = neutron_composite_sld(materials, wavelength=wavelength[:1]) sld2 = calc(weights, density=Lu.density) assert all(len(v) == 1 for v in sld1 + sld2) - assert all((abs((v-w)/v) < 1e-14).all() for v, w in zip(sld1[:2], sld2[:2])) + assert (abs((sld1[0]-sld2[0])/sld1[0]) < 1e-14).all() + assert (abs((sld1[1]-sld2[1])/sld1[1]) < 1e-14).all() # scalar wavelength sld1 = neutron_sld(Lu_equiv, wavelength=wavelength[0], density=Lu.density) calc = neutron_composite_sld(materials, wavelength=wavelength[0]) sld2 = calc(weights, density=Lu.density) assert all(np.isscalar(v) for v in sld1 + sld2) - assert all((abs((v-w)/v) < 1e-14) for v, w in zip(sld1[:2], sld2[:2])) + assert (abs((sld1[0]-sld2[0])/sld1[0]) < 1e-14).all() + assert (abs((sld1[1]-sld2[1])/sld1[1]) < 1e-14).all() # Check against Alex Grutter spreadsheet values computed from Lynn&Seeger wavelength = neutron_wavelength(80) # look at 80 meV in the table @@ -313,7 +325,8 @@ def test_energy_dependent(): # reconstruct density from the given number density density = elements.Gd.mass*number_density*1e21/NA sld2 = neutron_sld("Gd", wavelength=wavelength, density=density) - assert all(abs((v-w)/v)<1e-14 for v, w in zip(sld1[:2], sld2[:2])) + assert (abs((sld1[0]-sld2[0])/sld1[0]) < 1e-14).all() + assert (abs((sld1[1]-sld2[1])/sld1[1]) < 1e-14).all() def time_composite(): from periodictable.nsf import neutron_composite_sld diff --git a/test/test_xsf.py b/test/test_xsf.py index ec53e0c..1ef5195 100644 --- a/test/test_xsf.py +++ b/test/test_xsf.py @@ -1,5 +1,6 @@ -import numpy +import numpy as np from numpy import pi, isnan + from periodictable import formula from periodictable import Cu,Mo,Ni,Fe,Si,H,D,O from periodictable.xsf import xray_energy, xray_sld_from_atoms, xray_sld @@ -26,7 +27,7 @@ def test_xsf(): Fe_rho,Fe_mu = Fe.xray.sld(wavelength=Cu.K_alpha) assert abs(Fe_rho-59.45) < 0.01 Si_rho,Si_mu = Si.xray.sld(energy=8.050) - assert abs(Si_rho-20.0701) < 0.0001 + assert abs(Si_rho-20.0705) < 0.0001 assert abs(Si_mu-0.4572) < 0.0001 # Check that wavelength is the default @@ -117,12 +118,9 @@ def test_xsf(): assert '_xray' not in Ni[58].__dict__ def test_refl(): - # Note: io always works on unicode (python 2.x and 3.x), so tag the input - # as unicode. The alternative is to import StringIO from six, but only - # if six is already required for some other reason. from io import StringIO # http://henke.lbl.gov/optical_constants/mirror2.html - data2=StringIO(u"""\ + data2=StringIO("""\ #SiO2 Rho=2.2, Sig=3.nm, P=1., 2.deg # Photon Energy (eV), Reflectivity 30.0000 0.900114 @@ -136,7 +134,7 @@ def test_refl(): 495.934 0.717134 704.226 0.392855 1000.00 5.563799E-02""") - data3=StringIO(u"""\ + data3=StringIO("""\ #SiO2 Rho=2.2, Sig=3.nm, P=1., 3.deg # Photon Energy (eV), Reflectivity 30.0000 0.853800 @@ -151,11 +149,12 @@ def test_refl(): 704.226 2.655170E-02 1000.00 1.240138E-03""") - e,R2 = numpy.loadtxt(data2).T - e,R3 = numpy.loadtxt(data3).T - R = mirror_reflectivity(energy=e*1e-3,angle=[2,3],compound='SiO2',density=2.2, - roughness=30) - assert numpy.max(abs((R-numpy.vstack([R2,R3]))/R)) < 1e-4 + e, R2 = np.loadtxt(data2).T + e, R3 = np.loadtxt(data3).T + R = mirror_reflectivity( + energy=e*1e-3, angle=[2,3], + compound='SiO2', density=2.2, roughness=30) + assert np.max(abs((R-np.vstack([R2,R3]))/R)) < 2e-4 def main(): From 4b26186649803d41353d3fb3afd40c4ce3683083 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 2 Oct 2024 13:53:29 -0400 Subject: [PATCH 42/76] Remove element Z=0 (neutron) from table. Refs #45 --- doc/sphinx/guide/using.rst | 7 +------ periodictable/core.py | 6 ++---- periodictable/covalent_radius.py | 3 ++- periodictable/crystal_structure.py | 5 ++--- periodictable/density.py | 3 +-- periodictable/mass.py | 14 +++++++------- periodictable/mass_2001.py | 14 +++++++------- periodictable/nsf.py | 14 +++----------- test/test_core.py | 4 ++-- test/test_mass.py | 2 -- 10 files changed, 27 insertions(+), 45 deletions(-) diff --git a/doc/sphinx/guide/using.rst b/doc/sphinx/guide/using.rst index da7872e..ad45a35 100644 --- a/doc/sphinx/guide/using.rst +++ b/doc/sphinx/guide/using.rst @@ -56,15 +56,12 @@ Import all elements: >>> print(periodictable.H.mass) 1.008 -Deuterium and tritium are special isotopes named D and T -some neutron information is available as 'n': +Deuterium and tritium are special isotopes named D and T: .. doctest:: >>> print("D mass %s"%D.mass) D mass 2.01410177784 - >>> print("neutron mass %s"%n.mass) - neutron mass 1.0086649159 Process all the elements: @@ -73,7 +70,6 @@ Process all the elements: >>> import periodictable >>> for el in periodictable.elements: # doctest: +ELLIPSIS, +NORMALIZE_WHITESPACE ... print("%s %s"%(el.symbol,el.name)) - n neutron H hydrogen He helium ... @@ -86,7 +82,6 @@ Another example for processing all elements: >>> from periodictable import elements >>> for el in elements: # doctest: +ELLIPSIS, +NORMALIZE_WHITESPACE ... print("%s %s"%(el.symbol,el.number)) - n 0 H 1 He 2 ... diff --git a/periodictable/core.py b/periodictable/core.py index 526516f..7c775a8 100644 --- a/periodictable/core.py +++ b/periodictable/core.py @@ -188,8 +188,7 @@ class PeriodicTable(object): 56-Fe - Deuterium and tritium are defined as 'D' and 'T'. Some - neutron properties are available in ``elements[0]``. + Deuterium and tritium are defined as 'D' and 'T'. To show all the elements in the table, use the iterator: @@ -198,7 +197,6 @@ class PeriodicTable(object): >>> from periodictable import * >>> for el in elements: # lists the element symbols ... print("%s %s"%(el.symbol, el.name)) # doctest: +ELLIPSIS, +NORMALIZE_WHITESPACE - n neutron H hydrogen He helium ... @@ -606,7 +604,7 @@ def _make_isotope_ion(table, Z, n, c): element_base = { # number: name symbol common_ions uncommon_ions # ion info comes from Wikipedia: list of oxidation states of the elements. - 0: ['Neutron', 'n', [], []], + # 0: ['Neutron', 'n', [], []], 1: ['Hydrogen', 'H', [-1, 1], []], 2: ['Helium', 'He', [], [1, 2]], # +1,+2 http://periodic.lanl.gov/2.shtml 3: ['Lithium', 'Li', [1], []], diff --git a/periodictable/covalent_radius.py b/periodictable/covalent_radius.py index 37d2d70..91c43c3 100644 --- a/periodictable/covalent_radius.py +++ b/periodictable/covalent_radius.py @@ -75,7 +75,8 @@ def init(table, reload=False): return table.properties.append('covalent_radius') - table[0].covalent_radius = 0.20 + # neutron covalent radius of 0.20 A ? Not sure where that value came from + # table[0].covalent_radius = 0.20 Element.covalent_radius_units = 'angstrom' Element.covalent_radius = None Element.covalent_radius_uncertainty = None diff --git a/periodictable/crystal_structure.py b/periodictable/crystal_structure.py index 20554b7..3a39124 100644 --- a/periodictable/crystal_structure.py +++ b/periodictable/crystal_structure.py @@ -42,7 +42,6 @@ crystal_structures = [\ - None, #X {'symmetry': 'diatom', 'd': 0.74}, #H {'symmetry': 'atom'}, #He {'symmetry': 'BCC', 'a': 3.49}, #Li @@ -155,5 +154,5 @@ def init(table, reload=False): return table.properties.append('crystal_structure') - for Z, struct in enumerate(crystal_structures): - table[Z].crystal_structure = struct + for k, struct in enumerate(crystal_structures): + table[k+1].crystal_structure = struct diff --git a/periodictable/density.py b/periodictable/density.py index be85ed6..43f602e 100644 --- a/periodictable/density.py +++ b/periodictable/density.py @@ -170,8 +170,7 @@ def init(table, reload=False): el.density_caveat = "" element_densities = dict( - # TODO: stop pretending that a bare neutron is element zero. - n=None, + # n=None, # No longer using element 0 for a bare neutron H=(0.0708, "T=-252.87"), He=(0.122, "T=-268.93"), Li=0.534, diff --git a/periodictable/mass.py b/periodictable/mass.py index 5fbcaed..760ecfb 100644 --- a/periodictable/mass.py +++ b/periodictable/mass.py @@ -119,13 +119,13 @@ def init(table, reload=False): #iso._abundance, iso._abundance_unc = parse_uncertainty(p) iso._abundance, iso._abundance_unc = 0, 0 - # A single neutron is an isotope of element 0 - from .constants import neutron_mass, neutron_mass_unc - el = table[0] - el._mass, el._mass_unc = neutron_mass, neutron_mass_unc - iso = el.add_isotope(1) - iso._mass, iso._mass_unc = neutron_mass, neutron_mass_unc - iso._abundance, iso._abundance_unc = 100, 0 + # # A single neutron is an isotope of element 0 + # from .constants import neutron_mass, neutron_mass_unc + # el = table[0] + # el._mass, el._mass_unc = neutron_mass, neutron_mass_unc + # iso = el.add_isotope(1) + # iso._mass, iso._mass_unc = neutron_mass, neutron_mass_unc + # iso._abundance, iso._abundance_unc = 100, 0 # Parse element mass table where each line looks like: # z El element mass(unc)|[low,high]|- note note ... diff --git a/periodictable/mass_2001.py b/periodictable/mass_2001.py index c4ec2a6..565e7a2 100644 --- a/periodictable/mass_2001.py +++ b/periodictable/mass_2001.py @@ -81,13 +81,13 @@ def init(table, reload=False): iso._mass, iso._mass_unc = parse_uncertainty(m) iso._abundance,iso._abundance_unc = parse_uncertainty(p) if p else (0,0) - # A single neutron is an isotope of element 0 - from .constants import neutron_mass - el = table[0] - el._mass = neutron_mass - iso = el.add_isotope(1) - iso._mass = neutron_mass - iso._abundance = 100 + # # A single neutron is an isotope of element 0 + # from .constants import neutron_mass + # el = table[0] + # el._mass = neutron_mass + # iso = el.add_isotope(1) + # iso._mass = neutron_mass + # iso._abundance = 100 # z-El-n,iso_mass(unc),abundance%(unc),element_mass(unc) massdata = """\ diff --git a/periodictable/nsf.py b/periodictable/nsf.py index ef35a9b..d42acad 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -567,6 +567,9 @@ def init(table, reload=False): symbol = parts[1] isotope_number = int(parts[2]) if len(parts) == 3 else 0 + if Z == 0: # Skip row 0-n-1 + continue + # Fetch element from the table and check that the symbol matches element = table[Z] assert element.symbol == symbol, \ @@ -576,13 +579,6 @@ def init(table, reload=False): # it can calculate sld. nsf._number_density = element.number_density # N/cm^3 = N/cm^3 - - # For new elements, clear out 'neutron' attribute for isotopes - # This protects against isotope using the element data when - # they don't have any specific neutron data. - #if isotope_number == 0 or not hasattr(element,'neutron'): - # for iso in element: iso.neutron = None - if isotope_number == 0: # Bulk values using laboratory abundances of isotopes element.neutron = nsf @@ -1876,8 +1872,6 @@ def coherent_comparison_table(table=None, tol=None): >>> coherent_comparison_table (tol=0.5) # doctest: +ELLIPSIS, +NORMALIZE_WHITESPACE Comparison of (4 pi |b_c|^2/100) and coherent - n 172.03 43.01 300.0% - 1-n 172.03 43.01 300.0% Sc 18.40 19.00 -3.2% 45-Sc 18.40 19.00 -3.2% 65-Cu 13.08 14.10 -7.2% @@ -1908,8 +1902,6 @@ def total_comparison_table(table=None, tol=None): >>> total_comparison_table (tol=0.1) Comparison of total cross section to (coherent + incoherent) - n 43.01 ---- - 1-n 43.01 ---- 84-Kr 6.60 ---- 149-Sm 200.00 200.50 -0.2% Eu 9.20 9.07 1.4% diff --git a/test/test_core.py b/test/test_core.py index 1e3498d..5c9abba 100644 --- a/test/test_core.py +++ b/test/test_core.py @@ -22,8 +22,8 @@ def test(): # Check that "for el in elements" works and for iso in el works els = tuple(el for el in elements) - assert els[0].number == 0 - assert els[1].number == 1 + assert els[0].number == 1 + assert els[1].number == 2 isotopes = tuple(iso for iso in O) assert isotopes[0].isotope == 12 # 12 is the first oxygen isotope listed diff --git a/test/test_mass.py b/test/test_mass.py index e98a25d..531c39d 100644 --- a/test/test_mass.py +++ b/test/test_mass.py @@ -15,8 +15,6 @@ def test(): assert abs(periodictable.Pb[206].abundance - Pb_206_abundance) < 1e-14 assert abs(periodictable.Pb[209].abundance - Pb_209_abundance) < 1e-14 assert periodictable.Pb.mass == Pb_mass - from periodictable.constants import neutron_mass - assert periodictable.n.mass == neutron_mass # Check abundance totals to 0% or 100% for el in periodictable.elements: From 71c43eef1f03e4da56020f2ca39d195c37640f63 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 7 Oct 2024 14:45:19 -0400 Subject: [PATCH 43/76] Pb-208 activation cross section in mbarns rather than barns --- periodictable/activation.dat | 2 +- periodictable/activation.py | 1 + 2 files changed, 2 insertions(+), 1 deletion(-) diff --git a/periodictable/activation.dat b/periodictable/activation.dat index c079c30..7ae4aa0 100644 --- a/periodictable/activation.dat +++ b/periodictable/activation.dat @@ -569,7 +569,7 @@ Tl 505 81 Tl 205 Tl-205 70.5 Tl-206 4.19 m act n 0.1 0.7 0.069833333 4.19 m Pb 506 82 Pb 204 Pb-204 1.4 Pb-203 51.88 h "n,2n" y 0.00245 51.88 51.88 h "IAEA156, fission averaged" Pb 507 82 Pb 204 Pb-204 1.4 Pb-204m 66.9 m "n,n'" y 0.38 1.115 66.90 m "IAEA156, fission averaged" Pb 508 82 Pb 204 Pb-204 1.4 Pb-205 14000000 y act n 0.661 1.7 1.2264E+11 14.0 My -Pb 509 82 Pb 208 Pb-208 52.3 Pb-209 3.3 h act n 0.487 3.3 3.30 h +Pb 509 82 Pb 208 Pb-208 52.3 Pb-209 3.3 h act n 0.000487 3.3 3.30 h Bi 510 83 Bi 209 Bi-209 100 Bi-210ms 3500000 y ms 0 act n 0.019 30660000000 3.5 My Bi 511 83 Bi 209 Bi-209 100 Bi-210t 5.01 d t act n 0.014 120.24 5.01 d 0.054 0.2 Bi 512 83 Bi 209 Bi-209 100 Po-210 138.38 d b n 0.014 3321.12 138.4 d 120.24 diff --git a/periodictable/activation.py b/periodictable/activation.py index d66fd65..2974842 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -412,6 +412,7 @@ def activity(isotope, mass, env, exposure, rest_times): * AK1495 (Au-198 => Au-199 2n) target should be Au-197 * AN1428 (Tm-169 => Tm-171 2n) t1/2 updated to Tm-171 rather than Tm-172 * AN1420 (Er-162 => Ho-163 b) t1/2 updated to 4570 y from 10 y + * AT1508 (Pb-208 => Pb-209 act) Thermal (b) x1000 to convert from mbarns to barns """ # TODO: is the table missing 1-H => 3-H ? # 0nly activations which produce radioactive daughter products are From 3d43e6c2a2aa860f5a655b4d3dc68f0778bb1c30 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 7 Oct 2024 18:30:10 -0400 Subject: [PATCH 44/76] Test from installed wheel (#91) Restructure CI to build wheel and test from wheel on different platforms. --- .github/workflows/test.yml | 66 +++++++++++++++++++++++++++------- MANIFEST.in | 2 +- doc/sphinx/Makefile | 6 ++-- doc/sphinx/guide/extending.rst | 2 +- periodictable/fasta.py | 15 ++++++++ pyproject.toml | 18 +++++----- test/test_core.py | 4 +++ 7 files changed, 87 insertions(+), 26 deletions(-) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 90ca622..39c29ae 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -7,9 +7,44 @@ on: branches: [ master ] jobs: - test: + build-wheel: + runs-on: ubuntu-latest + + steps: + - uses: actions/checkout@v4 + + - name: Set up Python + uses: actions/setup-python@v5 + with: + python-version: '3.11' + + - name: Build the wheel + run: | + python -m pip install build + python -m build + + - name: Upload wheel + uses: actions/upload-artifact@v4 + with: + name: wheel + path: dist/*.whl + + - name: Run the tests + run: | + python -m pip install numpy pyparsing pytest pytest-cov + pytest -v + + - name: Build the docs + run: | + python -m pip install matplotlib sphinx + python -m pip install dist/periodictable*.whl + make -j 4 -C doc/sphinx SPHINXOPTS="-W --keep-going" html + # Test the wheel on different platforms + test: runs-on: ${{ matrix.cfg.os }} + needs: build-wheel + strategy: matrix: cfg: @@ -19,6 +54,7 @@ jobs: - { os: ubuntu-latest, py: 3.11, doc: 1 } - { os: windows-latest, py: 3.11 } - { os: macos-latest, py: 3.11 } + fail-fast: false steps: - uses: actions/checkout@v4 @@ -28,18 +64,24 @@ jobs: with: python-version: ${{ matrix.cfg.py }} - - name: Install Python dependencies - run: | - python -m pip install --upgrade pip - python -m pip install wheel setuptools - python -m pip install numpy scipy matplotlib pytest pytest-cov + - name: Download the wheel + uses: actions/download-artifact@v4 + with: + name: wheel + path: dist + + - name: Install the wheel + run: python -m pip install dist/periodictable*.whl + shell: bash - - name: Test with pytest + - name: Install Python dependencies run: | - pytest -v + python -m pip install pytest pytest-cov - - name: check that the docs build (linux only) - if: matrix.cfg.doc == 1 + # Change into the test directory to test the wheel so that the + # source directory is not on the path. Full tests with coverage are + # run before building the wheel. + - name: Test wheel with pytest run: | - python -m pip install sphinx - make -j 4 -C doc/sphinx SPHINXOPTS="-W --keep-going" html + cd test + pytest -v --pyargs --import-mode=append periodictable . ../doc/sphinx/guide diff --git a/MANIFEST.in b/MANIFEST.in index 5e5c425..83620ba 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -1,8 +1,8 @@ include LICENSE.txt include README.rst -graft doc graft periodictable/xsf include periodictable/activation.dat +prune doc prune doc/sphinx/_build prune doc/sphinx/build prune */__pycache__ diff --git a/doc/sphinx/Makefile b/doc/sphinx/Makefile index fea155e..df79960 100644 --- a/doc/sphinx/Makefile +++ b/doc/sphinx/Makefile @@ -31,7 +31,7 @@ help: clean: -rm -rf _build/* build/* plots/*.pyc plots/*.png -html: build +html: $(SPHINXBUILD) -b html $(ALLSPHINXOPTS) _build/html @echo @echo "Build finished. The HTML pages are in _build/html." @@ -66,7 +66,7 @@ qthelp: @echo "To view the help file:" @echo "# assistant -collectionFile _build/qthelp/Periodic Table.qhc" -latex: build +latex: $(SPHINXBUILD) -b latex $(ALLSPHINXOPTS) _build/latex @echo @echo "Build finished; the LaTeX files are in _build/latex." @@ -92,5 +92,3 @@ doctest: @echo "Testing of doctests in the sources finished, look at the " \ "results in _build/doctest/output.txt." -build: - cd ../.. && python setup.py build diff --git a/doc/sphinx/guide/extending.rst b/doc/sphinx/guide/extending.rst index 38fcb30..9922479 100644 --- a/doc/sphinx/guide/extending.rst +++ b/doc/sphinx/guide/extending.rst @@ -25,7 +25,7 @@ The simplest solution is to load it directly when your package is imported. In the current example, this could be done by adding the following line to the end of the file:: - init(periodictable.core.elements) + init(periodictable.core.default_table()) This would be fine for the current example because the table size is small and load time is fast. For large tables, you may wish to diff --git a/periodictable/fasta.py b/periodictable/fasta.py index 1d8532b..8b4372b 100644 --- a/periodictable/fasta.py +++ b/periodictable/fasta.py @@ -544,11 +544,26 @@ def fasta_table(): beta_casein = "RELEELNVPGEIVESLSSSEESITRINKKIEKFQSEEQQQTEDELQDKIHPFAQTQSLVYPFPGPIPNSLPQNIPPLTQTPVVVPPFLQPEVMGVSKVKEAMAPKHKEMPFPKYPVEPFTESQSLTLTDVENLHLPLPLLQSWMHQPHQPLPPTVMFPPQSVLSLSQSKVLPVPQKAVPYPQRDMPIQAFLLYQEPVLGPVRGPFPIIV" +## Uncomment to show package path on CI infrastructure +#def doctestpath(): +# """ +# Checking import path for doctests:: +# +# >>> import periodictable +# >>> print(f"Path to imported periodictable in docstr is {periodictable.__file__}") +# some path printed here +# """ + def test(): from periodictable.constants import avogadro_number from .formulas import formula elements = default_table() + ## Uncomment to show package path on CI infrastructure + #import periodictable + #print(f"Path to imported periodictable in package is {periodictable.__file__}") + #print(fail_test) + # Beta casein results checked against Duncan McGillivray's spreadsheet # name Hmass Dmass vol den #el xray Hsld Dsld # =========== ======= ======= ======= ===== ===== ===== ===== ===== diff --git a/pyproject.toml b/pyproject.toml index 1426de6..a458848 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -11,13 +11,14 @@ dependencies = [ "pyparsing", "numpy", ] -[project.optional-dependencies] -dev = [ - 'build', - 'pytest', - 'pytest-cov', - 'sphinx', -] +#[project.optional-dependencies] +#dev = [ +# "build", +# "pytest", +# "pytest-cov", +# "matplotlib", +# "sphinx", +#] classifiers=[ "Development Status :: 5 - Production/Stable", @@ -49,7 +50,8 @@ packages = ["periodictable"] [tool.pytest.ini_options] addopts = ["--doctest-modules", "--doctest-glob=*.rst", "--cov=periodictable"] doctest_optionflags = "ELLIPSIS" +pythonpath = ["doc/sphinx"] testpaths = ["periodictable", "test", "doc/sphinx/guide"] python_files = "*.py" python_classes = "NoClassTestsWillMatch" -python_functions = ["test", "*_test", "test_*", "model_tests"] +python_functions = ["test", "*_test", "test_*"] diff --git a/test/test_core.py b/test/test_core.py index 5c9abba..d010a76 100644 --- a/test/test_core.py +++ b/test/test_core.py @@ -1,6 +1,10 @@ from periodictable import H, O, Fe, helium, elements, data_files def test(): + ## Uncomment to print the package path on the CI infrastructure + #import periodictable + #print(f"Path to imported periodictable in test dir is {periodictable.__file__}") + #print(fail_test) # Check that we can access element properties assert H.name == "hydrogen" assert H.symbol == "H" From f3bcebcb3152af85fd6c8a38969a78e979050ffb Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 7 Oct 2024 18:56:17 -0400 Subject: [PATCH 45/76] use matplotlib.pyplot rather than pylab --- doc/sphinx/plots/density_plot.py | 14 +++++++------- doc/sphinx/plots/magnetic_ff.py | 16 +++++++++------- doc/sphinx/plots/sld_plot.py | 4 ++-- periodictable/plot.py | 15 ++++++++------- periodictable/xsf.py | 17 +++++++++-------- 5 files changed, 35 insertions(+), 31 deletions(-) diff --git a/doc/sphinx/plots/density_plot.py b/doc/sphinx/plots/density_plot.py index b526424..6e3c5ec 100644 --- a/doc/sphinx/plots/density_plot.py +++ b/doc/sphinx/plots/density_plot.py @@ -1,8 +1,8 @@ +import matplotlib.pyplot as plt import periodictable -import pylab params = {'figure.figsize': (10,8)} -pylab.rcParams.update(params) +plt.rcParams.update(params) D = [(el.number,el.density,el.symbol) for el in periodictable.elements] @@ -10,8 +10,8 @@ bbox = dict(boxstyle="round",lw=1,ec=(0,0,0),fc=(0.85,0.8,0.8)) for Z,density,sym in D: if density is not None: - pylab.text(Z,density,sym,bbox=bbox) -pylab.axis([0,110,0,25]) -pylab.xlabel('Element number') -pylab.ylabel('Density of element') -pylab.title('Density for elements') + plt.text(Z,density,sym,bbox=bbox) +plt.axis([0,110,0,25]) +plt.xlabel('Element number') +plt.ylabel('Density of element') +plt.title('Density for elements') diff --git a/doc/sphinx/plots/magnetic_ff.py b/doc/sphinx/plots/magnetic_ff.py index c183fc8..e2c2285 100644 --- a/doc/sphinx/plots/magnetic_ff.py +++ b/doc/sphinx/plots/magnetic_ff.py @@ -1,14 +1,16 @@ -import pylab +import numpy as np +import matplotlib.pyplot as plt import periodictable + fig_width = 10 fig_height = 8 fig_size = [fig_width,fig_height] params = {'figure.figsize': fig_size} -pylab.rcParams.update(params) +plt.rcParams.update(params) Fe_2 = periodictable.Fe.ion[2] -Q = pylab.linspace(0,16,200) +Q = np.linspace(0,16,200) M = Fe_2.magnetic_ff[Fe_2.charge].j0_Q(Q) -pylab.xlabel(r'Magnetic Form Factor for Fe') -pylab.ylabel(r'$\AA^{-1}$') -pylab.title('Ion specific property for Fe') -pylab.plot(Q,M) +plt.xlabel(r'Magnetic Form Factor for Fe') +plt.ylabel(r'$\AA^{-1}$') +plt.title('Ion specific property for Fe') +plt.plot(Q,M) diff --git a/doc/sphinx/plots/sld_plot.py b/doc/sphinx/plots/sld_plot.py index 62756dc..5bb9bfd 100644 --- a/doc/sphinx/plots/sld_plot.py +++ b/doc/sphinx/plots/sld_plot.py @@ -1,7 +1,7 @@ -import pylab +import matplotlib.pyplot as plt import periodictable.nsf params = {'figure.figsize': (10,8)} -pylab.rcParams.update(params) +plt.rcParams.update(params) periodictable.nsf.sld_plot() diff --git a/periodictable/plot.py b/periodictable/plot.py index aaa120b..31d2ab3 100644 --- a/periodictable/plot.py +++ b/periodictable/plot.py @@ -19,20 +19,21 @@ def table_plot(data, form="line", label=None, title=None): :Returns: None """ - import pylab + import matplotlib.pyplot as plt + if form == "line": bbox = dict(boxstyle="round", lw=1, ec=(0, 0, 0), fc=(0.85, 0.8, 0.8)) for el, value in data.items(): if value is not None: - pylab.text(el.number, value, el.symbol, + plt.text(el.number, value, el.symbol, bbox=bbox, va='center', ha='center') - pylab.xlim(0, 100) - pylab.xlabel('Element number') + plt.xlim(0, 100) + plt.xlabel('Element number') values = [v for v in data.values()] minv, maxv = min(values), max(values) margin = (maxv - minv)*0.05 - pylab.ylim(minv-margin, maxv+margin) + plt.ylim(minv-margin, maxv+margin) if label is not None: - pylab.ylabel(label) + plt.ylabel(label) if title is not None: - pylab.title(title) + plt.title(title) diff --git a/periodictable/xsf.py b/periodictable/xsf.py index bcc528d..c70d062 100644 --- a/periodictable/xsf.py +++ b/periodictable/xsf.py @@ -664,15 +664,16 @@ def plot_xsf(el): :Returns: None """ - import pylab + import matplotlib.pyplot as plt + xsf = el.xray.sftable - pylab.title('X-ray scattering factors for '+el.name) - pylab.plot(xsf[0], xsf[1]) - pylab.plot(xsf[0], xsf[2]) - pylab.xlabel('Energy (keV)') - pylab.ylabel('Scattering factor') - pylab.legend(['f1', 'f2']) - pylab.show() + plt.title('X-ray scattering factors for '+el.name) + plt.plot(xsf[0], xsf[1]) + plt.plot(xsf[0], xsf[2]) + plt.xlabel('Energy (keV)') + plt.ylabel('Scattering factor') + plt.legend(['f1', 'f2']) + plt.show() def sld_table(wavelength=None, table=None): """ From 66b543a96cf01e843a561506e4b722ffc597090f Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 7 Oct 2024 19:13:17 -0400 Subject: [PATCH 46/76] remove unused chemicals.py file --- periodictable/chemicals.py | 108 ------------------------------------- 1 file changed, 108 deletions(-) delete mode 100644 periodictable/chemicals.py diff --git a/periodictable/chemicals.py b/periodictable/chemicals.py deleted file mode 100644 index c46e124..0000000 --- a/periodictable/chemicals.py +++ /dev/null @@ -1,108 +0,0 @@ -# This program is public domain -# Author: Paul Kienzle -""" - -***Not implemented*** - -Chemical - Class following the structure of Template::chembox new - from wikipedia. - - The basic properties are - - * IUCname - standard name - * CASid - standard identifier - * all_names - other names - * formula - chemical formula string - - A variety of numeric properties may be available such as - - * density - usual density - * boiling_point - boiling temperature - - Numeric properties are rich structures with a number of fields - - * value: median property value - * variance: range of values for the property (1-sigma) - * units: SI units for property (string, eg |g/cm^3|) - * notes: caveats on value to present to user (e.g., temperature - or pressure for the measurement) - * reference: source of data - * value_as('units'): value in particular units - * variance_as('units'): variance in particular units - -lookup(chemical, properties=['formula', 'density']) - Return information for the named chemical or formula, - or *None* if the chemical is not found. This command will - search for the chemical in all available sources, including - a number of proprietary sources if online access is available - from the current IP address. This search is repeated for - all desired properties. - -wikipedia(chemical) - Look up a chemical in wikipedia. Returns a list of - chemicals which match. Wikipedia provides information on - 6000+ chemicals. Though it is not necessarily complete or - accurate, it is freely available. This package will include a - copy of the chemical information from the latest wikipedia database - at the time of release. - - Properties available are density, melting_point, - boiling_point, chemical_formula, CAS_id, and more. - The initial version extracts only chemical_formula - and density. - - wikipedia is an instance of ChemicalDatabase (see below), - so it has methods for returning sorted lists of selected - chemicals. The file is opened readonly for normal usage. - -personal(chemical) - Lookup a chemical in the personal database. Returns a - list of chemicals which match. - - The personal list is stored as a database in the user - configuration directory. Chemicals found in other - sources can be added as they are used, and entirely - new entries can be created. Databases can be merged, - allowing sharing between groups and between machines. - -crc(chemical) [Not implemented] - Search CRC online for the chemical information. This - returns a set of matching chemicals. - - While not an instance of ChemicalDatabase, as much as - possible it follows the same interface. - - This resource is only available from institutions which - have purchased a license to the CRC online database. - - [Not implemented] - Interfaces to other databases may be provided depending - on demand and resources. - -register(source, rank=0) - Add a new source to the chemical lookup function. The - source should be a class which follows the - ChemicalDatabase interface as closely as possible. - - The source should have a properties attribute indicating - which properties are available. When called with a - chemical name, the source should return an object - with attributes for the available properties. - - One of the attributes of ChemicalDatabase is a rank - from 0-10, with 0 being the lowest. The rank determines - the order in which the sources are searched. Within a rank, - sources are chosen arbitrarily. The search will stop - when the required information is found. - -ChemicalDatabase(filename, mode=['update'|'read']) - A private list of chemicals associated with each user. - This class supports a dictionary interface, with multiple - keys per record and with an additional iterator methods - for traversing sorted subsets of the database. - - The values stored in the table are of class Chemical. - This list will be stored in a SQLite database, which - is accessible from C and other languages. -""" From 962de3a9f55a82e393d4e015b4249eb966f81afa Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Mon, 7 Oct 2024 19:15:28 -0400 Subject: [PATCH 47/76] Generate api stubs as part of doc build --- doc/sphinx/Makefile | 16 +++++++++++---- doc/sphinx/api/activation.rst | 15 -------------- doc/sphinx/api/constants.rst | 15 -------------- doc/sphinx/api/core.rst | 15 -------------- doc/sphinx/api/covalent_radius.rst | 15 -------------- doc/sphinx/api/cromermann.rst | 15 -------------- doc/sphinx/api/crystal_structure.rst | 15 -------------- doc/sphinx/api/density.rst | 15 -------------- doc/sphinx/api/fasta.rst | 15 -------------- doc/sphinx/api/formulas.rst | 15 -------------- doc/sphinx/api/index.rst | 30 ---------------------------- doc/sphinx/api/magnetic_ff.rst | 15 -------------- doc/sphinx/api/mass.rst | 15 -------------- doc/sphinx/api/nsf.rst | 15 -------------- doc/sphinx/api/plot.rst | 15 -------------- doc/sphinx/api/util.rst | 15 -------------- doc/sphinx/api/xsf.rst | 15 -------------- doc/sphinx/genmods.py | 2 +- 18 files changed, 13 insertions(+), 260 deletions(-) delete mode 100644 doc/sphinx/api/activation.rst delete mode 100644 doc/sphinx/api/constants.rst delete mode 100644 doc/sphinx/api/core.rst delete mode 100644 doc/sphinx/api/covalent_radius.rst delete mode 100644 doc/sphinx/api/cromermann.rst delete mode 100644 doc/sphinx/api/crystal_structure.rst delete mode 100644 doc/sphinx/api/density.rst delete mode 100644 doc/sphinx/api/fasta.rst delete mode 100644 doc/sphinx/api/formulas.rst delete mode 100644 doc/sphinx/api/index.rst delete mode 100644 doc/sphinx/api/magnetic_ff.rst delete mode 100644 doc/sphinx/api/mass.rst delete mode 100644 doc/sphinx/api/nsf.rst delete mode 100644 doc/sphinx/api/plot.rst delete mode 100644 doc/sphinx/api/util.rst delete mode 100644 doc/sphinx/api/xsf.rst diff --git a/doc/sphinx/Makefile b/doc/sphinx/Makefile index df79960..d11f377 100644 --- a/doc/sphinx/Makefile +++ b/doc/sphinx/Makefile @@ -7,13 +7,18 @@ SPHINXOPTS = -W --keep-going -n SPHINXBUILD = $(PYTHON) -m sphinx PAPER = BUILDDIR = _build +ifdef ComSpec + RMDIR = rmdir /s/q +else + RMDIR = rm -rf +endif # Internal variables. PAPEROPT_a4 = -D latex_paper_size=a4 PAPEROPT_letter = -D latex_paper_size=letter ALLSPHINXOPTS = -d $(BUILDDIR)/doctrees $(PAPEROPT_$(PAPER)) $(SPHINXOPTS) . -.PHONY: help clean html dirhtml pickle json htmlhelp qthelp latex changes linkcheck doctest build +.PHONY: help api clean html dirhtml pickle json htmlhelp qthelp latex changes linkcheck doctest build help: @echo "Please use \`make ' where is one of" @@ -29,9 +34,13 @@ help: @echo " doctest to run all doctests embedded in the documentation (if enabled)" clean: - -rm -rf _build/* build/* plots/*.pyc plots/*.png + -rm -rf _build/* build/* plots/*.pyc plots/*.png api -html: +api: genmods.py + -$(RMDIR) api + "$(PYTHON)" genmods.py + +html: api $(SPHINXBUILD) -b html $(ALLSPHINXOPTS) _build/html @echo @echo "Build finished. The HTML pages are in _build/html." @@ -91,4 +100,3 @@ doctest: $(SPHINXBUILD) -b doctest $(ALLSPHINXOPTS) _build/doctest @echo "Testing of doctests in the sources finished, look at the " \ "results in _build/doctest/output.txt." - diff --git a/doc/sphinx/api/activation.rst b/doc/sphinx/api/activation.rst deleted file mode 100644 index 9e4087d..0000000 --- a/doc/sphinx/api/activation.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Neutron activation -****************************************************************************** - -:mod:`periodictable.activation` -============================================================================== - -.. automodule:: periodictable.activation - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/constants.rst b/doc/sphinx/api/constants.rst deleted file mode 100644 index 6f4765d..0000000 --- a/doc/sphinx/api/constants.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Fundamental constants -****************************************************************************** - -:mod:`periodictable.constants` -============================================================================== - -.. automodule:: periodictable.constants - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/core.rst b/doc/sphinx/api/core.rst deleted file mode 100644 index 8249977..0000000 --- a/doc/sphinx/api/core.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Core table -****************************************************************************** - -:mod:`periodictable.core` -============================================================================== - -.. automodule:: periodictable.core - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/covalent_radius.rst b/doc/sphinx/api/covalent_radius.rst deleted file mode 100644 index 92420e6..0000000 --- a/doc/sphinx/api/covalent_radius.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Covalent radius -****************************************************************************** - -:mod:`periodictable.covalent_radius` -============================================================================== - -.. automodule:: periodictable.covalent_radius - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/cromermann.rst b/doc/sphinx/api/cromermann.rst deleted file mode 100644 index 73bba78..0000000 --- a/doc/sphinx/api/cromermann.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -X-ray scattering factor f0 calculations -****************************************************************************** - -:mod:`periodictable.cromermann` -============================================================================== - -.. automodule:: periodictable.cromermann - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/crystal_structure.rst b/doc/sphinx/api/crystal_structure.rst deleted file mode 100644 index 200174b..0000000 --- a/doc/sphinx/api/crystal_structure.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Crystal structure -****************************************************************************** - -:mod:`periodictable.crystal_structure` -============================================================================== - -.. automodule:: periodictable.crystal_structure - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/density.rst b/doc/sphinx/api/density.rst deleted file mode 100644 index e347fd0..0000000 --- a/doc/sphinx/api/density.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Density -****************************************************************************** - -:mod:`periodictable.density` -============================================================================== - -.. automodule:: periodictable.density - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/fasta.rst b/doc/sphinx/api/fasta.rst deleted file mode 100644 index b83ee85..0000000 --- a/doc/sphinx/api/fasta.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -FASTA format for DNA/RNA and amino acid sequences -****************************************************************************** - -:mod:`periodictable.fasta` -============================================================================== - -.. automodule:: periodictable.fasta - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/formulas.rst b/doc/sphinx/api/formulas.rst deleted file mode 100644 index 7f2981c..0000000 --- a/doc/sphinx/api/formulas.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Chemical formula operations -****************************************************************************** - -:mod:`periodictable.formulas` -============================================================================== - -.. automodule:: periodictable.formulas - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/index.rst b/doc/sphinx/api/index.rst deleted file mode 100644 index 212af42..0000000 --- a/doc/sphinx/api/index.rst +++ /dev/null @@ -1,30 +0,0 @@ -.. Autogenerated by genmods.py - -.. _api-index: - -############################################################################## - Reference -############################################################################## - -.. only:: html - - :Release: |version| - :Date: |today| - -.. toctree:: - - core.rst - formulas.rst - covalent_radius.rst - constants.rst - crystal_structure.rst - density.rst - fasta.rst - magnetic_ff.rst - mass.rst - activation.rst - nsf.rst - xsf.rst - cromermann.rst - plot.rst - util.rst diff --git a/doc/sphinx/api/magnetic_ff.rst b/doc/sphinx/api/magnetic_ff.rst deleted file mode 100644 index 0dd08b9..0000000 --- a/doc/sphinx/api/magnetic_ff.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Magnetic Form Factor -****************************************************************************** - -:mod:`periodictable.magnetic_ff` -============================================================================== - -.. automodule:: periodictable.magnetic_ff - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/mass.rst b/doc/sphinx/api/mass.rst deleted file mode 100644 index dad6c63..0000000 --- a/doc/sphinx/api/mass.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Mass -****************************************************************************** - -:mod:`periodictable.mass` -============================================================================== - -.. automodule:: periodictable.mass - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/nsf.rst b/doc/sphinx/api/nsf.rst deleted file mode 100644 index b34f7a5..0000000 --- a/doc/sphinx/api/nsf.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Neutron scattering potentials -****************************************************************************** - -:mod:`periodictable.nsf` -============================================================================== - -.. automodule:: periodictable.nsf - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/plot.rst b/doc/sphinx/api/plot.rst deleted file mode 100644 index 117e34a..0000000 --- a/doc/sphinx/api/plot.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Element plotter -****************************************************************************** - -:mod:`periodictable.plot` -============================================================================== - -.. automodule:: periodictable.plot - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/util.rst b/doc/sphinx/api/util.rst deleted file mode 100644 index 0d2f136..0000000 --- a/doc/sphinx/api/util.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -Utility functions -****************************************************************************** - -:mod:`periodictable.util` -============================================================================== - -.. automodule:: periodictable.util - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/api/xsf.rst b/doc/sphinx/api/xsf.rst deleted file mode 100644 index c45def3..0000000 --- a/doc/sphinx/api/xsf.rst +++ /dev/null @@ -1,15 +0,0 @@ -.. Autogenerated by genmods.py - -****************************************************************************** -X-ray scattering potentials -****************************************************************************** - -:mod:`periodictable.xsf` -============================================================================== - -.. automodule:: periodictable.xsf - :members: - :undoc-members: - :inherited-members: - :show-inheritance: - diff --git a/doc/sphinx/genmods.py b/doc/sphinx/genmods.py index 8ad778a..9cdc46a 100644 --- a/doc/sphinx/genmods.py +++ b/doc/sphinx/genmods.py @@ -55,7 +55,6 @@ def genfiles(package, package_name, modules, dir='api'): #('__init__', 'Top level namespace'), ('core', 'Core table'), ('formulas', 'Chemical formula operations'), - #('chemicals', 'Chemical database'), ('covalent_radius', 'Covalent radius'), ('constants', 'Fundamental constants'), ('crystal_structure', 'Crystal structure'), @@ -69,6 +68,7 @@ def genfiles(package, package_name, modules, dir='api'): ('cromermann', 'X-ray scattering factor f0 calculations'), ('plot', 'Element plotter'), ('util', 'Utility functions'), + ('mass_2001', 'Deprecated mass/abundance values'), ] package='periodictable' package_name='Reference' From c849b4e86267dc2f7e31d79dba712b62823ba3fa Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 8 Oct 2024 10:52:03 -0400 Subject: [PATCH 48/76] pyproject fixup (bad grouping) --- pyproject.toml | 88 +++++++++++++++++++++++++------------------------- 1 file changed, 44 insertions(+), 44 deletions(-) diff --git a/pyproject.toml b/pyproject.toml index a458848..839a1bf 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -1,57 +1,57 @@ [project] -name = "periodictable" -dynamic = ["version"] -description = "Extensible periodic table of the elements" -readme = "README.rst" -authors = [ - { name = "Paul Kienzle", email = "paul.kienzle@nist.gov" }, -] -license = { file = "LICENSE.txt" } -dependencies = [ - "pyparsing", "numpy", -] + name = "periodictable" + dynamic = ["version"] + description = "Extensible periodic table of the elements" + readme = "README.rst" + authors = [ + { name = "Paul Kienzle", email = "paul.kienzle@nist.gov" }, + ] + license = { file = "LICENSE.txt" } + dependencies = [ + "pyparsing", "numpy", + ] -#[project.optional-dependencies] -#dev = [ -# "build", -# "pytest", -# "pytest-cov", -# "matplotlib", -# "sphinx", -#] + classifiers=[ + "Development Status :: 5 - Production/Stable", + "Environment :: Console", + "Intended Audience :: Science/Research", + "License :: Public Domain", + "Operating System :: OS Independent", + "Programming Language :: Python", + "Programming Language :: Python :: 3", + "Topic :: Scientific/Engineering :: Chemistry", + "Topic :: Scientific/Engineering :: Physics", + ] + requires-python = ">=3.8" -classifiers=[ - "Development Status :: 5 - Production/Stable", - "Environment :: Console", - "Intended Audience :: Science/Research", - "License :: Public Domain", - "Operating System :: OS Independent", - "Programming Language :: Python", - "Programming Language :: Python :: 3", - "Topic :: Scientific/Engineering :: Chemistry", - "Topic :: Scientific/Engineering :: Physics", -] -requires-python = ">=3.8" +[project.optional-dependencies] + dev = [ + "build", + "pytest", + "pytest-cov", + "matplotlib", + "sphinx", + ] [project.urls] -documentation = "https://periodictable.readthedocs.io" -repository = "hhttps://github.com/pkienzle/periodictable" + documentation = "https://periodictable.readthedocs.io" + repository = "hhttps://github.com/pkienzle/periodictable" [build-system] -requires = ["setuptools", "wheel"] -build-backend = "setuptools.build_meta" + requires = ["setuptools", "wheel"] + build-backend = "setuptools.build_meta" [tool.setuptools.dynamic] -version = { attr = "periodictable.__version__" } + version = { attr = "periodictable.__version__" } [tool.setuptools] -packages = ["periodictable"] + packages = ["periodictable"] [tool.pytest.ini_options] -addopts = ["--doctest-modules", "--doctest-glob=*.rst", "--cov=periodictable"] -doctest_optionflags = "ELLIPSIS" -pythonpath = ["doc/sphinx"] -testpaths = ["periodictable", "test", "doc/sphinx/guide"] -python_files = "*.py" -python_classes = "NoClassTestsWillMatch" -python_functions = ["test", "*_test", "test_*"] + addopts = ["--doctest-modules", "--doctest-glob=*.rst", "--cov=periodictable"] + doctest_optionflags = "ELLIPSIS" + pythonpath = ["doc/sphinx"] + testpaths = ["periodictable", "test", "doc/sphinx/guide"] + python_files = "*.py" + python_classes = "NoClassTestsWillMatch" + python_functions = ["test", "*_test", "test_*"] From 4dc7b35ac5b4c8195bf60f342d2eb653091e1a96 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 8 Oct 2024 10:54:38 -0400 Subject: [PATCH 49/76] pyproject fixup (bad grouping) --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 839a1bf..178a835 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -11,7 +11,7 @@ "pyparsing", "numpy", ] - classifiers=[ + classifiers = [ "Development Status :: 5 - Production/Stable", "Environment :: Console", "Intended Audience :: Science/Research", From 210e0211754a66578ec5820b80d628c509cfb1ff Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 8 Oct 2024 11:46:43 -0400 Subject: [PATCH 50/76] Move Cromer-Mann data out of CXRO directory. --- MANIFEST.in | 1 + periodictable/__init__.py | 4 ++-- periodictable/cromermann.py | 42 +++++++++++++++++++------------------ 3 files changed, 25 insertions(+), 22 deletions(-) diff --git a/MANIFEST.in b/MANIFEST.in index 83620ba..e53b68d 100644 --- a/MANIFEST.in +++ b/MANIFEST.in @@ -1,6 +1,7 @@ include LICENSE.txt include README.rst graft periodictable/xsf +include periodictable/f0_WaasKirf.dat include periodictable/activation.dat prune doc prune doc/sphinx/_build diff --git a/periodictable/__init__.py b/periodictable/__init__.py index 9b39040..0472e0b 100644 --- a/periodictable/__init__.py +++ b/periodictable/__init__.py @@ -59,8 +59,8 @@ def _finddata(ext, patterns): return files files = [('periodictable-data/xsf', - _finddata('xsf', ['*.nff', 'read.me', 'f0_WaasKirf.dat'])), - ('periodictable-data', _finddata('.', ['activation.dat']))] + _finddata('xsf', ['*.nff', 'read.me'])), + ('periodictable-data', _finddata('.', ['activation.dat', 'f0_WaasKirf.dat']))] return files # Export variables for each element name and symbol. diff --git a/periodictable/cromermann.py b/periodictable/cromermann.py index 8e52aab..6b575ae 100644 --- a/periodictable/cromermann.py +++ b/periodictable/cromermann.py @@ -177,26 +177,28 @@ def _update_cmformulas(): """ Update the static dictionary of CromerMannFormula instances. """ - data_path = core.get_data_path('xsf') - filename = os.path.join(data_path, 'f0_WaasKirf.dat') - fp = open(filename) - lineiter = iter(fp) - for line in lineiter: - w = line.split() - if w[0] == "#S": - smbl = w[2] - continue - if w[0] == "#L": - assert smbl is not None - line1 = next(lineiter) - w1 = line1.split() - assert len(w1) == 11 - a = list(map(float, w1[0:5])) - b = list(map(float, w1[6:11])) - c = float(w1[5]) - cmf = CromerMannFormula(smbl, a, b, c) - _cmformulas[cmf.symbol] = cmf - smbl = None + path = os.path.join(core.get_data_path('.'), 'f0_WaasKirf.dat') + # Data file contains: + # #{C,D,F,UD,UO,UT,UIDL,UF0TYPE} header lines + # + # #S (#[+-])? data blocks + # #N 11 + # #L a1 a2 a3 a4 a5 c b1 b2 b3 b4 b5 + # + with open(path) as fp: + for line in fp: + if line.startswith("#S"): + symbol = line.split()[2] + elif line.startswith(" "): + if symbol is None: + raise RuntimeError(f"Should not be here; {path} has been corrupted.") + w = line.split() + a = list(map(float, w[0:5])) + b = list(map(float, w[6:11])) + c = float(w[5]) + cmf = CromerMannFormula(symbol, a, b, c) + _cmformulas[cmf.symbol] = cmf + symbol = None _cmformulas = {} From 25d0085f885550bd37f10c28d1360e49559444df Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 8 Oct 2024 11:58:44 -0400 Subject: [PATCH 51/76] Update xray scattering factors --- ChangeLog.rst | 3 + periodictable/{xsf => }/f0_WaasKirf.dat | 0 periodictable/xsf.py | 45 +- periodictable/xsf/cr.nff | 1257 +++++++++++-------- periodictable/xsf/mg.nff | 1261 +++++++++++-------- periodictable/xsf/nb.nff | 1267 ++++++++++++-------- periodictable/xsf/pt.nff | 1463 +++++++++++++++-------- periodictable/xsf/read.me | 5 + periodictable/xsf/ta.nff | 1232 +++++++++++-------- periodictable/xsf/y.nff | 1129 +++++++++-------- 10 files changed, 4582 insertions(+), 3080 deletions(-) rename periodictable/{xsf => }/f0_WaasKirf.dat (100%) diff --git a/ChangeLog.rst b/ChangeLog.rst index b836cf7..1915473 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -24,11 +24,14 @@ Modified: * Move to IAEA AME2020 for isotope mass * Move to IUPAC CIAAW 2021 for atomic weight and isotopic abundance +* Move old mass/abundance tables into periodictable.mass_2001 * Li-6:Li-7 mass ratio changed from 12.2 to 19.6 (delta = 2.7%) * Isotope percentage changed by 0.1 to 0.5 for B, Zn, Ge, Se, Mo, Er, Yb, Pt, Hg * Atomic weight changed by 0.04% for Zn, 0.02% for S and 0.01% for Li, Ge, Se, Mo * Neutron b_c changed for Zn-70 from 6.9 to 6.0 (fixes a typo in the original table) * Fix typos in uncertainties in the neutron table (Zr-90, Te-124, Ba-138, Sm-147) +* Use correctactivation for Pb-208 which was entered as barns rather than mbarns +* Use Aug 2023 update to CXRO scattering factors (Pt, Cr, Nb, Y, Er) 2024-07-08 R1.7.1 ----------------- diff --git a/periodictable/xsf/f0_WaasKirf.dat b/periodictable/f0_WaasKirf.dat similarity index 100% rename from periodictable/xsf/f0_WaasKirf.dat rename to periodictable/f0_WaasKirf.dat diff --git a/periodictable/xsf.py b/periodictable/xsf.py index c70d062..18e25ba 100644 --- a/periodictable/xsf.py +++ b/periodictable/xsf.py @@ -141,26 +141,31 @@ .. table:: - ======== ========== ================= - Element Updated Energy Range (eV) - ======== ========== ================= - Mg Jan 2011 10-1300 - Zr Apr 2010 20-1000 - La Jun 2007 14-440 - Gd Jun 2007 12-450 - Sc Apr 2006 50-1300 - Ti Aug 2004 20-150 - Ru Aug 2004 40-1300 - W Aug 2004 35-250 - Mo Aug 2004 25-60 - Be Aug 2004 40-250 - Mo Nov 1997 10-930 - Fe Oct 1995 600-800 - Si Jun 1995 30-500 - Au Jul 1994 2000-6500 - Mg,Al,Si Jan 1994 30-200 - Li Nov 1994 2000-30000 - ======== ========== ================= + ======== ========== ================= + Element Updated Energy Range (eV) + ======== ========== ================= + Pt Aug 2023 0.1-800 + Cr Aug 2023 0.4-813 + Nb Aug 2023 10-1000 + Y Aug 2023 50-1300 + Er Aug 2023 3-1580 + Mg Jan 2011 10-1300 + Zr Apr 2010 20-1000 + La Jun 2007 14-440 + Gd Jun 2007 12-450 + Sc Apr 2006 50-1300 + Ti Aug 2004 20-150 + Ru Aug 2004 40-1300 + W Aug 2004 35-250 + Mo Aug 2004 25-60 + Be Aug 2004 40-250 + Mo Nov 1997 10-930 + Fe Oct 1995 600-800 + Si Jun 1995 30-500 + Au Jul 1994 2000-6500 + Mg,Al,Si Jan 1994 30-200 + Li Nov 1994 2000-30000 + ======== ========== ================= Data available at: diff --git a/periodictable/xsf/cr.nff b/periodictable/xsf/cr.nff index af9d198..1c14e84 100644 --- a/periodictable/xsf/cr.nff +++ b/periodictable/xsf/cr.nff @@ -1,505 +1,752 @@ -E(eV) f1 f2 -10.0000 -9999. 1.05700 -10.1617 -9999. 1.10362 -10.3261 -9999. 1.15229 -10.4931 -9999. 1.20311 -10.6628 -9999. 1.25618 -10.8353 -9999. 1.31158 -11.0106 -9999. 1.36943 -11.1886 -9999. 1.42916 -11.3696 -9999. 1.48789 -11.5535 -9999. 1.54903 -11.7404 -9999. 1.61268 -11.9303 -9999. 1.67895 -12.1232 -9999. 1.74794 -12.3193 -9999. 1.81977 -12.5186 -9999. 1.89455 -12.7210 -9999. 1.97240 -12.9268 -9999. 2.05236 -13.1359 -9999. 2.13557 -13.3483 -9999. 2.22215 -13.5642 -9999. 2.31224 -13.7836 -9999. 2.40598 -14.0066 -9999. 2.50733 -14.2331 -9999. 2.62058 -14.4633 -9999. 2.73896 -14.6973 -9999. 2.86268 -14.9350 -9999. 2.99199 -15.1765 -9999. 3.08350 -15.4220 -9999. 3.16751 -15.6714 -9999. 3.25382 -15.9249 -9999. 3.34248 -16.1825 -9999. 3.43354 -16.4442 -9999. 3.52710 -16.7102 -9999. 3.59513 -16.9805 -9999. 3.66139 -17.2551 -9999. 3.72887 -17.5342 -9999. 3.79760 -17.8178 -9999. 3.86759 -18.1060 -9999. 3.92324 -18.3989 -9999. 3.95920 -18.6964 -9999. 3.99549 -18.9988 -9999. 4.03212 -19.3061 -9999. 4.06908 -19.6184 -9999. 4.09684 -19.9357 -9999. 4.11996 -20.2582 -9999. 4.14321 -20.5858 -9999. 4.16660 -20.9188 -9999. 4.19012 -21.2571 -9999. 4.21377 -21.6009 -9999. 4.22197 -21.9503 -9999. 4.21016 -22.3053 -9999. 4.19839 -22.6661 -9999. 4.18665 -23.0327 -9999. 4.17494 -23.4053 -9999. 4.16326 -23.7838 -9999. 4.09688 -24.1685 -9999. 4.02779 -24.5594 -9999. 3.95986 -24.9566 -9999. 3.89307 -25.3603 -9999. 3.82742 -25.7705 -9999. 3.76287 -26.1873 -9999. 3.69941 -26.6109 -9999. 3.60958 -27.0413 -9999. 3.49735 -27.4786 -9999. 3.38860 -27.9231 -9999. 3.28324 -28.3747 -9999. 3.18115 -28.8337 -9999. 3.08224 -29.3000 5.94228 2.99004 -29.7739 5.92909 2.90494 -30.2555 5.91066 2.82226 -30.7449 5.88584 2.74194 -31.2421 5.85426 2.66391 -31.7475 5.81498 2.58809 -32.2609 5.76680 2.51723 -32.7827 5.71465 2.45041 -33.3130 5.65654 2.38537 -33.8518 5.59119 2.32205 -34.3993 5.51781 2.26041 -34.9557 5.43535 2.19986 -35.5211 5.34156 2.14059 -36.0956 5.23454 2.08292 -36.6794 5.11068 2.02681 -37.2727 4.95964 1.97220 -37.8755 4.78766 1.95578 -38.4882 4.61222 1.94496 -39.1107 4.41976 1.95116 -39.7432 4.20694 1.96248 -40.3861 3.97362 2.02151 -41.0393 3.73477 2.08911 -41.7031 3.45148 2.17520 -42.3776 3.15242 2.32257 -43.0630 2.79750 2.47993 -43.7595 2.38498 2.84366 -44.4673 2.08271 3.32968 -45.1865 1.87212 3.89876 -45.9174 1.78945 4.56510 -46.6600 1.99022 5.31171 -47.4147 2.28007 5.65963 -48.1816 2.49180 6.03034 -48.9609 2.71114 6.42532 -49.7528 3.03331 6.79536 -50.5576 3.33199 7.05016 -51.3753 3.61502 7.31451 -52.2062 3.92170 7.58878 -53.0506 4.31249 7.82634 -53.9087 4.66887 7.96298 -54.7806 5.00459 8.10200 -55.6667 5.34916 8.24346 -56.5670 5.74622 8.38738 -57.4820 6.19199 8.39766 -58.4117 6.56095 8.36152 -59.3564 6.89643 8.32554 -60.3165 7.24600 8.28970 -61.2921 7.57809 8.15699 -62.2834 7.85549 8.02193 -63.2908 8.09935 7.88911 -64.3145 8.32623 7.75848 -65.3547 8.55190 7.63002 -66.4118 8.76200 7.45443 -67.4859 8.92629 7.27327 -68.5775 9.05755 7.09652 -69.6867 9.15240 6.92522 -70.8138 9.23368 6.79165 -71.9591 9.31173 6.66065 -73.1230 9.37710 6.53218 -74.3057 9.41811 6.40618 -75.5076 9.44981 6.32254 -76.7289 9.49426 6.24629 -77.9699 9.54040 6.17096 -79.2310 9.58365 6.09654 -80.5125 9.61905 6.02301 -81.8147 9.63156 5.96361 -83.1380 9.65991 5.92864 -84.4827 9.69895 5.89387 -85.8491 9.74104 5.85932 -87.2377 9.78465 5.82496 -88.6487 9.82892 5.79081 -90.0825 9.87370 5.75585 -91.5395 9.91600 5.71998 -93.0201 9.95535 5.68432 -94.5246 9.99094 5.64889 -96.0535 10.0205 5.61369 -97.6071 10.0356 5.57869 -99.1858 10.0506 5.57753 -100.790 10.0773 5.57754 -102.420 10.1105 5.57756 -104.077 10.1454 5.57757 -105.760 10.1797 5.57758 -107.471 10.2062 5.57760 -109.209 10.2353 5.60496 -110.975 10.2786 5.63469 -112.770 10.3327 5.66458 -114.594 10.3946 5.69462 -116.448 10.4646 5.72483 -118.331 10.5453 5.75519 -120.245 10.6527 5.77467 -122.190 10.7479 5.76624 -124.166 10.8324 5.75783 -126.175 10.9144 5.74942 -128.215 10.9957 5.74103 -130.289 11.0781 5.73265 -132.397 11.1672 5.72428 -134.538 11.2537 5.69934 -136.714 11.3329 5.67447 -138.925 11.4084 5.64972 -141.172 11.4814 5.62507 -143.456 11.5523 5.60052 -145.776 11.6210 5.57609 -148.134 11.6855 5.55414 -150.530 11.7530 5.53664 -152.964 11.8225 5.51919 -155.439 11.8936 5.50180 -157.953 11.9667 5.48446 -160.507 12.0425 5.46718 -163.103 12.1227 5.44995 -165.742 12.2154 5.43278 -168.422 12.3185 5.38959 -171.146 12.4014 5.32982 -173.915 12.4721 5.27070 -176.727 12.5352 5.21224 -179.586 12.5919 5.15443 -182.491 12.6427 5.09727 -185.442 12.6869 5.04073 -188.442 12.7182 4.98483 -191.489 12.7453 4.94959 -194.587 12.7813 4.92015 -197.734 12.8212 4.89088 -200.932 12.8632 4.86178 -204.182 12.9066 4.83286 -207.485 12.9513 4.80412 -210.840 12.9977 4.77554 -214.251 13.0468 4.74713 -217.716 13.1045 4.71436 -221.237 13.1547 4.66923 -224.816 13.1992 4.62453 -228.452 13.2403 4.58026 -232.147 13.2787 4.53640 -235.902 13.3151 4.49297 -239.717 13.3497 4.44996 -243.595 13.3826 4.40736 -247.535 13.4142 4.36517 -251.538 13.4455 4.32337 -255.607 13.4751 4.27973 -259.741 13.5024 4.23643 -263.942 13.5281 4.19356 -268.211 13.5526 4.15114 -272.549 13.5762 4.10913 -276.957 13.5998 4.06757 -281.437 13.6254 4.02641 -285.989 13.6546 3.97627 -290.615 13.6753 3.91967 -295.315 13.6883 3.86388 -300.092 13.6971 3.80888 -304.945 13.7024 3.75467 -309.878 13.7052 3.70108 -314.890 13.7041 3.64593 -319.983 13.6990 3.59160 -325.158 13.6904 3.53808 -330.418 13.6788 3.48536 -335.762 13.6649 3.43342 -341.192 13.6502 3.38225 -346.711 13.6403 3.32358 -352.319 13.6177 3.25457 -358.017 13.5822 3.18699 -363.808 13.5385 3.12082 -369.692 13.4868 3.05602 -375.672 13.4271 2.99257 -381.748 13.3567 2.93128 -387.922 13.2802 2.87576 -394.197 13.1979 2.82130 -400.573 13.1076 2.76786 -407.052 13.0080 2.71544 -413.635 12.8961 2.66401 -420.326 12.7722 2.62216 -427.124 12.6426 2.58535 -434.032 12.5059 2.54906 -441.052 12.3581 2.51328 -448.186 12.1973 2.47800 -455.435 12.0211 2.44321 -462.802 11.8276 2.40891 -470.287 11.6128 2.37331 -477.894 11.3718 2.33783 -485.623 11.0998 2.30288 -493.478 10.7910 2.26845 -501.459 10.4372 2.23369 -509.570 10.0234 2.19700 -517.812 9.53189 2.16092 -526.187 8.93605 2.12543 -534.698 8.19279 2.09052 -543.346 7.22049 2.05073 -552.134 5.84898 2.00951 -561.065 3.63220 1.96911 -570.139 -1.71588 1.92952 -574.000 -19.0823 1.91311 -574.200 -19.0554 16.9731 -579.361 0.236457 16.6980 -588.732 5.44090 16.2158 -598.254 8.01928 15.7475 -607.930 9.72452 15.2927 -617.763 10.9633 14.8511 -627.755 11.8856 14.4222 -637.908 12.5022 14.0840 -648.226 13.0405 13.8947 -658.711 13.5209 13.7079 -669.365 13.8513 13.6002 -680.191 14.2408 13.6681 -691.193 14.6876 13.7363 -702.372 15.1652 13.8049 -713.733 15.6739 13.8739 -725.277 16.2705 13.9432 -737.008 16.9638 13.8818 -748.928 17.5409 13.6463 -761.042 18.0269 13.4147 -773.351 18.4647 13.1871 -785.859 18.8693 12.9633 -798.570 19.2504 12.7434 -811.486 19.6154 12.5271 -824.611 19.9809 12.3146 -837.949 20.3728 12.0750 -851.502 20.7046 11.7601 -865.274 20.9807 11.4535 -879.269 21.2197 11.1548 -893.491 21.4210 10.8640 -907.943 21.5985 10.6084 -922.628 21.7721 10.3697 -937.551 21.9447 10.1364 -952.715 22.1159 9.90832 -968.124 22.2784 9.66533 -983.783 22.4209 9.42121 -999.695 22.5383 9.18323 -1015.86 22.6403 8.96464 -1032.29 22.7442 8.76097 -1048.99 22.8470 8.55910 -1065.96 22.9426 8.35889 -1083.20 23.0314 8.16331 -1100.72 23.1142 7.97230 -1118.52 23.1916 7.78577 -1136.61 23.2639 7.60367 -1155. 23.3314 7.42578 -1173.68 23.3946 7.25203 -1192.66 23.4538 7.08232 -1211.95 23.5092 6.91659 -1231.55 23.5617 6.75476 -1251.47 23.6115 6.59544 -1271.72 23.6583 6.43840 -1292.29 23.7003 6.28328 -1313.19 23.7383 6.13203 -1334.43 23.7731 5.98442 -1356.01 23.8049 5.84031 -1377.94 23.8341 5.69960 -1400.23 23.8609 5.56231 -1422.88 23.8859 5.42842 -1445.89 23.9094 5.29766 -1469.28 23.9323 5.16918 -1493.04 23.9549 5.04252 -1517.19 23.9742 4.91365 -1541.73 23.9892 4.78734 -1566.67 24.0007 4.66424 -1592.01 24.0097 4.54428 -1617.76 24.0164 4.42741 -1643.92 24.0213 4.31358 -1670.51 24.0246 4.20273 -1697.53 24.0266 4.09471 -1724.99 24.0284 3.98944 -1752.89 24.0289 3.88464 -1781.24 24.0271 3.78189 -1810.05 24.0233 3.68136 -1839.32 24.0177 3.58346 -1869.07 24.0108 3.48813 -1899.30 24.0025 3.39529 -1930.02 23.9931 3.30503 -1961.24 23.9828 3.21715 -1992.96 23.9712 3.13149 -2025.20 23.9602 3.04953 -2057.95 23.9489 2.96747 -2091.24 23.9360 2.88736 -2125.06 23.9221 2.80927 -2159.43 23.9075 2.73328 -2194.36 23.8922 2.65900 -2229.85 23.8761 2.58670 -2265.92 23.8594 2.51626 -2302.57 23.8422 2.44764 -2339.81 23.8244 2.38074 -2377.66 23.8061 2.31562 -2416.11 23.7873 2.25217 -2455.19 23.7680 2.19040 -2494.90 23.7484 2.13022 -2535.26 23.7283 2.07164 -2576.26 23.7078 2.01462 -2617.93 23.6870 1.95910 -2660.27 23.6658 1.90508 -2703.30 23.6443 1.85248 -2747.03 23.6225 1.80129 -2791.46 23.6003 1.75148 -2836.61 23.5779 1.70302 -2882.49 23.5551 1.65585 -2929.11 23.5321 1.60998 -2976.48 23.5087 1.56538 -3024.63 23.4851 1.52199 -3073.55 23.4612 1.47977 -3123.26 23.4370 1.43872 -3173.78 23.4125 1.39879 -3225.11 23.3876 1.35997 -3277.27 23.3625 1.32222 -3330.28 23.3369 1.28553 -3384.15 23.3110 1.24984 -3438.88 23.2848 1.21514 -3494.50 23.2580 1.18141 -3551.02 23.2309 1.14865 -3608.46 23.2032 1.11679 -3666.82 23.1750 1.08584 -3726.13 23.1462 1.05572 -3786.40 23.1168 1.02652 -3847.64 23.0868 0.998083 -3909.87 23.0559 0.970477 -3973.11 23.0242 0.943626 -4037.38 22.9916 0.917573 -4102.68 22.9579 0.892240 -4169.03 22.9230 0.867643 -4236.46 22.8869 0.843758 -4304.98 22.8493 0.820552 -4374.62 22.8101 0.797991 -4445.37 22.7690 0.776062 -4517.27 22.7258 0.754774 -4590.33 22.6802 0.734148 -4664.58 22.6318 0.714069 -4740.03 22.5801 0.694568 -4816.69 22.5247 0.675635 -4894.60 22.4649 0.657233 -4973.77 22.3997 0.639384 -5054.21 22.3282 0.622042 -5135.96 22.2489 0.605222 -5219.03 22.1598 0.588872 -5303.44 22.0584 0.573005 -5389.22 21.9407 0.557598 -5476.39 21.8010 0.542637 -5564.97 21.6299 0.528113 -5654.98 21.4109 0.514006 -5746.44 21.1106 0.500319 -5839.39 20.6438 0.487031 -5933.83 19.6430 0.474127 -5989.10 12.9181 0.466827 -5989.30 12.9188 3.84485 -6029.81 19.4157 3.80769 -6127.33 20.8006 3.72069 -6226.44 21.4313 3.63494 -6327.15 21.8497 3.55039 -6429.48 22.1641 3.46704 -6533.48 22.4157 3.38494 -6639.15 22.6249 3.30411 -6746.54 22.8033 3.22458 -6855.65 22.9580 3.14646 -6966.54 23.0941 3.06960 -7079.22 23.2149 2.99403 -7193.72 23.3229 2.91988 -7310.07 23.4201 2.84713 -7428.31 23.5080 2.77573 -7548.45 23.5878 2.70561 -7670.54 23.6604 2.63695 -7794.61 23.7267 2.56957 -7920.68 23.7872 2.50359 -8048.79 23.8426 2.43897 -8178.98 23.8935 2.37572 -8311.26 23.9401 2.31377 -8445.69 23.9829 2.25320 -8582.29 24.0222 2.19383 -8721.11 24.0582 2.13579 -8862.16 24.0913 2.07909 -9005.50 24.1217 2.02361 -9151.16 24.1495 1.96941 -9299.17 24.1750 1.91639 -9449.58 24.1982 1.86463 -9602.42 24.2194 1.81416 -9757.73 24.2388 1.76483 -9915.55 24.2564 1.71658 -10075.9 24.2724 1.66954 -10238.9 24.2868 1.62365 -10404.5 24.2999 1.57886 -10572.8 24.3116 1.53517 -10743.8 24.3220 1.49256 -10917.6 24.3313 1.45100 -11094.2 24.3396 1.41047 -11273.6 24.3468 1.37097 -11455.9 24.3530 1.33246 -11641.2 24.3584 1.29493 -11829.5 24.3630 1.25835 -12020.8 24.3668 1.22272 -12215.3 24.3698 1.18800 -12412.8 24.3722 1.15419 -12613.6 24.3740 1.12126 -12817.6 24.3751 1.08919 -13025.0 24.3758 1.05796 -13235.6 24.3759 1.02756 -13449.7 24.3755 0.997965 -13667.2 24.3748 0.969160 -13888.3 24.3735 0.941126 -14112.9 24.3720 0.913845 -14341.2 24.3700 0.887300 -14573.1 24.3678 0.861474 -14808.9 24.3652 0.836350 -15048.4 24.3623 0.811911 -15291.8 24.3592 0.788142 -15539.1 24.3559 0.765025 -15790.4 24.3523 0.742545 -16045.8 24.3486 0.720686 -16305.4 24.3446 0.699433 -16569.1 24.3405 0.678772 -16837.1 24.3363 0.658686 -17109.4 24.3319 0.639163 -17386.1 24.3274 0.620187 -17667.4 24.3228 0.601744 -17953.1 24.3180 0.583822 -18243.5 24.3132 0.566407 -18538.6 24.3084 0.549485 -18838.4 24.3034 0.533044 -19143.1 24.2984 0.517072 -19452.7 24.2934 0.501556 -19767.4 24.2883 0.486483 -20087.1 24.2832 0.471843 -20412.0 24.2780 0.457624 -20742.1 24.2729 0.443815 -21077.6 24.2677 0.430403 -21418.5 24.2626 0.417381 -21765.0 24.2574 0.404735 -22117.0 24.2522 0.392457 -22474.7 24.2471 0.380537 -22838.2 24.2419 0.368964 -23207.6 24.2368 0.357729 -23583.0 24.2318 0.346822 -23964.4 24.2267 0.336236 -24352.0 24.2217 0.325960 -24745.9 24.2167 0.315987 -25146.2 24.2117 0.306308 -25552.9 24.2068 0.296914 -25966.2 24.2020 0.287798 -26386.1 24.1971 0.278952 -26812.9 24.1924 0.270369 -27246.6 24.1876 0.262040 -27687.3 24.1830 0.253960 -28135.1 24.1784 0.246119 -28590.2 24.1738 0.238513 -29052.6 24.1694 0.231135 -29522.5 24.1656 0.223976 -30000.0 24.1584 0.217033 +# Cr from F. Delmotte et al, J. Appl. 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+20927.7 77.3997 6.20149 +21189.8 77.4286 6.07870 +21455.2 77.4552 5.95834 +21723.9 77.4795 5.84035 +21995.9 77.5018 5.72471 +22271.4 77.5221 5.61136 +22550.3 77.5408 5.50025 +22832.7 77.5578 5.39135 +23118.7 77.5733 5.28408 +23408.2 77.5870 5.17841 +23701.3 77.5989 5.07485 +23998.2 77.6091 4.97336 +24298.7 77.6176 4.87390 +24603.0 77.6238 4.77667 +24911.1 77.6293 4.68342 +25223.1 77.6355 4.59200 +25539.0 77.6415 4.50235 +25858.8 77.6479 4.41446 +26182.6 77.6562 4.32827 +26510.5 77.6629 4.23758 +26842.5 77.6675 4.14676 +27178.7 77.6689 4.05789 +27519.1 77.6679 3.97092 +27863.7 77.6655 3.88581 +28212.7 77.6618 3.80253 +28566.0 77.6571 3.72103 +28923.7 77.6515 3.64129 +29285.9 77.6450 3.56324 +29652.7 77.6385 3.48687 +30000.0 77.6329 3.41691 diff --git a/periodictable/xsf/read.me b/periodictable/xsf/read.me index fd98021..9821090 100644 --- a/periodictable/xsf/read.me +++ b/periodictable/xsf/read.me @@ -55,6 +55,11 @@ for more recent updates. ======== ========== ================= Element Updated Energy Range (eV) ======== ========== ================= +Pt Aug 2023 0.1-800 +Cr Aug 2023 0.4-813 +Nb Aug 2023 10-1000 +Y Aug 2023 50-1300 +Er Aug 2023 3-1580 Mg Jan 2011 10-1300 Zr Apr 2010 20-1000 La Jun 2007 14-440 diff --git a/periodictable/xsf/ta.nff b/periodictable/xsf/ta.nff index 4bdba10..0ec3a25 100644 --- a/periodictable/xsf/ta.nff +++ b/periodictable/xsf/ta.nff @@ -1,515 +1,717 @@ -E(eV) f1 f2 -10.0000 -9999. 3.13720 -10.1617 -9999. 3.25228 -10.3261 -9999. 3.37159 -10.4931 -9999. 3.49517 -10.6628 -9999. 3.62199 -10.8353 -9999. 3.75342 -11.0106 -9999. 3.88962 -11.1886 -9999. 4.03075 -11.3696 -9999. 4.17701 -11.5535 -9999. 4.32468 -11.7404 -9999. 4.46988 -11.9303 -9999. 4.61995 -12.1232 -9999. 4.77507 -12.3193 -9999. 4.93539 -12.5186 -9999. 5.10109 -12.7210 -9999. 5.24026 -12.9268 -9999. 5.37713 -13.1359 -9999. 5.51759 -13.3483 -9999. 5.66171 -13.5642 -9999. 5.80960 -13.7836 -9999. 5.96135 -14.0066 -9999. 6.07338 -14.2331 -9999. 6.15358 -14.4633 -9999. 6.23483 -14.6973 -9999. 6.31717 -14.9350 -9999. 6.40058 -15.1765 -9999. 6.48280 -15.4220 -9999. 6.55992 -15.6714 -9999. 6.63795 -15.9249 -9999. 6.71691 -16.1825 -9999. 6.79680 -16.4442 -9999. 6.86154 -16.7102 -9999. 6.84686 -16.9805 -9999. 6.83221 -17.2551 -9999. 6.81760 -17.5342 -9999. 6.80302 -17.8178 -9999. 6.73782 -18.1060 -9999. 6.66358 -18.3989 -9999. 6.59014 -18.6964 -9999. 6.51752 -18.9988 -9999. 6.44570 -19.3061 -9999. 6.37067 -19.6184 -9999. 6.29552 -19.9357 -9999. 6.22126 -20.2582 -9999. 6.14788 -20.5858 -9999. 6.07537 -20.9188 -9999. 6.00371 -21.2571 -9999. 5.93288 -21.6009 -9999. 5.86290 -21.9503 -9999. 5.79375 -22.3053 -9999. 5.72541 -22.6661 -9999. 5.64529 -23.0327 -9999. 5.54004 -23.4053 -9999. 5.43674 -23.7838 -9999. 5.33538 -24.1685 -9999. 5.23590 -24.5594 -9999. 5.15222 -24.9566 -9999. 5.07690 -25.3603 -9999. 5.00269 -25.7705 -9999. 4.92956 -26.1873 -9999. 4.85750 -26.6109 -9999. 4.78650 -27.0413 -9999. 4.71985 -27.4786 -9999. 4.67861 -27.9231 -9999. 4.63772 -28.3747 -9999. 4.59720 -28.8337 -9999. 4.55590 -29.3000 1.97824 4.50988 -29.7739 1.67726 4.46433 -30.2555 1.33733 4.55361 -30.7449 1.01580 4.65269 -31.2421 0.647242 4.75393 -31.7475 0.214456 5.02013 -32.2609 -0.119069 5.36774 -32.7827 -0.405135 5.73941 -33.3130 -0.659484 6.13681 -33.8518 -0.887586 6.56174 -34.3993 -1.09200 7.01697 -34.9557 -1.26731 7.51043 -35.5211 -1.40818 8.03858 -36.0956 -1.50978 8.60389 -36.6794 -1.56306 9.20893 -37.2727 -1.53669 9.85654 -37.8755 -1.36993 10.4630 -38.4882 -1.24061 11.0174 -39.1107 -1.09937 11.6011 -39.7432 -0.909361 12.2157 -40.3861 -0.635268 12.8629 -41.0393 -0.267859 13.4251 -41.7031 0.819637E-01 13.9630 -42.3776 0.463006 14.5224 -43.0630 0.911653 15.1042 -43.7595 1.50220 15.6787 -44.4673 2.11311 16.0596 -45.1865 2.70208 16.4497 -45.9174 3.33137 16.8493 -46.6600 4.09616 17.1763 -47.4147 4.79686 17.3444 -48.1816 5.46219 17.5141 -48.9609 6.13445 17.6855 -49.7528 6.85896 17.8585 -50.5576 7.72304 18.0333 -51.3753 8.62639 17.8674 -52.2062 9.37180 17.6491 -53.0506 10.0708 17.4336 -53.9087 10.8099 17.2206 -54.7806 11.5646 16.7637 -55.6667 12.1136 16.2323 -56.5670 12.5479 15.7179 -57.4820 12.9007 15.2197 -58.4117 13.1791 14.7373 -59.3564 13.4077 14.3109 -60.3165 13.6136 13.9004 -61.2921 13.7931 13.5017 -62.2834 13.9443 13.1144 -63.2908 14.0686 12.7383 -64.3145 14.1669 12.3729 -65.3547 14.2401 12.0180 -66.4118 14.2883 11.6733 -67.4859 14.3109 11.3385 -68.5775 14.3059 11.0133 -69.6867 14.2671 10.6973 -70.8138 14.1701 10.3937 -71.9591 14.0672 10.1993 -73.1230 13.9852 10.0086 -74.3057 13.9001 9.82835 -75.5076 13.8176 9.66050 -76.7289 13.7282 9.49552 -77.9699 13.6173 9.33334 -79.2310 13.4489 9.17394 -80.5125 13.2834 9.14489 -81.8147 13.1704 9.12327 -83.1380 13.0792 9.10170 -84.4827 12.9990 9.08018 -85.8491 12.9243 9.05872 -87.2377 12.8505 9.03731 -88.6487 12.7705 9.01881 -90.0825 12.6935 9.01381 -91.5395 12.6187 9.00882 -93.0201 12.5413 9.00383 -94.5246 12.4568 8.99884 -96.0535 12.3601 8.99386 -97.6071 12.2371 8.98888 -99.1858 12.0351 9.03862 -100.790 11.8965 9.16727 -102.420 11.8005 9.29776 -104.077 11.7206 9.43010 -105.760 11.6522 9.56433 -107.471 11.5920 9.70046 -109.209 11.5371 9.83853 -110.975 11.4834 9.97857 -112.770 11.4187 10.1206 -114.594 11.3497 10.3038 -116.448 11.3112 10.5067 -118.331 11.2928 10.7137 -120.245 11.2903 10.9247 -122.190 11.3038 11.1399 -124.166 11.3357 11.3594 -126.175 11.4011 11.5702 -128.215 11.4589 11.7520 -130.289 11.5128 11.9366 -132.397 11.5679 12.1242 -134.538 11.6267 12.3147 -136.714 11.6904 12.5081 -138.925 11.7612 12.7046 -141.172 11.8481 12.9023 -143.456 11.9327 13.0791 -145.776 12.0063 13.2584 -148.134 12.0765 13.4522 -150.530 12.1558 13.6543 -152.964 12.2419 13.8594 -155.439 12.3340 14.0677 -157.953 12.4322 14.2790 -160.507 12.5374 14.4936 -163.103 12.6532 14.7114 -165.742 12.7899 14.9132 -168.422 12.9049 15.0953 -171.146 12.9848 15.2970 -173.915 13.0711 15.5258 -176.727 13.1768 15.7888 -179.586 13.3044 16.0575 -182.491 13.4519 16.3307 -185.442 13.6176 16.6080 -188.442 13.8050 16.8898 -191.489 14.0305 17.1683 -194.587 14.2621 17.4096 -197.734 14.4986 17.6412 -200.932 14.7289 17.8649 -204.182 14.9616 18.0913 -207.485 15.2031 18.3208 -210.840 15.4670 18.5535 -214.251 15.7375 18.7488 -217.716 16.0041 18.9378 -221.237 16.2616 19.1222 -224.816 16.5170 19.3079 -228.452 16.7730 19.4957 -232.147 17.0316 19.6854 -235.902 17.2945 19.8774 -239.717 17.5627 20.0710 -243.595 17.8372 20.2662 -247.535 18.1188 20.4629 -251.538 18.4086 20.6618 -255.607 18.7089 20.8630 -259.741 19.0223 21.0663 -263.942 19.3521 21.2713 -268.211 19.7031 21.4780 -272.549 20.0898 21.6869 -276.957 20.5517 21.8418 -281.437 20.9902 21.9268 -285.989 21.3890 21.9666 -290.615 21.7581 22.0002 -295.315 22.1050 22.0338 -300.092 22.4393 22.0677 -304.945 22.7639 22.1017 -309.878 23.0806 22.1355 -314.890 23.3905 22.1694 -319.983 23.6948 22.2032 -325.158 23.9937 22.2369 -330.418 24.2880 22.2711 -335.762 24.5782 22.3053 -341.192 24.8642 22.3392 -346.711 25.1457 22.3733 -352.319 25.4227 22.4076 -358.017 25.6955 22.4424 -363.808 25.9630 22.4769 -369.692 26.2242 22.5112 -375.672 26.4759 22.5451 -381.748 26.7145 22.5802 -387.922 26.9332 22.6188 -394.197 27.0923 22.6646 -400.573 27.2409 22.8306 -407.052 27.4655 23.0463 -413.635 27.7411 23.2654 -420.326 28.0552 23.4852 -427.124 28.4045 23.7069 -434.032 28.7933 23.9315 -441.052 29.2281 24.1581 -448.186 29.7977 24.3604 -455.435 30.3773 24.4309 -462.802 30.9341 24.4070 -470.287 31.4285 24.3326 -477.894 31.8690 24.2592 -485.623 32.2864 24.1856 -493.478 32.6867 24.1118 -501.459 33.0730 24.0375 -509.570 33.4492 23.9639 -517.812 33.8243 23.8861 -526.187 34.1903 23.7917 -534.698 34.5275 23.6650 -543.346 34.7921 23.5229 -552.134 34.8901 23.3826 -561.065 34.9467 23.7024 -570.139 35.5102 24.1839 -579.361 36.2270 24.1955 -588.732 36.8945 24.0659 -598.254 37.4335 23.8475 -607.930 37.9034 23.6311 -617.763 38.3363 23.4165 -627.755 38.7489 23.2027 -637.908 39.1456 22.9781 -648.226 39.5222 22.7368 -658.711 39.8637 22.4858 -669.365 40.1695 22.2374 -680.191 40.4459 22.0257 -691.193 40.7325 21.8417 -702.372 41.0553 21.6614 -713.733 41.3883 21.4386 -725.277 41.6874 21.1880 -737.008 41.9626 20.9402 -748.928 42.2228 20.6951 -761.042 42.4721 20.4527 -773.351 42.7141 20.2104 -785.859 42.9476 19.9629 -798.570 43.1653 19.7119 -811.486 43.3700 19.4637 -824.611 43.5643 19.2185 -837.949 43.7513 18.9765 -851.502 43.9311 18.7330 -865.274 44.1027 18.4878 -879.269 44.2619 18.2416 -893.491 44.4111 17.9985 -907.943 44.5529 17.7586 -922.628 44.6941 17.5219 -937.551 44.8257 17.2695 -952.715 44.9436 17.0158 -968.124 45.0449 16.7615 -983.783 45.1335 16.5109 -999.695 45.2119 16.2627 -1015.86 45.2830 16.0170 -1032.29 45.3414 15.7633 -1048.99 45.3852 15.5100 -1065.96 45.4114 15.2568 -1083.20 45.4218 15.0076 -1100.72 45.4174 14.7623 -1118.52 45.3986 14.5209 -1136.61 45.3655 14.2833 -1155. 45.3179 14.0494 -1173.68 45.2555 13.8193 -1192.66 45.1779 13.5924 -1211.95 45.0845 13.3693 -1231.55 44.9767 13.1499 -1251.47 44.8529 12.9282 -1271.72 44.7095 12.7043 -1292.29 44.5375 12.4769 -1313.19 44.3361 12.2532 -1334.43 44.1049 12.0334 -1356.01 43.8418 11.8176 -1377.94 43.5436 11.6053 -1400.23 43.2061 11.3968 -1422.88 42.8246 11.1921 -1445.89 42.3922 10.9904 -1469.28 41.9004 10.7918 -1493.04 41.3389 10.5961 -1517.19 40.6902 10.3998 -1541.73 39.9330 10.2065 -1566.67 39.0388 10.0168 -1592.01 37.9653 9.83048 -1617.76 36.6451 9.64752 -1643.92 34.9623 9.46783 -1670.51 32.6905 9.29154 -1697.53 29.2697 9.11830 -1724.99 22.0968 8.94782 -1735. 4.24359 8.88710 -1735.20 4.15165 19.7275 -1752.89 19.0016 23.0041 -1781.24 20.1406 29.3353 -1810.05 26.4010 37.4091 -1839.32 33.8200 38.2464 -1869.07 38.0706 37.3684 -1899.30 41.0410 36.5105 -1930.02 43.3374 35.6714 -1961.24 45.1885 34.8515 -1992.96 46.7053 34.0503 -2025.20 47.9578 33.2750 -2057.95 48.9736 32.5099 -2091.24 49.7460 31.7623 -2125.06 50.2181 31.0313 -2159.43 50.1454 30.3178 -2193.90 41.8841 29.6298 -2194.10 41.8914 34.5927 -2194.36 43.9311 34.5862 -2229.85 52.0931 33.7286 -2265.92 53.9219 32.8926 -2302.57 55.1844 32.0767 -2339.81 56.1508 31.2817 -2377.66 56.8921 30.5072 -2416.11 57.3862 29.7511 -2455.19 57.2830 29.0142 -2468.60 54.4774 28.7682 -2468.80 54.4810 30.7128 -2494.90 58.3585 30.2252 -2535.26 59.5054 29.4962 -2576.26 60.2863 28.7842 -2617.93 60.8784 28.0897 -2660.27 61.2837 27.4133 -2703.30 60.9856 26.7526 -2707.90 59.8129 26.6835 -2708.10 59.8221 27.7560 -2747.03 62.2261 27.2313 -2791.46 62.9476 26.6532 -2836.61 63.5314 26.0836 -2882.49 64.0434 25.5214 -2929.11 64.5045 24.9680 -2976.48 64.9260 24.4237 -3024.63 65.3131 23.8872 -3073.55 65.6705 23.3605 -3123.26 66.0014 22.8422 -3173.78 66.3080 22.3330 -3225.11 66.5922 21.8327 -3277.27 66.8559 21.3416 -3330.28 67.1003 20.8592 -3384.15 67.3272 20.3867 -3438.88 67.5376 19.9224 -3494.50 67.7322 19.4673 -3551.02 67.9126 19.0213 -3608.46 68.0793 18.5836 -3666.82 68.2327 18.1547 -3726.13 68.3743 17.7348 -3786.40 68.5039 17.3227 -3847.64 68.6226 16.9200 -3909.87 68.7314 16.5253 -3973.11 68.8304 16.1388 -4037.38 68.9202 15.7604 -4102.68 69.0012 15.3901 -4169.03 69.0739 15.0276 -4236.46 69.1387 14.6729 -4304.98 69.1961 14.3258 -4374.62 69.2463 13.9862 -4445.37 69.2897 13.6539 -4517.27 69.3265 13.3289 -4590.33 69.3573 13.0113 -4664.58 69.3822 12.7004 -4740.03 69.4013 12.3965 -4816.69 69.4150 12.0994 -4894.60 69.4235 11.8088 -4973.77 69.4271 11.5248 -5054.21 69.4258 11.2471 -5135.96 69.4198 10.9758 -5219.03 69.4094 10.7105 -5303.44 69.3946 10.4515 -5389.22 69.3756 10.1981 -5476.39 69.3525 9.95074 -5564.97 69.3256 9.70905 -5654.98 69.2946 9.47265 -5746.44 69.2597 9.24197 -5839.39 69.2210 9.01663 -5933.83 69.1786 8.79649 -6029.81 69.1324 8.58146 -6127.33 69.0824 8.37138 -6226.44 69.0286 8.16637 -6327.15 68.9711 7.96623 -6429.48 68.9097 7.77072 -6533.48 68.8443 7.57977 -6639.15 68.7747 7.39339 -6746.54 68.7010 7.21144 -6855.65 68.6227 7.03362 -6966.54 68.5396 6.86032 -7079.22 68.4517 6.69110 -7193.72 68.3584 6.52574 -7310.07 68.2593 6.36455 -7428.31 68.1541 6.20713 -7548.45 68.0419 6.05341 -7670.54 67.9222 5.90358 -7794.61 67.7940 5.75720 -7920.68 67.6562 5.61435 -8048.79 67.5074 5.47501 -8178.98 67.3461 5.33911 -8311.26 67.1701 5.20646 -8445.69 66.9767 5.07705 -8582.29 66.7618 4.95039 -8721.11 66.5205 4.82720 -8862.16 66.2459 4.70686 -9005.50 65.9271 4.58942 -9151.16 65.5475 4.47489 -9299.17 65.0790 4.36318 -9449.58 64.4664 4.25404 -9602.42 63.5787 4.14765 -9757.73 61.9472 4.04384 -9881. 47.4734 3.96442 -9881.20 47.4747 10.4207 -9915.55 59.4412 10.3542 -10075.9 63.0151 10.0527 -10238.9 64.1843 9.75991 -10404.5 64.8094 9.47567 -10572.8 65.1371 9.19970 -10743.8 65.2157 8.93178 -10917.6 64.9575 8.67165 -11094.2 63.4845 8.41911 -11136.0 57.0506 8.36092 -11136.2 57.0520 11.7588 -11273.6 65.0180 11.4902 -11455.9 65.9758 11.1481 -11641.2 65.9661 10.8162 -11681.4 63.5302 10.7462 -11681.6 63.5307 12.0831 -11829.5 67.0386 11.8723 -12020.8 67.8327 11.6088 -12215.3 68.4049 11.3488 -12412.8 68.8701 11.0923 -12613.6 69.2660 10.8395 -12817.6 69.6112 10.5905 -13025.0 69.9168 10.3453 -13235.6 70.1900 10.1039 -13449.7 70.4360 9.86656 -13667.2 70.6588 9.63316 -13888.3 70.8612 9.40379 -14112.9 71.0457 9.17846 -14341.2 71.2142 8.95720 -14573.1 71.3683 8.74000 -14808.9 71.5094 8.52689 -15048.4 71.6387 8.31784 -15291.8 71.7572 8.11286 -15539.1 71.8657 7.91194 -15790.4 71.9652 7.71503 -16045.8 72.0562 7.52215 -16305.4 72.1393 7.33323 -16569.1 72.2153 7.14827 -16837.1 72.2845 6.96723 -17109.4 72.3474 6.79006 -17386.1 72.4045 6.61673 -17667.4 72.4562 6.44719 -17953.1 72.5027 6.28140 -18243.5 72.5446 6.11931 -18538.6 72.5819 5.96088 -18838.4 72.6151 5.80605 -19143.1 72.6444 5.65477 -19452.7 72.6701 5.50699 -19767.4 72.6923 5.36265 -20087.1 72.7113 5.22170 -20412.0 72.7273 5.08408 -20742.1 72.7405 4.94974 -21077.6 72.7510 4.81861 -21418.5 72.7590 4.69065 -21765.0 72.7647 4.56580 -22117.0 72.7683 4.44399 -22474.7 72.7698 4.32517 -22838.2 72.7693 4.20929 -23207.6 72.7671 4.09628 -23583.0 72.7632 3.98608 -23964.4 72.7577 3.87865 -24352.0 72.7507 3.77392 -24745.9 72.7424 3.67185 -25146.2 72.7327 3.57236 -25552.9 72.7219 3.47541 -25966.2 72.7099 3.38095 -26386.1 72.6968 3.28891 -26812.9 72.6828 3.19925 -27246.6 72.6678 3.11191 -27687.3 72.6520 3.02684 -28135.1 72.6354 2.94399 -28590.2 72.6182 2.86331 -29052.6 72.6007 2.78475 -29522.5 72.5898 2.70825 -30000.0 72.5392 2.63378 + ta, Z=73, updated with ALS measurements from 2008 +10.0000 -9999. 3.16064 +10.1152 -9999. 3.23709 +10.2317 -9999. 3.31539 +10.3496 -9999. 3.39558 +10.4688 -9999. 3.47772 +10.5894 -9999. 3.56683 +10.7114 -9999. 3.65875 +10.8348 -9999. 3.75304 +10.9596 -9999. 3.84976 +11.0859 -9999. 3.94897 +11.2136 -9999. 4.05074 +11.3428 -9999. 4.15513 +11.4734 -9999. 4.26222 +11.6056 -9999. 4.36492 +11.7393 -9999. 4.46904 +11.8745 -9999. 4.57565 +12.0113 -9999. 4.68480 +12.1497 -9999. 4.79655 +12.2897 -9999. 4.91097 +12.4312 -9999. 5.02812 +12.5744 -9999. 5.14354 +12.7193 -9999. 5.23910 +12.8658 -9999. 5.33644 +13.0140 -9999. 5.43558 +13.1640 -9999. 5.53656 +13.3156 -9999. 5.63941 +13.4690 -9999. 5.74418 +13.6242 -9999. 5.85089 +13.7811 -9999. 5.95960 +13.9399 -9999. 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29.2422 3.94914 +1886.80 28.8524 3.86431 +1917.31 28.3851 3.78131 +1948.33 27.8076 3.70009 +1979.84 27.0600 3.62061 +2011.86 26.0134 3.54284 +2044.40 24.2835 3.46674 +2077.47 17.6217 3.39227 +2079.90 9.66472 3.38691 +2080.10 9.66677 11.1239 +2111.07 23.4143 10.7683 +2124. 23.9091 10.6247 +2141. 23.8153 10.4401 +2155.40 18.3909 10.2874 +2155.60 18.3957 14.0289 +2175.63 25.2657 13.9148 +2210.82 27.2462 13.7190 +2246.58 28.4477 13.5260 +2282.91 29.3378 13.3243 +2319.84 29.9527 12.9956 +2357.36 30.0481 12.6750 +2372.40 27.8797 12.5501 +2372.60 27.8872 14.1143 +2395.49 30.8147 13.9530 +2434.23 31.8187 13.6874 +2473.60 32.5266 13.4268 +2513.61 33.1118 13.1712 +2554.27 33.6211 12.9205 +2595.58 34.0762 12.6746 +2637.56 34.4901 12.4333 +2680.22 34.8718 12.1966 +2723.57 35.2255 11.9645 +2767.63 35.5799 11.7367 +2812.39 35.9242 11.5133 +2857.88 36.2443 11.2220 +2904.10 36.5185 10.9337 +2951.07 36.7589 10.6529 +2998.80 36.9741 10.3792 +3047.31 37.1683 10.1126 +3096.59 37.3442 9.85285 +3146.68 37.5041 9.59977 +3197.57 37.6493 9.35318 +3249.29 37.7811 9.11290 +3301.85 37.8999 8.87882 +3355.25 38.0065 8.65225 +3409.52 38.1040 8.43767 +3464.67 38.1957 8.22841 +3520.71 38.2817 8.02432 +3577.65 38.3613 7.82531 +3635.52 38.4350 7.63124 +3694.32 38.5034 7.44198 +3754.07 38.5675 7.25741 +3814.79 38.6304 7.07740 +3876.49 38.6853 6.89212 +3939.19 38.7322 6.71166 +4002.90 38.7719 6.53592 +4067.65 38.8035 6.36478 +4133.44 38.8283 6.19813 +4200.29 38.8437 6.04342 +4268.23 38.8621 5.90107 +4337.26 38.8821 5.76208 +4407.42 38.9018 5.62636 +4478.70 38.9208 5.49384 +4551.14 38.9387 5.36443 +4624.75 38.9558 5.23808 +4699.55 38.9721 5.11470 +4775.57 38.9880 4.99423 +4852.81 39.0044 4.87660 +4931.30 39.0242 4.76049 +5011.06 39.0423 4.63518 +5092.11 39.0527 4.51318 +5174.47 39.0583 4.39439 +5258.16 39.0614 4.27873 +5343.21 39.0621 4.16611 +5429.63 39.0608 4.05645 +5517.45 39.0577 3.94968 +5606.69 39.0530 3.84572 +5697.37 39.0469 3.74450 +5789.52 39.0394 3.64595 +5883.16 39.0308 3.54998 +5978.32 39.0210 3.45654 +6075.01 39.0103 3.36556 +6173.27 38.9986 3.27698 +6273.12 38.9861 3.19073 +6374.58 38.9728 3.10675 +6477.69 38.9588 3.02498 +6582.46 38.9442 2.94535 +6688.92 38.9289 2.86783 +6797.11 38.9132 2.79234 +6907.05 38.8970 2.71885 +7018.77 38.8803 2.64729 +7132.29 38.8633 2.57761 +7247.65 38.8460 2.50976 +7364.87 38.8284 2.44370 +7483.99 38.8106 2.37938 +7605.04 38.7928 2.31676 +7728.05 38.7749 2.25578 +7853.04 38.7573 2.19640 +7980.06 38.7414 2.13859 +8109.13 38.7260 2.08230 +8240.29 38.7110 2.01984 +8373.57 38.6919 1.95883 +8509. 38.6707 1.89967 +8646.63 38.6480 1.84229 +8786.48 38.6241 1.78665 +8928.60 38.5991 1.73269 +9073.01 38.5732 1.68036 +9219.76 38.5464 1.62961 +9368.88 38.5187 1.58039 +9520.41 38.4900 1.53265 +9674.40 38.4588 1.48636 +9830.88 38.4272 1.44147 +9989.88 38.3973 1.40445 +10151.5 38.3675 1.36519 +10315.7 38.3374 1.32701 +10482.5 38.3070 1.28990 +10652.0 38.2762 1.25381 +10824.3 38.2449 1.21872 +10999.4 38.2131 1.18461 +11177.3 38.1805 1.15144 +11358.1 38.1473 1.11919 +11541.8 38.1131 1.08785 +11728.5 38.0780 1.05737 +11918.2 38.0419 1.02774 +12111.0 38.0045 0.998937 +12306.8 37.9657 0.970937 +12505.9 37.9254 0.943717 +12708.2 37.8832 0.917257 +12913.7 37.8391 0.891535 +13122.6 37.7926 0.866531 +13334.8 37.7433 0.842225 +13550.5 37.6909 0.818598 +13769.7 37.6348 0.795631 +13992.4 37.5743 0.773305 +14218.7 37.5085 0.751604 +14448.7 37.4364 0.730509 +14682.4 37.3564 0.710004 +14919.8 37.2666 0.690073 +15161.2 37.1641 0.670698 +15406.4 37.0448 0.651866 +15655.6 36.9025 0.633559 +15908.8 36.7267 0.615765 +16166.1 36.4982 0.598468 +16427.6 36.1763 0.581655 +16693.3 35.6450 0.565311 +16963.3 34.1376 0.549424 +17036.5 27.4718 0.545235 +17036.7 27.4721 3.74568 +17237.6 35.2703 3.68006 +17516.4 36.2122 3.59212 +17799.8 36.7255 3.50562 +18087.7 37.0824 3.42058 +18380.2 37.3561 3.33701 +18677.5 37.5776 3.25492 +18979.6 37.7627 3.17432 +19286.6 37.9211 3.09521 +19598.5 38.0586 3.01760 +19915.5 38.1795 2.94149 +20237.6 38.2868 2.86688 +20564.9 38.3826 2.79375 +20897.6 38.4686 2.72211 +21235.6 38.5462 2.65194 +21579.0 38.6165 2.58324 +21928.1 38.6803 2.51600 +22282.7 38.7383 2.45020 +22643.1 38.7911 2.38583 +23009.4 38.8394 2.32287 +23381.5 38.8834 2.26132 +23759.7 38.9236 2.20114 +24144.0 38.9603 2.14234 +24534.5 38.9939 2.08488 +24931.3 39.0245 2.02875 +25334.6 39.0525 1.97393 +25744.3 39.0780 1.92040 +26160.7 39.1012 1.86815 +26583.9 39.1223 1.81714 +27013.8 39.1414 1.76737 +27450.8 39.1588 1.71880 +27894.8 39.1744 1.67142 +28345.9 39.1885 1.62521 +28804.4 39.2012 1.58014 +29270.3 39.2126 1.53620 +29743.7 39.2252 1.49336 +30000.0 39.2161 1.47090 From 48135c6fe85c7c039bd1c3c5ebd27b4cbd348600 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 8 Oct 2024 15:01:07 -0400 Subject: [PATCH 52/76] Use CODATA 2022 for physical constants --- ChangeLog.rst | 4 ++++ periodictable/constants.py | 40 +++++++++++++++++++----------------- periodictable/nsf.py | 42 +++++++++++++++++++------------------- periodictable/xsf.py | 13 ++++++------ test/test_density.py | 4 ++-- test/test_nsf.py | 4 ++-- 6 files changed, 57 insertions(+), 50 deletions(-) diff --git a/ChangeLog.rst b/ChangeLog.rst index 1915473..a9810d6 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -32,6 +32,10 @@ Modified: * Fix typos in uncertainties in the neutron table (Zr-90, Te-124, Ba-138, Sm-147) * Use correctactivation for Pb-208 which was entered as barns rather than mbarns * Use Aug 2023 update to CXRO scattering factors (Pt, Cr, Nb, Y, Er) +* Update physical constants to CODATA 2022. Relative change up to 1e-7 in + Avogadro number, Planck constant, J/eV, electron radius, electron mass, + neutron mass and atomic mass constant. `planck_constant` is now in J/Hz rather + than eV s. 2024-07-08 R1.7.1 ----------------- diff --git a/periodictable/constants.py b/periodictable/constants.py index 5eb3088..0d48e52 100644 --- a/periodictable/constants.py +++ b/periodictable/constants.py @@ -4,28 +4,30 @@ Various fundamental constants. """ -#: Avogadro's number (mol^-1) -avogadro_number = 6.02214179e23 #(30) mol^-1 -#: Planck's constant (eV s) -plancks_constant = 4.13566733e-15 #(10) eV s -#: Electron volt (J/eV) -electron_volt = 1.602176487e-19 #(40) J / eV -#: speed of light c (m/s) -speed_of_light = 299792458 # m/s (exact) -#: electron radius r_e (m) -electron_radius = 2.8179402894e-15 #(58) m +#: Avogadro's number (mol^-1) [CODATA 2022] +avogadro_number = 6.02214076e23 #(exact) 1/mol [CODATA 2022] +#: Planck constant (eV s) [CODATA 2022] +planck_constant = 6.62607015e-34 #(exact) J/Hz [CODATA 2022] +#: Electron volt (J/eV) [CODATA 2022] +electron_volt = 1.602176634e-19 #(exact) J / eV [CODATA 2022] +#planck_constant_eV = planck_constant / electron_volt +#: speed of light c (m/s) [CODATA 2022] +speed_of_light = 299792458 #(exact) m/s [CODATA 2022] +#: electron radius r_e (m) [CODATA 2022] +electron_radius = 2.8179403205e-15 #(13) m [CODATA 2022] # [CODATA] From NIST Reference on Constants, Units, and Uncertainty # http://physics.nist.gov/cuu/index.html # [AME2020] "The Ame2020 atomic mass evaluation (II)" # by M.Wang, W.J.Huang, F.G.Kondev, G.Audi and S.Naimi # Chinese Physics C45, 030003, March 2021. -#: neutron mass (u) -neutron_mass = 1.00866491590 #(47) u [AME 2020] -neutron_mass_unc = 0.00000000047 -#neutron_mass = 1.00866491597 #(43) u [CODATA 2010?] -#neutron_mass = 1.00866491595 #(49) u [CODATA 2018] -#: atomic mass constant (kg / u) -atomic_mass_constant = 1.660538782e-27 #(83) kg / u -#: electron mass (u) -electron_mass = 5.48577990946e-4 #(22) u +#: neutron mass (u) [CODATA 2022] +neutron_mass = 1.00866491606 #(40) u [CODATA 2022] +neutron_mass_unc = 0.00000000040 +#neutron_mass = 1.00866491590 #(47) u [AME 2020] +#neutron_mass = 1.00866491597 #(43) u [CODATA 2006] +#neutron_mass = 1.00866491595 #(49) u [CODATA 2018] +#: atomic mass constant (kg / u) [CODATA 2022] +atomic_mass_constant = 1.66053906892e-27 #(52) kg / u [CODATA 2022] +#: electron mass (u) [CODATA 2022] +electron_mass = 5.485799090441e-4 #(97) u [CODATA 2022] diff --git a/periodictable/nsf.py b/periodictable/nsf.py index dc2311d..de65288 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -157,7 +157,7 @@ import numpy as np from numpy import sqrt, pi, asarray, inf from .core import Element, Isotope, default_table -from .constants import (avogadro_number, plancks_constant, electron_volt, +from .constants import (avogadro_number, planck_constant, electron_volt, neutron_mass, atomic_mass_constant) from .util import require_keywords, parse_uncertainty @@ -173,24 +173,24 @@ #'scattering_potential', ] -ABSORPTION_WAVELENGTH = 1.798 +#: Wavelength [Å] for which neutron scattering cross sections are tabulated. +ABSORPTION_WAVELENGTH = 1.798 # [Å] -# Velocity (m/s) <=> wavelength (A) -# lambda = h / p = h (eV) (J/eV) / ( m_n (kg) v (m/s) ) (10^10 A/m) -# -# Since plancks constant is in eV -# lambda = (1e10 * h*electron_volt/(neutron_mass/N_A)) / velocity - -# Energy (eV) <=> wavelength (A) -# h^2/(2 m_n kg lambda A) (10^20 A/m) (1000 meV/eV) / (electron_volt J/eV) -# Since plancks constant is in eV -# (h J)^2/electron_volt = ((h eV)(electron_volt J/eV))^2/electron_volt -# = (h eV)^2 * electron_volt -ENERGY_FACTOR = (plancks_constant**2*electron_volt - / (2 * neutron_mass * atomic_mass_constant)) * 1e23 -VELOCITY_FACTOR = (plancks_constant*electron_volt - / (neutron_mass * atomic_mass_constant)) * 1e10 +#: Energy [eV] <=> wavelength [Å]: +#: E = 1/2 m v² = h² / (2 m λ²) +#: E[meV s] = h[J s]²/(2 m_n[u] m_u[kg/u] λ[Å]²/10^20[Å/m]) +#: * 1000[meV/eV] / electron_volt[J/eV] +ENERGY_FACTOR = ( + 1e23 * planck_constant**2/electron_volt + / (2 * neutron_mass * atomic_mass_constant)) + +#: Velocity[m/s] <=> wavelength[Å]: +#: h = p λ = m v λ +#: λ[Å] = h[J s] / ( m_n[kg] v[m/s] ) 10^10[Å/m] +VELOCITY_FACTOR = ( + 1e10 * planck_constant / (neutron_mass * atomic_mass_constant)) + def neutron_wavelength(energy): r""" Convert neutron energy to wavelength. @@ -210,7 +210,7 @@ def neutron_wavelength(energy): where - $h$ = planck's constant in |Js| + $h$ = Planck constant in |Js| $m_n$ = neutron mass in kg @@ -235,7 +235,7 @@ def neutron_wavelength_from_velocity(velocity): where - $h$ = planck's constant in |Js| + $h$ = Planck constant in |Js| $m_n$ = neutron mass in kg """ @@ -259,7 +259,7 @@ def neutron_energy(wavelength): where: - $h$ = planck's constant in |Js| + $h$ = Planck constant in |Js| $m_n$ = neutron mass in kg """ @@ -289,7 +289,7 @@ def _CHECK_scattering_potential(sld): $\hbar = h / (2 \pi)$ - $h$ = planck's constant in |Js| + $h$ = Planck constant in |Js| $N_b = \sum{ n_i b_i } / V$ diff --git a/periodictable/xsf.py b/periodictable/xsf.py index 18e25ba..8fc41f3 100644 --- a/periodictable/xsf.py +++ b/periodictable/xsf.py @@ -192,8 +192,9 @@ from numpy import nan, pi, exp, sin, cos, sqrt, radians from .core import Element, Ion, default_table, get_data_path -from .constants import (avogadro_number, plancks_constant, speed_of_light, - electron_radius) +from .constants import ( + avogadro_number, planck_constant, speed_of_light, electron_volt, + electron_radius) from .util import require_keywords def xray_wavelength(energy): @@ -214,11 +215,11 @@ def xray_wavelength(energy): where: - $h$ = planck's constant in eV\ |cdot|\ s + $h$ = Planck constant in J\ |cdot|\ s $c$ = speed of light in m/s """ - return plancks_constant*speed_of_light/numpy.asarray(energy)*1e7 + return planck_constant/electron_volt*speed_of_light/numpy.asarray(energy)*1e7 def xray_energy(wavelength): r""" @@ -238,11 +239,11 @@ def xray_energy(wavelength): where: - $h$ = planck's constant in eV\ |cdot|\ s + $h$ = Planck constant in J\ |cdot|\ s $c$ = speed of light in m/s """ - return plancks_constant*speed_of_light/numpy.asarray(wavelength)*1e7 + return planck_constant/electron_volt*speed_of_light/numpy.asarray(wavelength)*1e7 class Xray(object): """ diff --git a/test/test_density.py b/test/test_density.py index bdfe931..8cd2c18 100644 --- a/test/test_density.py +++ b/test/test_density.py @@ -7,8 +7,8 @@ def test(): assert elements.D.density == elements.H.density * elements.D.mass/elements.H.mass # check number density and unit cell width - assert abs(elements.Ca.interatomic_distance - 3.50166387163) < 1e-10 - assert abs(elements.Fe.number_density - 8.4910635606518029e+22) < 1e12 + assert abs(elements.Ca.interatomic_distance - 3.5016640712645786) < 1e-10 + assert abs(elements.Fe.number_density - 8.491062108378546e+22) < 1e12 assert elements.Ca.interatomic_distance_units == "angstrom" assert elements.Fe.number_density_units == "1/cm^3" diff --git a/test/test_nsf.py b/test/test_nsf.py index 16fbbe4..8f5b760 100644 --- a/test/test_nsf.py +++ b/test/test_nsf.py @@ -123,8 +123,8 @@ def test(): assert abs(depth-depth2)<1e-14 # Test energy <=> velocity <=> wavelength - # PAK: value changes with updated neutron and atomic mass constants [2023-08] - assert abs(nsf.neutron_wavelength_from_velocity(2200) - 1.7981972619684314) < 1e-14 + # PAK: value changes with updated neutron and atomic mass constants [2024-10] + assert abs(nsf.neutron_wavelength_from_velocity(2200) - 1.7981972755018132) < 1e-14 assert abs(nsf.neutron_wavelength(25) - 1.8) < 0.1 assert abs(nsf.neutron_energy(nsf.neutron_wavelength(25)) - 25) < 1e-14 From 3b5c431ba1dd41c8c0dbfb8ed3ffc524c7ea4687 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 8 Oct 2024 17:44:09 -0400 Subject: [PATCH 53/76] Reinstate neutron as element Z=0, but exclude it from the iterator --- periodictable/core.py | 9 ++++++--- periodictable/density.py | 2 +- periodictable/mass.py | 12 ++++++------ periodictable/nsf.py | 5 +---- test/test_nsf.py | 15 ++++++++++++++- 5 files changed, 28 insertions(+), 15 deletions(-) diff --git a/periodictable/core.py b/periodictable/core.py index 7c775a8..8294294 100644 --- a/periodictable/core.py +++ b/periodictable/core.py @@ -239,7 +239,10 @@ def __iter__(self): """ Process the elements in Z order """ - for _, el in sorted(self._element.items()): + # CRUFT: Since 3.7 dictionaries use insertion order, so no need to sort + elements = sorted(self._element.items()) + # Skipping the first entry (neutron) in the iterator + for _, el in elements[1:]: yield el def symbol(self, input): @@ -604,7 +607,7 @@ def _make_isotope_ion(table, Z, n, c): element_base = { # number: name symbol common_ions uncommon_ions # ion info comes from Wikipedia: list of oxidation states of the elements. - # 0: ['Neutron', 'n', [], []], + 0: ['neutron', 'n', [], []], 1: ['Hydrogen', 'H', [-1, 1], []], 2: ['Helium', 'He', [], [1, 2]], # +1,+2 http://periodic.lanl.gov/2.shtml 3: ['Lithium', 'Li', [1], []], @@ -764,7 +767,7 @@ def define_elements(table, namespace): for el in table: names[el.symbol] = el names[el.name] = el - for el in [table.D, table.T]: + for el in [table.D, table.T, table.n]: names[el.symbol] = el names[el.name] = el diff --git a/periodictable/density.py b/periodictable/density.py index 43f602e..ba4ba22 100644 --- a/periodictable/density.py +++ b/periodictable/density.py @@ -170,7 +170,7 @@ def init(table, reload=False): el.density_caveat = "" element_densities = dict( - # n=None, # No longer using element 0 for a bare neutron + n=None, # No longer using element 0 for a bare neutron H=(0.0708, "T=-252.87"), He=(0.122, "T=-268.93"), Li=0.534, diff --git a/periodictable/mass.py b/periodictable/mass.py index 760ecfb..50d52f4 100644 --- a/periodictable/mass.py +++ b/periodictable/mass.py @@ -120,12 +120,12 @@ def init(table, reload=False): iso._abundance, iso._abundance_unc = 0, 0 # # A single neutron is an isotope of element 0 - # from .constants import neutron_mass, neutron_mass_unc - # el = table[0] - # el._mass, el._mass_unc = neutron_mass, neutron_mass_unc - # iso = el.add_isotope(1) - # iso._mass, iso._mass_unc = neutron_mass, neutron_mass_unc - # iso._abundance, iso._abundance_unc = 100, 0 + from .constants import neutron_mass, neutron_mass_unc + el = table.n + el._mass, el._mass_unc = neutron_mass, neutron_mass_unc + iso = el.add_isotope(1) + iso._mass, iso._mass_unc = neutron_mass, neutron_mass_unc + iso._abundance, iso._abundance_unc = 100, 0 # Parse element mass table where each line looks like: # z El element mass(unc)|[low,high]|- note note ... diff --git a/periodictable/nsf.py b/periodictable/nsf.py index de65288..da0d24a 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -567,9 +567,6 @@ def init(table, reload=False): symbol = parts[1] isotope_number = int(parts[2]) if len(parts) == 3 else 0 - if Z == 0: # Skip row 0-n-1 - continue - # Fetch element from the table and check that the symbol matches element = table[Z] assert element.symbol == symbol, \ @@ -580,7 +577,7 @@ def init(table, reload=False): nsf._number_density = element.number_density # N/cm^3 = N/cm^3 if isotope_number == 0: - # Bulk values using laboratory abundances of isotopes + # Value for element using laboratory abundances of isotopes element.neutron = nsf else: # Values for the individual isotope diff --git a/test/test_nsf.py b/test/test_nsf.py index 8f5b760..dafa777 100644 --- a/test/test_nsf.py +++ b/test/test_nsf.py @@ -5,7 +5,7 @@ import periodictable from periodictable import elements, formula, nsf from periodictable.nsf import neutron_scattering, neutron_sld -from periodictable.constants import avogadro_number as N_A +from periodictable.constants import avogadro_number as N_A, neutron_mass def test(): H,He,D,O = elements.H,elements.He,elements.D,elements.O @@ -135,6 +135,19 @@ def test(): assert all(abs(v-w)<1e-14 for v,w in zip(xs,xs2)) assert abs(depth-depth2)<1e-14 +def test_bare_neutron(): + n = elements.n + assert n == elements[0] + assert n == periodictable.neutron + n_iso = elements[0][1] + assert n.mass == neutron_mass + assert n_iso.mass == neutron_mass + assert n.neutron.b_c == -37.0 + assert n.density is None + assert n.number_density is None + assert n.neutron.scattering()[0] is None + + def test_formula(): density = 2.52 M = formula('B4C', density=density) From 27feec01f6ac709a6ede6707d70e4026f7c08d47 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 9 Oct 2024 17:45:23 -0400 Subject: [PATCH 54/76] update activation abundance function; default table no longer uses NIST 2001 data --- ChangeLog.rst | 19 ++++++++++++------- periodictable/activation.py | 13 +++++-------- periodictable/nsf.py | 2 +- test/test_activation.py | 7 +++---- 4 files changed, 21 insertions(+), 20 deletions(-) diff --git a/ChangeLog.rst b/ChangeLog.rst index a9810d6..1f63937 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -28,14 +28,19 @@ Modified: * Li-6:Li-7 mass ratio changed from 12.2 to 19.6 (delta = 2.7%) * Isotope percentage changed by 0.1 to 0.5 for B, Zn, Ge, Se, Mo, Er, Yb, Pt, Hg * Atomic weight changed by 0.04% for Zn, 0.02% for S and 0.01% for Li, Ge, Se, Mo -* Neutron b_c changed for Zn-70 from 6.9 to 6.0 (fixes a typo in the original table) +* Neutron b_c changed for Zn-70 from 6.9 to 6.0 (fixes a typo in the table) * Fix typos in uncertainties in the neutron table (Zr-90, Te-124, Ba-138, Sm-147) -* Use correctactivation for Pb-208 which was entered as barns rather than mbarns -* Use Aug 2023 update to CXRO scattering factors (Pt, Cr, Nb, Y, Er) -* Update physical constants to CODATA 2022. Relative change up to 1e-7 in - Avogadro number, Planck constant, J/eV, electron radius, electron mass, - neutron mass and atomic mass constant. `planck_constant` is now in J/Hz rather - than eV s. +* Use correct activation for Pb-208 which was entered as barns rather than mbarns +* Use Aug 2023 update to X-ray scattering factors (Pt, Cr, Nb, Y, Er) +* Update physical constants to CODATA 2022. Values have changed by as much + as 1e-7 (relative) in Avogadro number, Planck constant, J/eV, electron radius, + electron mass, neutron mass and atomic mass constant. + +Breaking changes: + +* Remove Z=0 (bare neutron) from the PeriodicTable iterator. +* Replace `constants.plancks_constant` (eV s) with + `constants.planck_constant` (J/Hz). 2024-07-08 R1.7.1 ----------------- diff --git a/periodictable/activation.py b/periodictable/activation.py index 2974842..a5a48b4 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -83,13 +83,9 @@ LN2 = log(2) -def NIST2001_isotopic_abundance(iso): +def table_abundance(iso): """ Isotopic abundance in % from the periodic table package. - - Böhlke, et al. - Isotopic Compositions of the Elements, 2001. - J. Phys. Chem. Ref. Data, Vol. 34, No. 1, 2005 """ return iso.abundance @@ -139,7 +135,7 @@ def __init__(self, formula, mass, name=None): def calculate_activation(self, environment, exposure=1, rest_times=(0, 1, 24, 360), - abundance=NIST2001_isotopic_abundance): + abundance=table_abundance): """ Calculate sample activation after exposure to a neutron flux. @@ -150,8 +146,9 @@ def calculate_activation(self, environment, exposure=1, *rest_times* is the list of deactivation times in hours (default is [0, 1, 24, 360]). *abundance* is a function that returns the relative abundance of an isotope. By - default it uses :func:`NIST2001_isotopic_abundance`, and there is the alternative - :func:`IAEA1987_isotopic_abundance`. + default it uses :func:`table_abundance` with natural abundance defined + in :mod:`periodictable.mass`, but there is the alternative + :func:`IAEA1987_isotopic_abundance` in the activation data table. """ self.activity = {} self.environment = environment diff --git a/periodictable/nsf.py b/periodictable/nsf.py index da0d24a..d0f1f0f 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -444,8 +444,8 @@ def scattering_by_wavelength(self, wavelength): *sigma_s* \: float(s) | barn """ # TODO: do vector conversion at the end rather than the beginning. - ones = 1 if np.isscalar(wavelength) else np.ones_like(wavelength) if self.nsf_table is None: + ones = 1 if np.isscalar(wavelength) else np.ones_like(wavelength) return ones*self.b_c_complex, ones*self.total b_c = np.interp(wavelength, self.nsf_table[0], self.nsf_table[1]) # TODO: sigma_s should include an incoherent contribution diff --git a/test/test_activation.py b/test/test_activation.py index 69009c3..bf0816a 100644 --- a/test/test_activation.py +++ b/test/test_activation.py @@ -2,8 +2,7 @@ import periodictable as pt from periodictable.activation import Sample, ActivationEnvironment -from periodictable.activation import IAEA1987_isotopic_abundance -from periodictable.activation import NIST2001_isotopic_abundance +from periodictable.activation import IAEA1987_isotopic_abundance, table_abundance def test(): # This is not a very complete test of the activation calculator. @@ -40,7 +39,7 @@ def _get_Au_activity(fluence=1e5): sample.calculate_activation( env, exposure=exposure, rest_times=(0, 1, 24, 360), abundance=IAEA1987_isotopic_abundance, - #abundance=NIST2001_isotopic_abundance, + #abundance=table_abundance, ) # TODO: Why aren't we matching the spreadsheet results? @@ -62,7 +61,7 @@ def _get_Au_activity(fluence=1e5): sample.calculate_activation( env, rest_times=[0, 1, 24], abundance=IAEA1987_isotopic_abundance, - #abundance=NIST2001_isotopic_abundance, + #abundance=table_abundance, ) print(sample.activity) for product, activity in sample.activity.items(): From dc798105b60571bf1693c5ae3982c4b33f5cdb59 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 22 Oct 2024 14:25:18 -0400 Subject: [PATCH 55/76] Update with scattering lengths measurements since 2000 --- ChangeLog.rst | 3 + doc/sphinx/guide/contributing.rst | 4 +- periodictable/nsf.py | 114 +++++++++++++++++++----------- test/test_nsf.py | 7 +- 4 files changed, 78 insertions(+), 50 deletions(-) diff --git a/ChangeLog.rst b/ChangeLog.rst index 1f63937..1473e3d 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -35,6 +35,9 @@ Modified: * Update physical constants to CODATA 2022. Values have changed by as much as 1e-7 (relative) in Avogadro number, Planck constant, J/eV, electron radius, electron mass, neutron mass and atomic mass constant. +* Updated bound coherent scattering length for H-1, H-2, He-4, C-12, + O-16, O-17, O-18, Sn-119, Sm-154, Eu-153, Pb-207, Bi-209 +* Updated total cross section for He, Kr, Xe Breaking changes: diff --git a/doc/sphinx/guide/contributing.rst b/doc/sphinx/guide/contributing.rst index 0fe466f..f52782e 100644 --- a/doc/sphinx/guide/contributing.rst +++ b/doc/sphinx/guide/contributing.rst @@ -39,10 +39,10 @@ When all the tests run, create a pull request (PR) on the github page. Windows user can use `TortoiseGit `_ package which provides similar operations. -You can build the documentation as follows:: +You can build the documentation as follows (linux, mac):: pip install sphinx - (cd doc/sphinx && make clean html pdf) + (cd doc/sphinx && PYTHONPATH=../.. make clean html pdf) You can see the result by pointing your browser to:: diff --git a/periodictable/nsf.py b/periodictable/nsf.py index d0f1f0f..b712dec 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -85,20 +85,47 @@ been fixed. In particular, Zn-70 has b_c listed as 6.9 in the table, but 6.0 in the source materials for the table. -Alternative tables from Sears\ [#Sears1992]\ [#Sears2006] and Dawidowski, -et al.\ [#Dawidowski2013] make different choices for the recommended values. -These are noted in periodictable issue #59 +Note that enteries in the table have been measured independently, so the values +for the scattering length of an element or isotope may be inconsistent with +the values measured for the corresponding cross section. The comparison table +functions highlight these differences. + +Tables from Sears\ [#Sears1992]\ [#Sears2006], Rauch\ [#Rauch2003] and +Dawidowski\ [#Dawidowski2013] make different choices for the recommended +values. These are noted in periodictable issue #59 ``_ with changes from Sears to Rauch `(a) `__ and from Rauch to Dawidowski `(b) `__. -.. Note: - - Enteries in the table have been measured independently, so the values - measured for the scattering length of an element or isotope may be - inconsistent with the values measured for the corresponding cross section. +The following newer measurements from the literature are included: + + 1H b_c -3.7423(12) => -3.7395(11) [1] + 2H b_c 6.674(6) => 6.6681(27) [1] + 4He b_c 3.26(3) => 3.0982(21) [3] (see also [5], which gives 3.075(6)) + 4He coherent = total cross sections computed from 4 pi b_c^2/100 + nat-He computed from isotopic weighting of 3He and 4He + 12C b_c 6.6535(14) => 6.6472(9) [1] + 16O b_c 5.805(5) => 5.8037(29) [1] + 17O b_c 5.6(5) => 5.867(4) [2] + 18O b_c 5.84(7) => 6.009(5) [2] + 119Sn b_c 6.28(3) => 6.2239(13) [1] + 154Sm b_c 8.0(1.0) => 8.97(6) [4] + 153Eu b_c 8.22(12) => 8.85(3) [4] + 207Pb b_c 9.286(16) => 9.4024(13) [1] + 209Bi b_c 8.532(2) => 8.5242(18) [1] + + He total 1.34(2) => 1.188(5) [5] (ignored; using 4 pi b_c^2/100) + Ar total 0.683(4) => 0.683(5) [5] (ignored; existing value is more precise) + Kr total 7.68(13) => 7.685(26) [5] + Xe total --- => 4.344(17) [5] + + [1] Snow (2020) 10.1103/PhysRevD.101.062004 + [2] Fischer (2012) 10.1088/0953-8984/24/50/505105 + [3] Haun (2020) 10.1103/PhysRevLett.124.012501 + [4] Kohlmann (2016) 10.1515/zkri-2016-1984 + [5] Haddock (2019) 10.1103/PhysRevC.100.064002 .. [#Rauch2003] Rauch, H. and Waschkowski, W. (2003) Neutron Scattering Lengths in ILL @@ -447,6 +474,8 @@ def scattering_by_wavelength(self, wavelength): if self.nsf_table is None: ones = 1 if np.isscalar(wavelength) else np.ones_like(wavelength) return ones*self.b_c_complex, ones*self.total + #energy = neutron_energy(wavelength) + #b_c = np.interp(energy, self.nsf_table[0], self.nsf_table[1]) b_c = np.interp(wavelength, self.nsf_table[0], self.nsf_table[1]) # TODO: sigma_s should include an incoherent contribution sigma_s = _4PI_100*abs(b_c)**2 # 1 barn = 1 fm^2 1e-2 barn/fm^2 @@ -517,6 +546,7 @@ def energy_dependent_init(table): el = getattr(table, el_name) atom = el if iso_num is None else el[iso_num] xs = asarray(re_a) + 1j*asarray(im_a) + #atom.neutron.nsf_table = asarray(energy)*1000, xs atom.neutron.nsf_table = wavelength[::-1], xs[::-1] #print(f"adding {atom}") @@ -593,17 +623,6 @@ def init(table, reload=False): if element.neutron is missing: element.neutron = nsf - # Gaps in the table for Xe and Eu[151]. Fill them in with guesses from - # other columns even though they have not been measured directly. The - # assertions are here so that we remember to remove this code if the - # table eventually gets updated. - assert table.Xe.neutron.total is None - assert table.Eu[151].neutron.b_c is None - table.Xe.neutron.total = ( - table.Xe.neutron.coherent + table.Xe.neutron.incoherent) - table.Eu[151].neutron.b_c = ( - sqrt(table.Eu[151].neutron.coherent/_4PI_100)) - for line in nsftableI.split('\n'): columns = line.split(',') @@ -898,7 +917,7 @@ def neutron_scattering(compound, density=None, num_atoms += quantity # PAK 2021-04-05: allow energy dependent b_c, b'' b_ck, sigma_sk = element.neutron.scattering_by_wavelength(wavelength) - #print(f"{element=}; {re_a=}; {im_a=}; {total_xs=}") + #print(f"{element=}; {b_ck=}; {sigma_sk=}") b_c += quantity * b_ck sigma_s += quantity * sigma_sk is_energy_dependent |= element.neutron.is_energy_dependent @@ -1269,17 +1288,24 @@ def sld_plot(table=None): # Numbers followed by '*' are estimated. # Numbers may be given as limit, e.g., <1.0e-6 # -# Formatting corrections by Paul Kienzle +# [Paul Kienzle] +# * Fix typos such as 70Zn b_c 6.9(1.0) => 6.0(1.0). +# * Update bound coherent scattering length for H-1, H-2, He-4, C-12, +# O-16, O-17, O-18, Sn-119, Sm-154, Eu-153, Pb-207, Bi-209 +# * Update total cross section for He, Kr, Xe +# * Usd 63-Eu-151 b_c from 84Mug1. This change is moot since this isotope +# has energy dependent isotope coeffs. +# * Use calculated values for 4He coh and total, and natHe b_c, coh and total. nsftable = """\ 0-n-1,618 S,1/2,-37.0(6),0,-37.0(6),,43.01(2),,43.01(2),0 1-H,,,-3.7409(11),,,,1.7568(10),80.26(6),82.02(6),0.3326(7) -1-H-1,99.985,1/2,-3.7423(12),10.817(5),-47.420(14),+/-,1.7583(10),80.27(6),82.03(6),0.3326(7) -1-H-2,0.0149,1,6.674(6),9.53(3),0.975(60),,5.592(7),2.05(3),7.64(3),0.000519(7) +1-H-1,99.985,1/2,-3.7395(11),10.817(5),-47.420(14),+/-,1.7583(10),80.27(6),82.03(6),0.3326(7) +1-H-2,0.0149,1,6.6681(27),9.53(3),0.975(60),,5.592(7),2.05(3),7.64(3),0.000519(7) 1-H-3,12.26 Y,1/2,4.792(27),4.18(15),6.56(37),,2.89(3),0.14(4),3.03(5),<6.0E-6 -2-He,,,3.26(3),,,,1.34(2),0,1.34(2),0.00747(1) +2-He,,,3.0985(21),,,,1.2065(16),0,1.2065(16),0.00747(1) 2-He-3,0.013,1/2,5.74(7),4.7(5),8.8(1.4),E,4.42(10),1.6(4),6.0(4),5333.0(7.0) -2-He-4,99.987,0,3.26(3),,,,1.34(2),0,1.34(2),0 +2-He-4,99.987,0,3.0982(21),,,,1.2062(16),0,1.2062(16),0 3-Li,,,-1.90(3),,,,0.454(10),0.92(3),1.37(3),70.5(3) 3-Li-6,7.5,1,2.0(1),0.67(14),4.67(17),+/-,0.51(5),0.46(5),0.97(7),940.0(4.0) 3-Li-7,92.5,3/2,-2.22(2),-4.15(6),1.00(8),+/-,0.619(11),0.78(3),1.40(3),0.0454(3) @@ -1288,15 +1314,15 @@ def sld_plot(table=None): 5-B-10,19.4,3,-0.2(4),-4.2(4),5.2(4),,0.144(6),3.0(4),3.1(4),3835.0(9.0) 5-B-11,80.2,3/2,6.65(4),5.6(3),8.3(3),,5.56(7),0.21(7),5.77(10),0.0055(33) 6-C,,,6.6484(13),,,,5.551(2),0.001(4),5.551(3),0.00350(7) -6-C-12,98.89,0,6.6535(14),,,,5.559(3),0,5.559(3),0.00353(7) +6-C-12,98.89,0,6.6472(9),,,,5.559(3),0,5.559(3),0.00353(7) 6-C-13,1.11,1/2,6.19(9),5.6(5),6.2(5),+/-,4.81(14),0.034(11),4.84(14),0.00137(4) 7-N,,,9.36(2),,,,11.01(5),0.50(12),11.51(11),1.90(3) 7-N-14,99.635,1,9.37(2),10.7(2),6.2(3),,11.03(5),0.50(12),11.53(11),1.91(3) 7-N-15,0.365,1/2,6.44(3),6.77(10),6.21(10),,5.21(5),0.00005(10),5.21(5),0.000024(8) 8-O,,,5.805(4),,,,4.232(6),0.000(8),4.232(6),0.00019(2) -8-O-16,99.75,0,5.805(5),,,,4.232(6),0,4.232(6),0.00010(2) -8-O-17,0.039,5/2,5.6(5),5.52(20),5.17(20),,4.20(22),0.004(3),4.20(22),0.236(10) -8-O-18,0.208,0,5.84(7),,,,4.29(10),0,4.29(10),0.00016(1) +8-O-16,99.75,0,5.8037(29),,,,4.232(6),0,4.232(6),0.00010(2) +8-O-17,0.039,5/2,5.867(4),5.52(20),5.17(20),,4.20(22),0.004(3),4.20(22),0.236(10) +8-O-18,0.208,0,6.009(5),,,,4.29(10),0,4.29(10),0.00016(1) 9-F-19,100,1/2,5.654(12),5.632(10),5.767(10),+/-,4.017(14),0.0008(2),4.018(14),0.0096(5) 10-Ne,,,4.566(6),,,,2.620(7),0.008(9),2.628(6),0.039(4) 10-Ne-20,90.5,0,4.631(6),,,,2.695(7),0,2.695(7),0.036(4) @@ -1393,7 +1419,7 @@ def sld_plot(table=None): 35-Br,,,6.79(2),,,,5.80(3),0.10(9),5.90(9),6.9(2) 35-Br-79,50.49,3/2,6.79(7),,,+/-,5.81(2),0.15(6),5.96(13),11.0(7) 35-Br-81,49.31,3/2,6.78(7),,,+/-,5.79(12),0.05(2),5.84(12),2.7(2) -36-Kr,,,7.81(2),,,,7.67(4),0.01(14),7.68(13),25.0(1.0) +36-Kr,,,7.81(2),,,,7.67(4),0.01(14),7.685(26),25.0(1.0) 36-Kr-78,0.35,0,,,,,,0,,6.4(9) 36-Kr-80,2.5,0,,,,,,0,,11.8(5) 36-Kr-82,11.6,0,,,,,,0,,29.0(20.0) @@ -1463,7 +1489,7 @@ def sld_plot(table=None): 50-Sn-116,14.3,0,6.10(1),,,,4.42(7),0,4.42(7),0.14(3) 50-Sn-117,7.61,1/2,6.59(8),0.22(10),-0.23(10),,5.28(8),0.3(3)*,5.6(3),2.3(5) 50-Sn-118,24.03,0,6.23(4),,,,4.63(8),0,4.63(8),0.22(5) -50-Sn-119,8.58,1/2,6.28(3),0.14(10),0.0(1),,4.71(8),0.3(3)*,5.0(3),2.2(5) +50-Sn-119,8.58,1/2,6.2239(13),0.14(10),0.0(1),,4.71(8),0.3(3)*,5.0(3),2.2(5) 50-Sn-120,32.86,0,6.67(4),,,,5.29(8),0,5.29(8),0.14(3) 50-Sn-122,4.72,0,5.93(3),,,,4.14(7),0,4.14(7),0.18(2) 50-Sn-124,5.94,0,6.15(3),,,,4.48(8),0,4.48(8),0.133(5) @@ -1480,7 +1506,7 @@ def sld_plot(table=None): 52-Te-128,31.79,0,5.88(8),,,,4.36(10),0,4.36(10),0.215(8) 52-Te-130,34.48,0,6.01(7),,,,4.55(11),0,4.55(11),0.29(6) 53-I-127,100,5/2,5.28(2),6.6(2),3.4(2),,3.50(3),0.31(6),3.81(7),6.15(6) -54-Xe,,,4.69(4),,,,3.04(4),0,,23.9(1.2) +54-Xe,,,4.69(4),,,,3.04(4),0,4.344(17),23.9(1.2) 54-Xe-124,0.1,0,,,,,,0,,165.0(20.0) 54-Xe-126,0.09,0,,,,,,0,,3.5(8) 54-Xe-128,1.9,0,,,,,,0,,<8.0 @@ -1524,10 +1550,10 @@ def sld_plot(table=None): 62-Sm-149,13.8,7/2,18.7(28),,,E,63.5(6),137.0(5.0),200.0(5.0),42080.0(400.0) 62-Sm-150,7.4,0,14.0(3.0),,,,25.0(11.0),0,25.0(11.0),104.0(4.0) 62-Sm-152,26.7,0,-5.0(6),,,,3.1(8),0,3.1(8),206.0(6.0) -62-Sm-154,22.8,0,8.0(1.0),,,,11.0(2.0),0,11.0(2.0),8.4(5) +62-Sm-154,22.8,0,8.97(6),,,,11.0(2.0),0,11.0(2.0),8.4(5) 63-Eu,,,5.3(3),,,E,6.57(4),2.5(4),9.2(4),4530.0(40.0) -63-Eu-151,47.8,5/2,,,,E,5.5(2),3.1(4),8.6(4),9100.0(100.0) -63-Eu-153,52.8,5/2,8.22(12),,,,8.5(2),1.3(7),9.8(7),312.0(7.0) +63-Eu-151,47.8,5/2,6.92(15),,,E,5.5(2),3.1(4),8.6(4),9100.0(100.0) +63-Eu-153,52.8,5/2,8.85(3),,,,8.5(2),1.3(7),9.8(7),312.0(7.0) 64-Gd,,,9.5(2),,,E,29.3(8),151.0(2.0),180.0(2.0),49700.0(125.0) 64-Gd-152,0.2,0,10.0(3.0)*,,,,13.0(8.0),0,13.0(8.0),735.0(20.0) 64-Gd-154,2.2,0,10.0(3.0)*,,,,13.0(8.0),0,13.0(8.0),85.0(12.0) @@ -1617,9 +1643,9 @@ def sld_plot(table=None): 82-Pb,,,9.401(2),,,,11.115(7),0.0030(7),11.118(7),0.171(2) 82-Pb-204,1.4,0,10.893(78),,,,12.3(2),0,12.3(2),0.65(7) 82-Pb-206,24.1,0,9.221(78),,,,10.68(12),0,10.68(12),0.0300(8) -82-Pb-207,22.1,1/2,9.286(16),,,+/-,10.82(9),0.002(2),10.82(9),0.699(10) +82-Pb-207,22.1,1/2,9.4024(13),,,+/-,10.82(9),0.002(2),10.82(9),0.699(10) 82-Pb-208,52.4,0,9.494(30),,,,11.34(5),0,11.34(5),0.00048(3) -83-Bi-209,100,9/2,8.532(2),8.26(1),8.74(1),,9.148(4),0.0084(19),9.156(4),0.0338(7) +83-Bi-209,100,9/2,8.5242(18),8.26(1),8.74(1),,9.148(4),0.0084(19),9.156(4),0.0338(7) 88-Ra-226,1620 Y,0,10.0(1.0),,,,13.0(3.0),0,13.0(3.0),12.8(1.5) 90-Th-232,100,0,10.31(3),,,,13.36(8),0,13.36(8),7.37(6) 91-Pa-231,32500 Y,3/2,9.1(3),,,,10.4(7),0.1(3.3),10.5(3.2),200.6(2.3) @@ -1692,12 +1718,12 @@ def sld_table(wavelength=1, table=None, isotopes=True): Neutron scattering length density table atom mass density sld imag incoh H 1.008 0.071 -1.582 0.000 10.690 - 1-H 1.008 0.071 -1.583 0.000 10.690 - D 2.014 0.141 2.823 0.000 1.705 + 1-H 1.008 0.071 -1.582 0.000 10.691 + D 2.014 0.141 2.820 0.000 1.709 T 3.016 0.212 2.027 0.000 0.453 - He 4.003 0.122 0.598 0.000 0.035 + He 4.003 0.122 0.569 0.000 0.003 3-He 3.016 0.092 1.054 0.272 0.652 * - 4-He 4.003 0.122 0.598 0.000 0.035 + 4-He 4.003 0.122 0.569 0.000 0.000 ... 248-Cm 248.072 13.569 2.536 0.000 0.207 * Energy dependent cross sections @@ -1900,6 +1926,7 @@ def total_comparison_table(table=None, tol=None): >>> total_comparison_table (tol=0.1) Comparison of total cross section to (coherent + incoherent) 84-Kr 6.60 ---- + Xe 4.34 3.04 42.9% 149-Sm 200.00 200.50 -0.2% Eu 9.20 9.07 1.4% Gd 180.00 180.30 -0.2% @@ -1988,5 +2015,6 @@ def main(): if __name__ == "__main__": main() - #coherent_comparison_table(tol=0.5) - #incoherent_comparison_table(tol=0.5) + #sld_table() + #coherent_comparison_table(tol=0.1) + #incoherent_comparison_table(tol=0.1) diff --git a/test/test_nsf.py b/test/test_nsf.py index dafa777..9e12bcf 100644 --- a/test/test_nsf.py +++ b/test/test_nsf.py @@ -41,17 +41,14 @@ def test(): ## Printing suppressed for the release version #print("%2s %.3f % 7.3f % 7.3f"%(el.symbol,err,b_c,el.neutron.b_c)) - # Check neutron_sld and neutron_xs against NIST calculator - # Note that we are using different tables, so a general comparison with - # NIST numbers is not possible, but ^30Si and ^18O are the same in both. + # Isotopic formula. M = formula('Si[30]O[18]2',density=2.2) sld,xs,depth = neutron_scattering(M,wavelength=4.75) sld2 = neutron_sld(M,wavelength=4.75) assert all(abs(v-w)<1e-10 for v,w in zip(sld,sld2)) #_summarize(M) #_summarize(formula('O2',density=1.14)) - # Alan's numbers: - assert abs(sld[0] - 3.27) < 0.01 + assert abs(sld[0] - 3.33) < 0.01 assert abs(sld[1] - 0) < 0.01 #assert abs(xs[2] - 0.00292) < 0.00001 # TODO fix test assert abs(xs[1] - 0.00569) < 0.00001 From 19088dec19b9ff56b081a6bbc54934f81e92fce7 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 22 Oct 2024 16:58:07 -0400 Subject: [PATCH 56/76] Tweak formate of periodictable.nsf output --- periodictable/nsf.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/periodictable/nsf.py b/periodictable/nsf.py index b712dec..05b36bb 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -977,6 +977,8 @@ def _calculate_scattering(number_density, wavelength, b_c, sigma_s): # Note: Sears (1992) uses b = b' - i b'', so use |Im(b_c)| for sigma_a. sigma_a = 2000 * abs(b_c.imag) * wavelength # 1 barn = 1 fm 1 A 1e5 A/fm 1e-2 barn/fm + # print(f"σ_a {sigma_c:.3f} σ_i {sigma_i:.3f} σ_s {sigma_s:.3f} σ_a {sigma_a:.3f}") + # Compute macroscopic scattering cross section per unit volume (1/cm) total_xs = number_density * sigma_s # 1/cm = 1/A^3 1 barn 1e-8 A^2/barn 1e8 A/cm coh_xs = number_density * sigma_c @@ -1983,8 +1985,8 @@ def print_scattering(compound, wavelength=ABSORPTION_WAVELENGTH): print("%s at %g Ang (density=%g g/cm^3)" % (str(compound), wavelength, density)) print(" sld: %g + %g j (%g incoherent) 1e-6/Ang^2"%sld) - print(" sigma_c: %g sigma_a: %g sigma_i: %g 1/cm"%xs) - print(" mu: %g 1/cm 1/e penetration: %g cm"%(1/penetration, penetration)) + print(" Σ_c: %g Σ_a: %g Σ_i: %g 1/cm"%xs) + print(" μ: %g 1/cm 1/e penetration: %g cm"%(1/penetration, penetration)) def main(): """ From 5f450861eb32637d5a45155363db9e0ff84518a3 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 22 Oct 2024 17:09:52 -0400 Subject: [PATCH 57/76] doc formatting fixes --- periodictable/mass.py | 6 +++--- periodictable/nsf.py | 2 +- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/periodictable/mass.py b/periodictable/mass.py index 50d52f4..5211c28 100644 --- a/periodictable/mass.py +++ b/periodictable/mass.py @@ -26,7 +26,7 @@ and isotope abundance rather than a single value with an uncertainty. For periodictable, fractionation ranges for masses were replaced with abridged -standard atomic weights as given in Prohaska [#Prohaska]. For the abundance +standard atomic weights as given in Prohaska [#Prohaska]_. For the abundance ratios the center value of the range was chosen. A few elements had to be adjusted slightly so that they would sum to 100%. @@ -35,7 +35,7 @@ in Meija (2016). The values for Pb in the CIAAW table are too broad to be usable. For example, -206-Pb varies from 0.02 to 0.87 in monazite samples (Zhu 2020) [#Zhu]. Rather +206-Pb varies from 0.02 to 0.87 in monazite samples (Zhu 2020) [#Zhu]_. Rather than return NaN for composition we replace the ranges with representative atomic abundance values in Meija (2016). See the CIAAW page on `lead `_ for details. @@ -56,7 +56,7 @@ Standard atomic weights of the elements 2021. Pure Appl. Chem. 94. DOI:10.1515/pac-2019-0603 From https://www.ciaaw.org/atomic-weights.htm (2023-07-06) -.. [*Zhu] Zhu, X., Benefield, J., Coplen, T., Gao, Z. & Holden, N. (2021). +.. [#Zhu] Zhu, X., Benefield, J., Coplen, T., Gao, Z. & Holden, N. (2021). Variation of lead isotopic composition and atomic weight in terrestrial materials (IUPAC Technical Report). Pure and Applied Chemistry, 93(1), 155-166. https://doi.org/10.1515/pac-2018-0916 diff --git a/periodictable/nsf.py b/periodictable/nsf.py index 05b36bb..8cb3501 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -90,7 +90,7 @@ the values measured for the corresponding cross section. The comparison table functions highlight these differences. -Tables from Sears\ [#Sears1992]\ [#Sears2006], Rauch\ [#Rauch2003] and +Tables from Sears\ [#Sears1992]_\ [#Sears2006]_, Rauch\ [#Rauch2003]_ and Dawidowski\ [#Dawidowski2013] make different choices for the recommended values. These are noted in periodictable issue #59 ``_ From 3bee41299319390c6668b7ea7949e280320ecad4 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 22 Oct 2024 17:36:29 -0400 Subject: [PATCH 58/76] doc formatting fixes --- doc/sphinx/Makefile | 2 +- periodictable/mass.py | 14 +++++++------- periodictable/nsf.py | 24 +++++++++++++----------- periodictable/xsf.py | 3 +-- 4 files changed, 22 insertions(+), 21 deletions(-) diff --git a/doc/sphinx/Makefile b/doc/sphinx/Makefile index d11f377..e4284bc 100644 --- a/doc/sphinx/Makefile +++ b/doc/sphinx/Makefile @@ -34,7 +34,7 @@ help: @echo " doctest to run all doctests embedded in the documentation (if enabled)" clean: - -rm -rf _build/* build/* plots/*.pyc plots/*.png api + -rm -rf _build build plots/*.pyc plots/*.png api __pycache__ api: genmods.py -$(RMDIR) api diff --git a/periodictable/mass.py b/periodictable/mass.py index 5211c28..d7bad12 100644 --- a/periodictable/mass.py +++ b/periodictable/mass.py @@ -32,7 +32,7 @@ The values for Ar and N were set to the values present in the atmosphere and U was set to the values in a Namibian ore per the recommendations -in Meija (2016). +in Meija [#Meija]_. The values for Pb in the CIAAW table are too broad to be usable. For example, 206-Pb varies from 0.02 to 0.87 in monazite samples (Zhu 2020) [#Zhu]_. Rather @@ -43,19 +43,19 @@ Note: uncertainties are stored in `iso._mass_unc` and `iso._abundance_unc`, but they are not yet part of the public interface. -.. [#CIAAW] CIAAW. Isotopic compositions of the elements 2021. - Available online at www.ciaaw.org. .. [#Wang] Meng Wang et al. (2021) Chinese Phys. C 45 030003 DOI:10.1088/1674-1137/abddaf From https://www-nds.iaea.org/amdc/ame2020/massround.mas20.txt (2023-07-06) -.. [#Meija] J. Meija et al. (2016) - Isotopic compositions of the elements 2013 - Pure and Applied Chemistry 88, 293-306. - From https://www.ciaaw.org/isotopic-abundances.htm (2023-07-06) +.. [#CIAAW] CIAAW. Isotopic compositions of the elements 2021. + Available online at https://www.ciaaw.org. .. [#Prohaska] T. Prohaska, et al. (2022) Standard atomic weights of the elements 2021. Pure Appl. Chem. 94. DOI:10.1515/pac-2019-0603 From https://www.ciaaw.org/atomic-weights.htm (2023-07-06) +.. [#Meija] J. Meija et al. (2016) + Isotopic compositions of the elements 2013 + Pure and Applied Chemistry 88, 293-306. + From https://www.ciaaw.org/isotopic-abundances.htm (2023-07-06) .. [#Zhu] Zhu, X., Benefield, J., Coplen, T., Gao, Z. & Holden, N. (2021). Variation of lead isotopic composition and atomic weight in terrestrial materials (IUPAC Technical Report). Pure and Applied Chemistry, 93(1), 155-166. diff --git a/periodictable/nsf.py b/periodictable/nsf.py index 8cb3501..4413980 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -75,7 +75,7 @@ For private tables use :func:`init` to set the data. The neutron scattering information table is reproduced from the Atomic -Institute for Austrian Universities\ [#Rauch2003]_ (retrieved March 2008): +Institute for Austrian Universities\ [#Rauch2003]_,\ [#Rauch2000]_: ``_ @@ -91,7 +91,7 @@ functions highlight these differences. Tables from Sears\ [#Sears1992]_\ [#Sears2006]_, Rauch\ [#Rauch2003]_ and -Dawidowski\ [#Dawidowski2013] make different choices for the recommended +Dawidowski\ [#Dawidowski2013]_ make different choices for the recommended values. These are noted in periodictable issue #59 ``_ with changes from Sears to Rauch @@ -131,16 +131,14 @@ Neutron Scattering Lengths in ILL Neutron Data Booklet (second edition), A.-J. Dianoux, G. Lander, Eds. Old City Publishing, Philidelphia, PA. pp 1.1-1 to 1.1-17. - (https://www.ill.eu/fileadmin/user_upload/ILL/1_About_ILL/Documentation/NeutronDataBooklet.pdf) + (https://www.ill.eu/fileadmin/user_upload/ILL/1_About_ILL/Documentation/NeutronDataBooklet.pdf + Retrieved March 2008) .. [#Rauch2000] Rauch, H. and Waschkowski, W. (2000) Neutron scattering lengths. Schopper, H. (ed.). SpringerMaterials - The Landolt-Börnstein Database (http://www.springermaterials.com). doi:10.1007/10499706_6 -.. [#Koester1991] Koester, L., Rauch, H., Seymann. E. (1991) - Atomic Data Nuclear Data Tables 49, 65. doi:10.1016/0092-640X(91)90012-S - .. [#Lynn1990] Lynn, J.E. and Seeger, P.A. (1990) Resonance effects in neutron scattering lengths of rare-earth nuclides. Atomic Data and Nuclear Data Tables 44, 191-207. @@ -165,11 +163,6 @@ Neutron Transmission of Single-Crystal Sapphire. J Appl Crystallogr 31, 835–840. doi:10.1107/S0021889898005846 -.. [#Smith2006] Smith, G.S. and Majkrzak, C.M. (2006) - 2.9 Neutron reflectometry. - In E. Prince ed. Intl. Tables for Crystallography C. - Wiley InterScience. pp 126-146. doi:10.1107/97809553602060000584 - .. [#Glinka2011] Glinka, C.J. (2011) Incoherent Neutron Scattering from Multi-element Materials. J. Appl. Cryst. 44, 618-624. doi:10.1107/S0021889811008223 @@ -181,6 +174,15 @@ Experimental Methods in the Physical Sciences (Vol. 44, pp. 471–528). Academic Press. doi:10.1016/B978-0-12-398374-9.09989-7 """ + +#.. [#Koester1991] Koester, L., Rauch, H., Seymann. E. (1991) +# Atomic Data Nuclear Data Tables 49, 65. doi:10.1016/0092-640X(91)90012-S +#.. [#Smith2006] Smith, G.S. and Majkrzak, C.M. (2006) +# 2.9 Neutron reflectometry. +# In E. Prince ed. Intl. Tables for Crystallography C. +# Wiley InterScience. pp 126-146. doi:10.1107/97809553602060000584 +# + import numpy as np from numpy import sqrt, pi, asarray, inf from .core import Element, Isotope, default_table diff --git a/periodictable/xsf.py b/periodictable/xsf.py index 8fc41f3..7a77d63 100644 --- a/periodictable/xsf.py +++ b/periodictable/xsf.py @@ -74,7 +74,7 @@ ==================== Data for the $K_\alpha$ and $K_\beta$ lines comes from -[#Deslattes2003], with the full tables available at +[#Deslattes2003]_, with the full tables available at ``_. Experimental Values are used, truncated to 4 digits of precision to correspond to the values for the subset @@ -177,7 +177,6 @@ .. [#Deslattes2003] R. D. Deslattes, E. G. Kessler, Jr., P. Indelicato, L. de Billy, E. Lindroth, and J. Anton. Rev. Mod. Phys. 75, 35-99 (2003). - """ from __future__ import with_statement __all__ = ['Xray', 'init', 'init_spectral_lines', From 520cac8615e0f9358b1bd36d607d2daea7ea1fb7 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 23 Oct 2024 16:45:20 -0400 Subject: [PATCH 59/76] Redo lazy loading of formula, etc. Refs #72. --- periodictable/__init__.py | 333 ++++++++------------------------------ periodictable/formulas.py | 36 +++++ periodictable/nsf.py | 2 + 3 files changed, 109 insertions(+), 262 deletions(-) diff --git a/periodictable/__init__.py b/periodictable/__init__.py index 0472e0b..ca13d30 100644 --- a/periodictable/__init__.py +++ b/periodictable/__init__.py @@ -26,10 +26,10 @@ """ __docformat__ = 'restructuredtext en' -__all__ = ['elements', 'neutron_sld', 'xray_sld', - 'formula', 'mix_by_weight', 'mix_by_volume'] # and all elements __version__ = "2.0.0-pre" +import importlib + from . import core from . import mass from . import density @@ -38,7 +38,76 @@ elements = core.PUBLIC_TABLE mass.init(elements) density.init(elements) +del mass, density + +# Lazy loading of other element and isotope attributes +core.delayed_load( + ['covalent_radius', 'covalent_radius_units', 'covalent_radius_uncertainty'], + lambda: covalent_radius.init(elements)) +core.delayed_load( + ['crystal_structure'], + lambda: crystal_structure.init(elements)) +core.delayed_load( + ['neutron'], + lambda: nsf.init(elements), isotope=True) +core.delayed_load( + ['neutron_activation'], + lambda: activation.init(elements), + element=False, isotope=True) +core.delayed_load( + ['xray'], + lambda: xsf.init(elements), + ion=True) +core.delayed_load( + ['K_alpha', 'K_beta1', 'K_alpha_units', 'K_beta1_units'], + lambda: xsf.init_spectral_lines(elements)) +core.delayed_load( + ['magnetic_ff'], + lambda: magnetic_ff.init(elements)) + +# Lazy loading of modules and symbols from other modules. This is +# equivalent to using "from .formulas import formula" etc in __init__ +# except that the import doesn't happen until the symbol is referenced. +# Using "from periodictable import formula" will import the symbol immediately. +# "from periodictable import *" will import all symbols, including the lazy +_LAZY_MODULES = [ + 'activation', + 'covalent_radius', + 'crystal_structure', + 'nsf', + 'xsf', + 'magnetic_ff', + ] +_LAZY_LOAD = { + 'formula': 'formulas', + 'mix_by_weight': 'formulas', + 'mix_by_volume': 'formulas', + 'neutron_sld': 'nsf', + 'neutron_scattering': 'nsf', + 'xray_sld': 'xsf', +} +def __getattr__(name: str): + module_name = _LAZY_LOAD.get(name, None) + if module_name is not None: + # Attr is in the lazy list: fetch name from the target module + module = importlib.import_module(f'{__name__}.{module_name}') + symbol = getattr(module, name) + globals()[name] = symbol + return symbol + if name in _LAZY_MODULES: + return importlib.import_module(f'{__name__}.{name}') + raise AttributeError(f"{__name__}.{name} not found") +def __dir__() -> list[str]: + return __all__ +# Export variables for each element name and symbol. +__all__ = core.define_elements(elements, globals()) +__all__ = [ + 'elements', + *__all__, + *sorted(_LAZY_MODULES), + *sorted(_LAZY_LOAD.keys()), + ] # Data needed for setup.py when bundling the package into an exe def data_files(): @@ -62,263 +131,3 @@ def _finddata(ext, patterns): _finddata('xsf', ['*.nff', 'read.me'])), ('periodictable-data', _finddata('.', ['activation.dat', 'f0_WaasKirf.dat']))] return files - -# Export variables for each element name and symbol. -__all__ += core.define_elements(elements, globals()) - -def _load_covalent_radius(): - """ - covalent radius: average atomic radius when bonded to C, N or O. - """ - from . import covalent_radius - covalent_radius.init(elements) -core.delayed_load(['covalent_radius', - 'covalent_radius_units', - 'covalent_radius_uncertainty'], - _load_covalent_radius) - -def _load_crystal_structure(): - """ - Add crystal_structure property to the elements. - - Reference: - *Ashcroft and Mermin.* - """ - - from . import crystal_structure - crystal_structure.init(elements) -core.delayed_load(['crystal_structure'], _load_crystal_structure) - -def _load_neutron(): - """ - Neutron scattering factors, *nuclear_spin* and *abundance* - properties for elements and isotopes. - - Reference: - *Rauch. H. and Waschkowski. W., ILL Nuetron Data Booklet.* - """ - - from . import nsf - nsf.init(elements) -core.delayed_load(['neutron'], _load_neutron, isotope=True) - -def _load_neutron_activation(): - """ - Neutron activation calculations for isotopes and formulas. - - Reference: - *IAEA 273: Handbook on Nuclear Activation Data.* - *NBSIR 85-3151: Compendium of Benchmark Neutron Field.* - """ - from . import activation - activation.init(elements) -core.delayed_load(['neutron_activation'], _load_neutron_activation, - element=False, isotope=True) - -def _load_xray(): - """ - X-ray scattering properties for the elements. - - Reference: - *Center for X-Ray optics. Henke. L., Gullikson. E. M., and Davis. J. C.* - """ - - from . import xsf - xsf.init(elements) -core.delayed_load(['xray'], _load_xray, ion=True) - -def _load_emission_lines(): - """ - X-ray emission lines for various elements, including Ag, Pd, Rh, Mo, - Zn, Cu, Ni, Co, Fe, Mn, Cr and Ti. *K_alpha* is the average of - K_alpha1 and K_alpha2 lines. - """ - - from . import xsf - xsf.init_spectral_lines(elements) -core.delayed_load(['K_alpha', 'K_beta1', 'K_alpha_units', 'K_beta1_units'], - _load_emission_lines) - -def _load_magnetic_ff(): - """ - Magnetic Form Fators. These values are directly from CrysFML. - - Reference: - *Brown. P. J.(Section 4.4.5) - International Tables for Crystallography Volume C, Wilson. A.J.C.(ed).* - """ - - from . import magnetic_ff - magnetic_ff.init(elements) -core.delayed_load(['magnetic_ff'], _load_magnetic_ff) - - -# Constructors and functions -def formula(*args, **kw): - """ - Chemical formula representation. - - Example initializers: - - string: - m = formula( "CaCO3+6H2O" ) - sequence of fragments: - m = formula( [(1, Ca), (2, C), (3, O), (6, [(2, H), (1, O)]] ) - molecular math: - m = formula( "CaCO3" ) + 6*formula( "H2O" ) - another formula (makes a copy): - m = formula( formula("CaCO3+6H2O") ) - an atom: - m = formula( Ca ) - nothing: - m = formula() - - Additional information can be provided: - - density (|g/cm^3|) material density - natural_density (|g/cm^3|) material density with natural abundance - name (string) common name for the molecule - table (PeriodicTable) periodic table with customized data - - Operations: - m.atoms returns a dictionary of isotope: count for the - entire molecule - - Formula strings consist of counts and atoms such as "CaCO3+6H2O". - Groups can be separated by '+' or space, so "CaCO3 6H2O" works as well. - Groups and be defined using parentheses, such as "CaCO3(H2O)6". - Parentheses can nest: "(CaCO3(H2O)6)1" - Isotopes are represented by index, e.g., "CaCO[18]3+6H2O". - Counts can be integer or decimal, e.g. "CaCO3+(3HO0.5)2". - - For full details see help(periodictable.formulas.formula_grammar) - - The chemical formula is designed for simple calculations such - as molar mass, not for representing bonds or atom positions. - However, we preserve the structure of the formula so that it can - be used as a basis for a rich text representation such as - matplotlib TeX markup. - """ - from . import formulas - return formulas.formula(*args, **kw) - -def mix_by_weight(*args, **kw): - """ - Generate a mixture which apportions each formula by weight. - - :Parameters: - - *formula1* : Formula OR string - Material - - *quantity1* : float - Relative quantity of that material - - *formula2* : Formula OR string - Material - - *quantity2* : float - Relative quantity of that material - - ... - - *density* : float - Density of the mixture, if known - - *natural_density* : float - Density of the mixture with natural abundances, if known. - - *name* : string - Name of the mixture - - :Returns: - - *formula* : Formula - - If density is not given, then it will be computed from the density - of the components, assuming equal volume. - """ - from . import formulas - return formulas.mix_by_weight(*args, **kw) - -def mix_by_volume(*args, **kw): - """ - Generate a mixture which apportions each formula by volume. - - :Parameters: - - *formula1* : Formula OR string - Material - - *quantity1* : float - Relative quantity of that material - - *formula2* : Formula OR string - Material - - *quantity2* : float - Relative quantity of that material - - ... - - *density* : float - Density of the mixture, if known - - *natural_density* : float - Density of the mixture with natural abundances, if known. - - *name* : string - Name of the mixture - - :Returns: - - *formula* : Formula - - Densities are required for each of the components. If the density of - the result is not given, it will be computed from the components - assuming the components take up no more nor less space because they - are in the mixture. - """ - from . import formulas - return formulas.mix_by_volume(*args, **kw) - - -def neutron_sld(*args, **kw): - """ - Compute neutron scattering length densities for molecules. - - Returns scattering length density (real, imaginary and incoherent). - - See :class:`periodictable.nsf.neutron_sld` for details. - """ - from . import nsf - return nsf.neutron_sld(*args, **kw) - -def neutron_scattering(*args, **kw): - """ - Compute neutron scattering cross sections for molecules. - - Returns scattering length density (real, imaginary and incoherent), - cross sections (coherent, absorption, incoherent) and penetration - depth. - - See :func:`periodictable.nsf.neutron_scattering` for details. - """ - from . import nsf - return nsf.neutron_scattering(*args, **kw) - -def xray_sld(*args, **kw): - """ - Compute neutron scattering length densities for molecules. - - Either supply the wavelength (A) or the energy (keV) of the X-rays. - - Returns scattering length density (real, imaginary). - - See :class:`periodictable.xsf.Xray` for details. - """ - from . import xsf - return xsf.xray_sld(*args, **kw) - - -#del core, mass, density diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 4565e69..75e07d0 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -221,6 +221,42 @@ def formula(compound=None, density=None, natural_density=None, :Exceptions: *ValueError* : invalid formula initializer + Example compounds: + + string: + m = formula( "CaCO3+6H2O" ) + sequence of fragments: + m = formula( [(1, Ca), (2, C), (3, O), (6, [(2, H), (1, O)]] ) + molecular math: + m = formula( "CaCO3" ) + 6*formula( "H2O" ) + another formula (makes a copy): + m = formula( formula("CaCO3+6H2O") ) + an atom: + m = formula( Ca ) + nothing: + m = formula() + + Operations: + m.atoms returns {isotope: count, ...} for each atom in the compound. + + Formula strings consist of counts and atoms such as "CaCO3+6H2O". + Groups can be separated by '+' or space, so "CaCO3 6H2O" works as well. + Groups and be defined using parentheses, such as "CaCO3(H2O)6". + Parentheses can nest: "(CaCO3(H2O)6)1" + Isotopes are represented by index, e.g., "CaCO[18]3+6H2O". + Counts can be integer or decimal, e.g. "CaCO3+(3HO0.5)2". + Density can be specified in the formula using, e.g., "H2O@1". Isotopic + formulas can use natural density, e.g., "D2O@1n", or the expected density + with that isotope, e.g., "D2O@1.11". + + For full details see help(periodictable.formulas.formula_grammar) + + The chemical formula is designed for simple calculations such + as molar mass, not for representing bonds or atom positions. + However, we preserve the structure of the formula so that it can + be used as a basis for a rich text representation such as + matplotlib TeX markup. + After creating a formula, a rough estimate of the density can be computed using:: diff --git a/periodictable/nsf.py b/periodictable/nsf.py index 4413980..a0d2558 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -2022,3 +2022,5 @@ def main(): #sld_table() #coherent_comparison_table(tol=0.1) #incoherent_comparison_table(tol=0.1) + #absorption_comparison_table(tol=0.1) + #total_comparison_table(tol=0.1) From d9c5953fa2cc9d2bac7e3b116b75e59d3352d9d6 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 23 Oct 2024 17:05:25 -0400 Subject: [PATCH 60/76] Use log-log interpolation for xray f''. Fixes #55. --- doc/sphinx/guide/using.rst | 2 +- periodictable/xsf.py | 31 ++++++++++++++++--------------- 2 files changed, 17 insertions(+), 16 deletions(-) diff --git a/doc/sphinx/guide/using.rst b/doc/sphinx/guide/using.rst index ad45a35..7c5bf5d 100644 --- a/doc/sphinx/guide/using.rst +++ b/doc/sphinx/guide/using.rst @@ -29,7 +29,7 @@ Access particular elements as symbols: B absorption 767.0 >>> print("Ni f1/f2 for Cu K-alpha X-rays f'=%.5f f''=%.5f" ... % Ni.xray.scattering_factors(wavelength=Cu.K_alpha)) - Ni f1/f2 for Cu K-alpha X-rays f'=25.02293 f''=0.52493 + Ni f1/f2 for Cu K-alpha X-rays f'=25.02293 f''=0.52491 Access isotopes using mass number subscripts: diff --git a/periodictable/xsf.py b/periodictable/xsf.py index 7a77d63..eb52b92 100644 --- a/periodictable/xsf.py +++ b/periodictable/xsf.py @@ -178,7 +178,6 @@ .. [#Deslattes2003] R. D. Deslattes, E. G. Kessler, Jr., P. Indelicato, L. de Billy, E. Lindroth, and J. Anton. Rev. Mod. Phys. 75, 35-99 (2003). """ -from __future__ import with_statement __all__ = ['Xray', 'init', 'init_spectral_lines', 'xray_energy', 'xray_wavelength', 'xray_sld', 'xray_sld_from_atoms', @@ -187,7 +186,7 @@ ] import os.path -import numpy +import numpy as np from numpy import nan, pi, exp, sin, cos, sqrt, radians from .core import Element, Ion, default_table, get_data_path @@ -218,7 +217,7 @@ def xray_wavelength(energy): $c$ = speed of light in m/s """ - return planck_constant/electron_volt*speed_of_light/numpy.asarray(energy)*1e7 + return planck_constant/electron_volt*speed_of_light/np.asarray(energy)*1e7 def xray_energy(wavelength): r""" @@ -242,7 +241,7 @@ def xray_energy(wavelength): $c$ = speed of light in m/s """ - return planck_constant/electron_volt*speed_of_light/numpy.asarray(wavelength)*1e7 + return planck_constant/electron_volt*speed_of_light/np.asarray(wavelength)*1e7 class Xray(object): """ @@ -265,8 +264,8 @@ def _gettable(self): filename = os.path.join(self._nff_path, self.element.symbol.lower()+".nff") if self.element.symbol != 'n' and os.path.exists(filename): - xsf = numpy.loadtxt(filename, skiprows=1).T - xsf[1, xsf[1] == -9999.] = numpy.nan + xsf = np.loadtxt(filename, skiprows=1).T + xsf[1, xsf[1] == -9999.] = np.nan xsf[0] *= 0.001 # Use keV in table rather than eV self._table = xsf return self._table @@ -298,11 +297,13 @@ def scattering_factors(self, energy=None, wavelength=None): if energy is None: raise TypeError('X-ray scattering factors need wavelength or energy') - scalar = numpy.isscalar(energy) + scalar = np.isscalar(energy) if scalar: - energy = numpy.array([energy]) - f1 = numpy.interp(energy, xsf[0], xsf[1], left=nan, right=nan) - f2 = numpy.interp(energy, xsf[0], xsf[2], left=nan, right=nan) + energy = np.array([energy]) + f1 = np.interp(energy, xsf[0], xsf[1], left=nan, right=nan) + f2 = np.exp(np.interp( + np.log(energy), np.log(xsf[0]), np.log(xsf[2]), + left=nan, right=nan)) if scalar: f1, f2 = f1[0], f2[0] return f1, f2 @@ -505,10 +506,10 @@ def mirror_reflectivity(compound, density=None, natural_density=None, wavelength = xray_wavelength(energy) assert wavelength is not None, "scattering calculation needs energy or wavelength" angle = radians(angle) - if numpy.isscalar(wavelength): - wavelength = numpy.array([wavelength]) - if numpy.isscalar(angle): - angle = numpy.array([angle]) + if np.isscalar(wavelength): + wavelength = np.array([wavelength]) + if np.isscalar(angle): + angle = np.array([angle]) nv = index_of_refraction(compound=compound, density=density, natural_density=natural_density, wavelength=wavelength) @@ -701,7 +702,7 @@ def sld_table(wavelength=None, table=None): He 1.03 0.00 Li 3.92 0.00 Be 13.93 0.01 - B 18.40 0.02 + B 18.40 0.01 C 18.71 0.03 N 6.88 0.02 O 9.74 0.04 From 789c3411e508374bcb93b860df4285b6932a42b7 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Wed, 23 Oct 2024 17:18:11 -0400 Subject: [PATCH 61/76] delay type hinting until our oldest supported python allows list[str] --- periodictable/__init__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/periodictable/__init__.py b/periodictable/__init__.py index ca13d30..19a37d2 100644 --- a/periodictable/__init__.py +++ b/periodictable/__init__.py @@ -97,7 +97,7 @@ def __getattr__(name: str): if name in _LAZY_MODULES: return importlib.import_module(f'{__name__}.{name}') raise AttributeError(f"{__name__}.{name} not found") -def __dir__() -> list[str]: +def __dir__(): return __all__ # Export variables for each element name and symbol. From ca94dbd6f132be7c660e9d905e2db600e8dc1c2f Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Thu, 24 Oct 2024 11:35:26 -0400 Subject: [PATCH 62/76] Tweak lazy loading implementation. Refs #72. --- periodictable/__init__.py | 93 ++++++++++++++++++++------------------- 1 file changed, 48 insertions(+), 45 deletions(-) diff --git a/periodictable/__init__.py b/periodictable/__init__.py index 19a37d2..aac9711 100644 --- a/periodictable/__init__.py +++ b/periodictable/__init__.py @@ -28,19 +28,66 @@ __docformat__ = 'restructuredtext en' __version__ = "2.0.0-pre" +__all__ = ['elements'] # Lazy symbols and individual elements added later + import importlib from . import core from . import mass from . import density +_LAZY_MODULES = [ + 'activation', + 'covalent_radius', + 'crystal_structure', + 'nsf', + 'xsf', + 'magnetic_ff', + ] +_LAZY_LOAD = { + 'formula': 'formulas', + 'mix_by_weight': 'formulas', + 'mix_by_volume': 'formulas', + 'neutron_sld': 'nsf', + 'neutron_scattering': 'nsf', + 'xray_sld': 'xsf', +} +def __getattr__(name: str): + """ + Lazy loading of modules and symbols from other modules. This is + equivalent to using "from .formulas import formula" etc in __init__ + except that the import doesn't happen until the symbol is referenced. + Using "from periodictable import formula" will import the symbol immediately. + "from periodictable import *" will import all symbols, including the lazy + """ + module_name = _LAZY_LOAD.get(name, None) + if module_name is not None: + # Lazy symbol: fetch name from the target module + #print(f"from {__name__}.{module_name} import {name} [lazy]") + module = importlib.import_module(f'{__name__}.{module_name}') + symbol = getattr(module, name) + globals()[name] = symbol + return symbol + if name in _LAZY_MODULES: + # Lazy module: just need to import it + #print(f"import {__name__}.{name} [lazy]") + return importlib.import_module(f'{__name__}.{name}') + raise AttributeError(f"module '{__name__}' has not attribute '{name}'") +def __dir__(): + return __all__ +# Support 'from periodictable import *' and 'dir(periodictable)' +__all__ = [*__all__, *_LAZY_MODULES, *_LAZY_LOAD.keys()] + # Always make mass and density available elements = core.PUBLIC_TABLE mass.init(elements) density.init(elements) del mass, density -# Lazy loading of other element and isotope attributes +# Add element name and symbol (e.g. nickel and Ni) to the public attributes. +__all__ += core.define_elements(elements, globals()) + +# Lazy loading of element and isotope attributes, e.g., Ni.covalent_radius core.delayed_load( ['covalent_radius', 'covalent_radius_units', 'covalent_radius_uncertainty'], lambda: covalent_radius.init(elements)) @@ -65,50 +112,6 @@ ['magnetic_ff'], lambda: magnetic_ff.init(elements)) -# Lazy loading of modules and symbols from other modules. This is -# equivalent to using "from .formulas import formula" etc in __init__ -# except that the import doesn't happen until the symbol is referenced. -# Using "from periodictable import formula" will import the symbol immediately. -# "from periodictable import *" will import all symbols, including the lazy -_LAZY_MODULES = [ - 'activation', - 'covalent_radius', - 'crystal_structure', - 'nsf', - 'xsf', - 'magnetic_ff', - ] -_LAZY_LOAD = { - 'formula': 'formulas', - 'mix_by_weight': 'formulas', - 'mix_by_volume': 'formulas', - 'neutron_sld': 'nsf', - 'neutron_scattering': 'nsf', - 'xray_sld': 'xsf', -} -def __getattr__(name: str): - module_name = _LAZY_LOAD.get(name, None) - if module_name is not None: - # Attr is in the lazy list: fetch name from the target module - module = importlib.import_module(f'{__name__}.{module_name}') - symbol = getattr(module, name) - globals()[name] = symbol - return symbol - if name in _LAZY_MODULES: - return importlib.import_module(f'{__name__}.{name}') - raise AttributeError(f"{__name__}.{name} not found") -def __dir__(): - return __all__ - -# Export variables for each element name and symbol. -__all__ = core.define_elements(elements, globals()) -__all__ = [ - 'elements', - *__all__, - *sorted(_LAZY_MODULES), - *sorted(_LAZY_LOAD.keys()), - ] - # Data needed for setup.py when bundling the package into an exe def data_files(): """ From 01a957354ef65aebe04be758a96afa320496a018 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Thu, 24 Oct 2024 12:14:40 -0400 Subject: [PATCH 63/76] reorder activation.dat so that we can use table headers more easily when editing --- periodictable/activation.dat | 120 +++++++++++++++++------------------ 1 file changed, 60 insertions(+), 60 deletions(-) diff --git a/periodictable/activation.dat b/periodictable/activation.dat index 7ae4aa0..458b8c0 100644 --- a/periodictable/activation.dat +++ b/periodictable/activation.dat @@ -1,62 +1,3 @@ - Computational note: - For some numerical combinations with very large half-lives the numerical - precision is inadequate and you get negative results. This can be - corrected by reformulation or approximations but has not been done. - " Remember, the X in EXP(X) is limited to |X|<709" - - ********************************************************************** - WARNING: If you SORT this table take care to include all columns!!! - Otherwise all is lost and you have no means to unscramble your action - "WARNING: A relative reference is used in the daughter nuclide entry. That is, the parent must be on the line directly above the daughter!" - " DO NOT change the order of the parent daughter pairs, upon pain of erroneous results" - " This caution applies to both ""b"" and ""2n"" mode production." - ********************************************************************** - - Notes: - Simplifications have been made as indicated in the comments column. - "Typically, for a decay chain where the daughter is also produced (isomers)" - the s of the parent has been added to that of the daughter when the - daughter t1/2 is much longer (true for most cases) and the parent - " t1/2 is relatively short, e.g. less than 1 day, so that allthe daughter" - will be made relatively promptly. - In cases where the above condition is not met an * is put next to the - nuclide name to warn that the daughter production has not been accounted - for. In most cases the daughter is in a simple decay equilibrium. - Where the decay product is a new nuclide a line has been added to the - database to account for this. This production mode is indicated in - the reaction column by 'b'. Where both m and g state contribute to daughter - " production it is simplified to a single parent, that with the greater" - cross-section or that with the longer half-life together with the sum of the cross-sections. - In a few cases where the parent nuclide t1/2 is very short all production - " is assigned to the daughter and no entry is made for the parent, as" - noted in the comments column. - No correction for neutron burn up has been made - Most cross-section data is from IAEA 273. - "Fast neutron data from NBSIR 85-3151, Compendium of Benchmark Neutron Fields" - " is for reaction above the Cd cutooff, .4eV. Noted in comment column" - Fast neutron reaction data from IAEA 273 has been weighted by a unit fluence - " fast maxwellian spectrum as described in NBSIR 85-3151, but no further" - weighting for a 1/v or thermal component has been made. Only selected - reactions have been included. - - - fast? : identifies fast neutron reactions so fast fluence reduction factor can be applied. - "isomer : identifies isomers, and is used to flag radioactive daughter info" - %IT : Info only. Not used in any spreadsheet calculation. - Resonance: the cross-section above the nominal Cd cutoff. - Basically useful if you already know the answer. - - - Notation on nuclide name - "m,m1,m2 indicate metastable states. Decay may be the ground state or another nuclide." - + indicates radioactive daughter production already included in daughter listing - several parent t1/2's required to acheive calculated daughter activity. All act. assigned at end of irradiation. - In most cases the added activity to the daughter is small. - "* indicates radioactive daughter production NOT calculated, approx secular equilibrium" - s indicates radioactive daughter of this nuclide in secular equilibrium after several daughter t1/2's - t indicates transient equil via beta decay. Accumulation of that nuclide during irradiation is separately calculated. - Reaction = b indicates production via decay from an activation produced parent - |..............| Target Element Isotopic Reaction Cross-section b or 2n mode production Index Symbol % Resulting t1/2 isomer ^ Thermal Resonance t1/2 t1/2 of Cross-section (b) of 2n precursor Z ^ A Abund Nuclide t1/2 unit ^ %IT fast (b) g(T) (b) t1/2 as text parent & burnup X-sect of 2n parent @@ -577,4 +518,63 @@ Bi 513 83 Bi 209 Bi-209 100 Bi-211 2.14 m 2n n 0.014 0.035666667 2.14 m 120. xx 514 xx error error ^^^ Take care. The formulas in this column are NOT - all the same. Each is different depending on the halflife unit \ No newline at end of file + all the same. Each is different depending on the halflife unit + + Computational note: + For some numerical combinations with very large half-lives the numerical + precision is inadequate and you get negative results. This can be + corrected by reformulation or approximations but has not been done. + " Remember, the X in EXP(X) is limited to |X|<709" + + ********************************************************************** + WARNING: If you SORT this table take care to include all columns!!! + Otherwise all is lost and you have no means to unscramble your action + "WARNING: A relative reference is used in the daughter nuclide entry. That is, the parent must be on the line directly above the daughter!" + " DO NOT change the order of the parent daughter pairs, upon pain of erroneous results" + " This caution applies to both ""b"" and ""2n"" mode production." + ********************************************************************** + + Notes: + Simplifications have been made as indicated in the comments column. + "Typically, for a decay chain where the daughter is also produced (isomers)" + the s of the parent has been added to that of the daughter when the + daughter t1/2 is much longer (true for most cases) and the parent + " t1/2 is relatively short, e.g. less than 1 day, so that allthe daughter" + will be made relatively promptly. + In cases where the above condition is not met an * is put next to the + nuclide name to warn that the daughter production has not been accounted + for. In most cases the daughter is in a simple decay equilibrium. + Where the decay product is a new nuclide a line has been added to the + database to account for this. This production mode is indicated in + the reaction column by 'b'. Where both m and g state contribute to daughter + " production it is simplified to a single parent, that with the greater" + cross-section or that with the longer half-life together with the sum of the cross-sections. + In a few cases where the parent nuclide t1/2 is very short all production + " is assigned to the daughter and no entry is made for the parent, as" + noted in the comments column. + No correction for neutron burn up has been made + Most cross-section data is from IAEA 273. + "Fast neutron data from NBSIR 85-3151, Compendium of Benchmark Neutron Fields" + " is for reaction above the Cd cutooff, .4eV. Noted in comment column" + Fast neutron reaction data from IAEA 273 has been weighted by a unit fluence + " fast maxwellian spectrum as described in NBSIR 85-3151, but no further" + weighting for a 1/v or thermal component has been made. Only selected + reactions have been included. + + + fast? : identifies fast neutron reactions so fast fluence reduction factor can be applied. + "isomer : identifies isomers, and is used to flag radioactive daughter info" + %IT : Info only. Not used in any spreadsheet calculation. + Resonance: the cross-section above the nominal Cd cutoff. + Basically useful if you already know the answer. + + + Notation on nuclide name + "m,m1,m2 indicate metastable states. Decay may be the ground state or another nuclide." + + indicates radioactive daughter production already included in daughter listing + several parent t1/2's required to acheive calculated daughter activity. All act. assigned at end of irradiation. + In most cases the added activity to the daughter is small. + "* indicates radioactive daughter production NOT calculated, approx secular equilibrium" + s indicates radioactive daughter of this nuclide in secular equilibrium after several daughter t1/2's + t indicates transient equil via beta decay. Accumulation of that nuclide during irradiation is separately calculated. + Reaction = b indicates production via decay from an activation produced parent From 2bc1ffc2d48ef75f2aced1a7dc197300f568010a Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Thu, 24 Oct 2024 17:30:11 -0400 Subject: [PATCH 64/76] Use more stable algorithm to estimate decay time. --- ChangeLog.rst | 1 + periodictable/activation.py | 44 +++++++++++--------- test/test_activation.py | 80 +++++++++++++++++++++++++------------ 3 files changed, 80 insertions(+), 45 deletions(-) diff --git a/ChangeLog.rst b/ChangeLog.rst index 1473e3d..57d34e3 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -38,6 +38,7 @@ Modified: * Updated bound coherent scattering length for H-1, H-2, He-4, C-12, O-16, O-17, O-18, Sn-119, Sm-154, Eu-153, Pb-207, Bi-209 * Updated total cross section for He, Kr, Xe +* Use log-log interpolation for X-ray f'' Breaking changes: diff --git a/periodictable/activation.py b/periodictable/activation.py index a5a48b4..1ba1acd 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -165,7 +165,7 @@ def calculate_activation(self, environment, exposure=1, A = activity(el[iso], iso_mass, environment, exposure, rest_times) self._accumulate(A) - def decay_time(self, target): + def decay_time(self, target, tol=1e-10): """ After determining the activation, compute the number of hours required to achieve a total activation level after decay. @@ -173,30 +173,32 @@ def decay_time(self, target): if not self.rest_times or not self.activity: return 0 - # Find the small rest time (probably 0 hr) - min_rest, To = min(enumerate(self.rest_times), key=lambda x: x[1]) + # Find the smallest rest time (probably 0 hr) + k, t_k = min(enumerate(self.rest_times), key=lambda x: x[1]) # Find the activity at that time, and the decay rate data = [ - (Ia[min_rest], LN2/a.Thalf_hrs) + (Ia[k], LN2/a.Thalf_hrs) for a, Ia in self.activity.items() # TODO: not sure why Ia is zero, but it messes up the initial value guess if it is there - if Ia[min_rest] > 0.0 + if Ia[k] > 0.0 ] - # Build functions for total activity at time T - target and its derivative - # This will be zero when activity is at target - f = lambda t: sum(Ia*exp(-La*(t-To)) for Ia, La in data) - target - df = lambda t: sum(-La*Ia*exp(-La*(t-To)) for Ia, La in data) - # Return target time, or 0 if target time is negative - if f(0) < target: - return 0 # Need an initial guess near the answer otherwise find_root gets confused. # Small but significant activation with an extremely long half-life will # dominate at long times, but at short times they will not affect the # derivative. Choosing a time that satisfies the longest half-life seems # to work well enough. + guess = max(-log(target/Ia)/La + t_k for Ia, La in data) + # With times far from zero the time resolution in the exponential is + # poor. Adjust the start time to the initial guess, rescaling intensities + # to the activity at that time. + adj = [(Ia*exp(-La*(guess-t_k)), La) for Ia, La in data] + #print(adj) + # Build f(t) = total activity at time T minus target activity and its + # derivative df/dt. f(t) will be zero when activity is at target + f = lambda t: sum(Ia*exp(-La*t) for Ia, La in adj) - target + df = lambda t: sum(-La*Ia*exp(-La*t) for Ia, La in adj) #print("data", data, []) - initial = max(-log(target/Ia)/La + To for Ia, La in data) - t, ft = find_root(initial, f, df) + t, ft = find_root(0, f, df, tol=tol) percent_error = 100*abs(ft)/target if percent_error > 0.1: #return 1e100*365*24 # Return 1e100 rather than raising an error @@ -204,7 +206,9 @@ def decay_time(self, target): "Failed to compute decay time correctly (%.1g error). Please" " report material, mass, flux and exposure.") % percent_error raise RuntimeError(msg) - return t + # Return time at least zero hours after removal from the beam. Correct + # for time adjustment we used to stablize the fit. + return max(t+guess, 0.0) def _accumulate(self, activity): for el, activity_el in activity.items(): @@ -287,8 +291,8 @@ def find_root(x, f, df, max=20, tol=1e-10): """ fx = f(x) for _ in range(max): - #print(f"step {_}: {x=} {fx=} f'={df(x)}") - if abs(f(x)) < tol: + #print(f"step {_}: {x=} {fx=} df/dx={df(x)} dx={fx/df(x)}") + if abs(fx) < tol: break x -= fx / df(x) fx = f(x) @@ -409,7 +413,7 @@ def activity(isotope, mass, env, exposure, rest_times): * AK1495 (Au-198 => Au-199 2n) target should be Au-197 * AN1428 (Tm-169 => Tm-171 2n) t1/2 updated to Tm-171 rather than Tm-172 * AN1420 (Er-162 => Ho-163 b) t1/2 updated to 4570 y from 10 y - * AT1508 (Pb-208 => Pb-209 act) Thermal (b) x1000 to convert from mbarns to barns + * AT1508 (Pb-208 => Pb-209 act) Thermal (b) x 1000 to convert from mbarns to barns """ # TODO: is the table missing 1-H => 3-H ? # 0nly activations which produce radioactive daughter products are @@ -650,8 +654,10 @@ def init(table, reload=False): class ActivationResult(object): def __init__(self, **kw): self.__dict__ = kw + def __repr__(self): + return f"ActivationResult({self.isotope},{self.reaction},{self.daughter})" def __str__(self): - return str(self.__dict__) + return f"{self.isotope}={self.reaction}=>{self.daughter}" def demo(): # pragma: nocover diff --git a/test/test_activation.py b/test/test_activation.py index bf0816a..77b8a6e 100644 --- a/test/test_activation.py +++ b/test/test_activation.py @@ -31,30 +31,17 @@ def _get_Au_activity(fluence=1e5): assert (act2 - 1000*act1) < 1e-8 # Smoke test: does every element run to completion? - formula = "".join(str(el) for el in pt.elements)[1:] + formula = "".join(str(el) for el in pt.elements) # Use an enormous mass to force significant activation of rare isotopes mass, fluence, exposure = 1e15, 1e8, 10 env = ActivationEnvironment(fluence=fluence, Cd_ratio=70, fast_ratio=50, location="BT-2") sample = Sample(formula, mass=mass) sample.calculate_activation( - env, exposure=exposure, rest_times=(0, 1, 24, 360), + env, exposure=exposure, rest_times=(0, 1, 24), abundance=IAEA1987_isotopic_abundance, #abundance=table_abundance, ) - - # TODO: Why aren't we matching the spreadsheet results? - results = { - # The following were labelled as spreadsheet results - #"Co-60m+": [5186.888, 98.878, 2.751e-38], - #"Co-61": [2.689e-8, 1.767e-8, 1.127e-12], - #"Co-60": [1.550322, 1.550299, 1.549764], - #"Co-61": [5.695e-8, 3.741e-8, 2.386e-12], - # Values as of R1.7.0 - "Co-60m+": [5088.093018977685, 96.91335724994167, 2.6450954672880745e-38], - "Co-61": [7.309565456941425e-09, 4.802298351964856e-09, 3.0568451604601675e-13], - "Co-60": [0.15507562804846606, 0.15507330056693813, 0.15501977813208836], - "Co-61": [1.3649499351603886e-09, 8.967560195949139e-10, 5.708192406435261e-14], - } + #sample.show_table(cutoff=0) sample = Sample('Co', mass=10) env = ActivationEnvironment(fluence=1e8) @@ -63,25 +50,66 @@ def _get_Au_activity(fluence=1e5): abundance=IAEA1987_isotopic_abundance, #abundance=table_abundance, ) - print(sample.activity) + #sample.show_table(cutoff=0) + # ACT_2N_X.xls for 10g Co at Io=1e8 for t = [0, 1, 24] + # There are duplicate entries for Co-61 because there are different + # activation paths for 59Co + n -> 61Co. + # Results are limited to 3 digits because formulas use ln(2) = 0.693. There + # is also precision loss on the calculation of differences in exponentials, + # with exp(a) - exp(b) converted to exp(b)(exp(a-b) - 1) = exp(b)expm1(a-b) + # in activation.py. + # results = { + # "C0-60m+": [5.08800989419543E+03, 9.69933141298983E+01, 2.69898447909379E-38], + # "Co-61": [7.30937687202485E-09, 4.80260282859366E-09, 3.06331725449002E-13], + # "Co-60": [1.55042700053951E-01, 1.55040373560730E-01, 1.54986873850802E-01], + # "Co-61": [1.36469792582999E-09, 8.96670432174800E-10, 5.71936948464344E-14], + # } + # Results from R2.0.0-pre + results = { + "Co-60m+": [5.08746786932552e+03, 9.69014499692868e+01, 2.64477047705988e-38], + "Co-61": [7.30866736559643e-09, 4.80170831653643e-09, 3.05646958051663e-13], + "Co-60": [1.55056574647797e-01, 1.55054247452235e-01, 1.55000731593431e-01], + "Co-61": [1.36478223029061e-09, 8.96645839472098e-10, 5.70749106813738e-14], + } + #print(list(sample.activity.keys())) + #print(dir(list(sample.activity.keys())[0])) for product, activity in sample.activity.items(): - print(f' "{product.daughter}": {activity},') + #print(product) + #print(dir(product)) + # Uncomment to show new table values + activity_str = ",\t".join(f"{Ia:.14E}" for Ia in activity) + #print(f' "{product.daughter}":\t[{activity_str}],') assert product.daughter in results, f"Missing {product.daughter}" - print(results[product.daughter]) - print(activity) - #assert np.allclose(results[product.daughter], activity, atol=0, rtol=1e-12) - + # TODO: include duplicate decay paths in test, or identical daughters + # Test that results haven't changed since last update + if product.daughter != "Co-61": + assert np.allclose(results[product.daughter], activity, atol=0, rtol=1e-12) # 129-I has a long half-life (16 My) so any combination of exposure # fluence and mass that causes significant activation will yield a product # that is radioactive for a very long time. sample = Sample('Te', mass=1e13) env = ActivationEnvironment(fluence=1e8) - sample.calculate_activation(env, rest_times=[0]) + sample.calculate_activation(env, rest_times=[1,10,100]) + #sample.show_table(cutoff=0) target = 1e-5 - decay = sample.decay_time(target) - sample.calculate_activation(env, rest_times=[0, decay]) + t_decay = sample.decay_time(target) + #print(f"{t_decay=}") + sample.calculate_activation(env, rest_times=[t_decay]) total = sum(v[-1] for v in sample.activity.values()) - assert abs(total - target)/target < 1e-6, f"total activity {total} != {target}" + assert abs(total - target) < 1e-10, f"total activity {total} != {target}" + + # Al and Si daughters have short half-lives + sample = Sample('AlSi', mass=1e13) + env = ActivationEnvironment(fluence=1e8) + sample.calculate_activation(env, rest_times=[100,200]) + #sample.show_table(cutoff=0) + target = 1e-5 + t_decay = sample.decay_time(target) + #print(f"{t_decay=}") + sample.calculate_activation(env, rest_times=[t_decay]) + total = sum(v[-1] for v in sample.activity.values()) + assert abs(total - target) < 1e-10, f"total activity {total} != {target}" + test() From c173555ecaef98f75887982bd79a2d6bc350e08c Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Thu, 24 Oct 2024 20:34:36 -0400 Subject: [PATCH 65/76] Add docs from activation spreadsheet --- periodictable/activation.py | 398 ++++++++++++++++++++++++++++++++---- test/test_activation.py | 21 +- 2 files changed, 380 insertions(+), 39 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index 1ba1acd..9bf130c 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -5,32 +5,77 @@ r""" Calculate expected neutron activation from time spent in beam line. -Notation information for activation product: - - m, m1, m2: indicate metastable states. Decay may be to the ground state or to - another nuclide. - - \+: indicates radioactive daughter production already included in daughter listing - several parent t1/2's required to acheive calculated daughter activity. All - activity assigned at end of irradiation. In most cases the added activity to the - daughter is small. - - \*: indicates radioactive daughter production NOT calculated, approximately - secular equilibrium - - s: indicates radioactive daughter of this nuclide in secular equilibrium after several - daughter t1/2's - - t: indicates transient equilibrium via beta decay. Accumulation of that nuclide - during irradiation is separately calculated. - -Reaction = b indicates production via decay from an activation produced parent - Accounts for burnup and 2n, g production. This is only a gross estimate. Many effects are not taken into account, such as self-shielding in the sample and secondary activation from the decay products. +**Introduction to neutron activation terminology** + +See a text!! These are just a few notes to refresh the memory of those who +already know the topic. + +Reactions: The most common reaction is the simple addition of a neutron, +thereby increasing its atomic number by one but leaving it as the same +element. Not all activation products are radioactive. Those that are not are +not included in this database. Beware that there are production chains that +depend upon these intermediate products. This database does not address those +more complicated processes. + +There are exceptions to the simple addition process such as the n,alpha +reaction of Li-6. These then result in a different element as the activation +product. These are identified in the reaction column. Radioactive products +also have the potential of undergoing a neutron reaction. This is +accounted for in this database for selected products (generally those that +result in significant half-life products). These reactions and products +should only be important at very high fluences, i.e., >1E16 n/cm2. + +Neutron energy: The majority of the reactions are initiated by thermal neutrons. +As a practical matter the number of thermal neutrons is usually measured with a +cadmium filter. This excludes the neutrons above the cadmium absorption +threshold, called the cadmium cutoff. For most materials the resulting measured +'thermal' neutron fluence is adequate to determine the thermal neutron +activation. A few materials have large cross-sections for the neutrons above the +cadmium cutoff. Hence a 'cadmium ratio' is needed to predict the number of +neutrons present above this cutoff, as seen by the specific reaction of +interest. + +For the same neutron spectrum two different elements will have different +cadmium ratios. Similarly, for the same reaction but different neutron +environments the ratio will also vary. Copper is a good material on which +to predict the thermal-to-epithermal fluence ratio since its two cross-sections +are about equal. If you use the ratio of another reaction, correct the +activity ratio of the nuclide by the cross-section ratio in order to derive +the extimated fluence ratio. Take care. By definition, the cadmium ratio +is an activity ratio, not a fluence ratio. [Note: This ratio is divided +into the specfied thermal neutron fluence rate to get the epithermal rate.] + +Fast neutron reactions: There are also those reactions that depend on +higher energy neutrons. These can be of a great variety: n,gamma; n,p; +n,d; n,alpha; n,triton; etc. Any they are highly variable in how high the +neutron energy must be to initiate the reaction. In general the cross- +sections are relatively small, e.g., 10's of millibarns and less as compared +to 1000's of barns in some cases for thermal reactions. Plus the fast +neutron fluences are much smaller so that in general the amount of the +activation product is much less than for thermal production processes. + +Barn: As they say- just how big is the broad side of that barn? For neutrons +it is 1 E-24 cm2, e.g. 0.000000000000000000000001 square cm. Millibarns +are of course for the _______ (leprechauns?). + +Calulation: +(number of atoms)*(cross-section)*(no. of neutrons)*(decay correction)*C.F. + +Number of atoms: mass*avagadro's number*isotopic abundance/mole.weight + where the mass is that of the target element, not the whole sample. + +Decay correction: Since the radioactive product decays while it is being + made one must correct for this using (1-exp(-0.693*t/hlflf)) + where t is the exposure time and hlflf is the product halflife + +C.F: includes unit conversion factors, e.g., convert to microcuries + + Example:: >>> from periodictable import activation @@ -71,8 +116,112 @@ Handbook on Nuclear Activation Data. TR 273 (International Atomic Energy Agency, Vienna, Austria, 1987). http://cds.cern.ch/record/111089/files/IAEA-TR-273.pdf + +Code original developed for spreadsheet by Les Slaback of NIST. """ +# Comments on ACT_2N_X.xls from ACT_CALC.TXT +# +# Fast neutron cross-sections added 2/1/94 +# +# One database error detected and corrected at this time. +# +# Corrections made 3/4/94 +# +# 1. Halflife for entry 21 entered. (previous entry blank) +# 2. Cross-section for entry 311 entered (previous entry blank) +# 3. 2 beta mode entries - added parent lambda's +# 4. Changed range of look up function in 2 columns to include last row. +# 5. With 9E15 y halflife the calculation always returned 0 microcuries! +# The 9E15 exceeds a math precision resulting in zero being assigned to the +# the function 1-e(-x). For any value of x<1E-10 the approximation x+x^2/2 +# is more accurate, and for values of X<1E-16 this approximation returns a +# non-zero value while 1-e(-x)=0. +# Appropriate changes have been made, but in fact only two entries are +# affected by this, one with a 12 Ty halflife and one with a 9000Ty t1/2. +# The equations for "b" mode production were not changed because they are +# more complex, and none of the halflives currently in the database related +# to this mode are a problem. Take care if you add more with very long halflives. +# [PAK: These have since been updated to use expm1()] +# 6. The cross-section for the reaction Sr-88(n,gamma)Sr-89 was reduced from +# .058 to .0058 b. The entry of .058 in IAEA273 is in error, based on a +# number of other references (including IAEA156). +# 7. The unit for the halflife of Pm-151 coorected from 'm' to 'h' +# +# Changes made in April 1994 +# +# 1. Burnup cross-sections added to the database and nuclides produced by +# two neutron additions (2n,gamma) have been added. The activation equations +# have been changed to account for burnup. This does not become significant +# until exposures exceed 1e17 n/cm2 (e.g., 1e10 n/cm2/sec*1000 hrs), even for +# those with very large cross-sections. Note that 'burnup' can be viewed as +# loss of the intended n,gamma product or as a 2n,gamma production mode. Both +# effects are included in the database and equations. +# 2.ACT_CALC.WQ1 does not have the burnup equations or related cross-section data. +# ACT_2N.WQ1 has the added equations and data, but requires manual entry of the +# cross-section database index numbers. +# ACT_2N_X.WQ1 allows direct entry of the chemical element to retrieve ALL +# entries from the database for that element +# Results from both have been compared to assure that the new spreadsheet +# is correct. Also the Au-197(2n,g)Au-199 reaction has been checked against +# a textbook example (Friedlander,Kennedy,Miller:Nuclear Chemistry). +# 3.An educational note related to this addition: +# Computing the equation [exp(-x)-exp(-y)] in that syntax is better than using +# [exp(-x)*(1-exp(x-y))]. The latter format blows up when large +# values of X and Y are encountered due to computational limitations for these +# functions in a PC. But this problem was only encountered in excess of +# 1E22 n/cm2. +# 4. 61 (2n,g) reactions have been added. You will note many more +# radionuclides with secondary capture cross-sections. Many of these go to +# stable nuclides (particularly the larger x-section ones - logically enough). +# The isomer-ground state pairs that have 2n modes to the same resulting +# nuclide are treated one of several ways. +# - if the obvious dominate pathway is only through the ground state then +# only production via that mode is included. +# - if the combination of parent halflives and production cross-sections +# make it unclear as to which is the dominant production mode then both +# are calculated. Beware, these are not necessarily additive values. +# Sometimes the ground state also reflects production via the isomer. +# See the specific notes for any particular reaction. +# 5.None of the entries for production via 'b' (beta decay ingrowth from a +# neutron induced parent) account for burnup. Those with significant burnup +# cross-sections have a specific note reminding of this. This is an issue +# only at high fluence rates. +# 6.Note that the database entries have different meanings for 'b' and '2n' +# production modes. For instance, the first set of cross-sections (proceeding +# horizontally for a particular database entry) is not the cross-section of +# the 2n reaction, but that to produce the parent. The second set of cross- +# sections which are the burnup cross-sections for n,g; n,p; n,alpha; etc. +# reactions are the production cross-sections for the 2n reactions. +# 7.If you want to determine how much burnup is occurring do one of the +# following: +# - do the calculation separately in ACT_CALC and ACT_2N. +# - do the calculation at a low fluence, e.g., 1E7, prorate to the fluence +# of interest, and compare to the result calculated directly. Make +# certain the same exposure time is used. You cannot prorate this +# parameter. +# +# Additions/changes made July 1997 +# +# The following n,p and n,alpha reactions have both a thermal cross-section (as +# per IAEA273) and a fast cross-section. In all cases the database entry was for +# the fast cross-section but indicated it was a thermal reaction. That has been +# corrected (and verified against IAEA156) and a second entry made for the thermal +# reaction. Despite the entry in IAEA 273 there is some question as to whether +# the thermal induced reaction is energetically possible. Dick Lindstrom's +# calculation shows that the coulomb barrier should prevent the thermal reaction +# from being possible. +# +# The entries changed, and added, are for the following: +# +# 35Cl (n,p) +# 35Cl (n,alpha) +# 33S (n,p) +# 39K (n,alpha) +# 40Ca (n,p) +# 58Ni (n,alpha) + + from __future__ import division, print_function from math import exp, log, expm1 @@ -137,18 +286,19 @@ def calculate_activation(self, environment, exposure=1, rest_times=(0, 1, 24, 360), abundance=table_abundance): """ - Calculate sample activation after exposure to a neutron flux. + Calculate sample activation (uCi) after exposure to a neutron flux. *environment* is the exposure environment. *exposure* is the exposure time in hours (default is 1 h). - *rest_times* is the list of deactivation times in hours (default is [0, 1, 24, 360]). + *rest_times* are deactivation times in hours (default [0, 1, 24, 360]). - *abundance* is a function that returns the relative abundance of an isotope. By - default it uses :func:`table_abundance` with natural abundance defined - in :mod:`periodictable.mass`, but there is the alternative - :func:`IAEA1987_isotopic_abundance` in the activation data table. + *abundance* is a function that returns the relative abundance of an + isotope. By default it uses :func:`table_abundance` with natural + abundance defined in :mod:`periodictable.mass`, but there is the + alternative :func:`IAEA1987_isotopic_abundance` in the activation data + table. """ self.activity = {} self.environment = environment @@ -316,13 +466,63 @@ class ActivationEnvironment(object): Thermal neutron fluence on sample. For COLD neutrons enter equivalent thermal neutron fluence. + **Warning**: For very high fluences, e.g., >E16 to E17 n/cm2, the + equations give erroneous results because of the precision limitations. + If there is doubt simply do the calculation at a lower flux and + proportion the result. This will not work for the cascade reactions, + i.e., two neutron additions. + *Cd_ratio* : float Neutron cadmium ratio. Use 0 to suppress epithermal contribution. + This is to account for those nuclides that have a significant + contribution to the activation due to epithermal neutrons. This is + tabulated in the cross-section database as the 'resonance cross- + section'. Values can range from 4 to more than 100. + + ....... Use 0 for your initial calculation .......... + + If you do a specific measurement for the nuclide and spectrum + of interest you simply apply a correction to the thermal based + calculation, i.e., reduce the fluence by the appropriate factor. + + This computation can be based on a Cd ratio of a material that has + no significant resonance cross-section, or that has been corrected + so that it reflects just the thermal to epithermal fluence ratio. + The computation simply adds a portion of this resonance cross-section + to the thermal cross-section based on the presumption that the + Cd ratio reflects the fluence ratio. Copper is a good material on + which to equate the Cd ratio to the thermal-epithermal fluence ratio. + + For other materials, correct for the thermal:epithermal cross-section + ratio. + + At the NBSR this ranges from 12 in mid-core, to 200 at RT-4, to + >2000 at a filtered cold neutron guide position. + *fast_ratio* : float - Thermal/fast ratio needed for fast reactions. Use 0 to suppress fast contribution. + Thermal/fast ratio needed for fast reactions. Use 0 to suppress fast + contribution. + + this is very reaction dependent. You in essence need to know the + answer before you do the calculation! That is, this ratio depends + upon the shape of the cross-section curve as well as the spectrum + shape above the energy threshold of the reaction. But at least you + can do 'what-if' calculations with worse case assumptions (in the + absence of specific ratios). + + the fast cross-sections in this database are weighted for a fast + maxwellian spectrum so the fast/thermal ratio should be just a + fluence correction (i.e., a fluence ratio), not an energy correction. + + Fast neutron cross-sections from IAEA273 are manually spectrum weighted. + Those from IAEA156 are fission spectrum averaged as tabulated. + + Use 50 (for NBSR calculations) as a starting point if you simply + exploring for possible products. + """ def __init__(self, fluence=1e5, Cd_ratio=0., fast_ratio=0., location=""): self.fluence = fluence # cell F13 @@ -547,6 +747,139 @@ def activity(isotope, mass, env, exposure, rest_times): return result +class ActivationResult(object): + r""" + *isotope* : + + Activation target for this result ({symbol}-{A}) + + *abundance* : float | % + + IAEA 1987 isotopic abundance of activation target + + *symbol* : + + Element symbol for isotope + + *A* : int + + Number of protons plus neutrons in isotope + + *Z* : int + + Number of protons in isotope + + *reaction* : + + Activation type + + - "act" for (n,gamma) + - "n,p" for (n,proton) + - "n,a" for (n,alpha) + - "2n" for activation of a daughter (e.g., 95Mo + n => 95Nb + n => 96Nb) + - "n,2n" for neutron catalyzed release of a neutron + - "b" for beta decay of a daughter (e.g., 98Mo + n => 99Mo => Tc-99) + + *comments* : + + Notes relating to simplifications or assumptions in the + database. For most situations these do not affect your results. + + *daughter* : + + Daughter product from activation ({symbol}-{A}{isomer}) + + *isomer* : + + Daughter product isotope annotation + + m, m1, m2: indicate metastable states. Decay may be to the ground + state or to another nuclide. + + \+: indicates radioactive daughter production already included in + daughter listing several parent t1/2's required to acheive calculated + daughter activity. All activity assigned at end of irradiation. In + most cases the added activity to the daughter is small. + + \*: indicates radioactive daughter production NOT calculated, + approximately secular equilibrium + + s: indicates radioactive daughter of this nuclide in secular equilibrium + after several daughter t1/2's + + t: indicates transient equilibrium via beta decay. Accumulation of that + nuclide during irradiation is separately calculated. + + *Thalf_hrs* : float | hours + + Half-life of daughter in hours + + *Thalf_str* : + + Half-life of daughter as string, such as "29.0 y" + + *Thalf_parent* : float | hours + + Half-life of parent in chained "2n" or "b" reaction + + *fast* : bool + + Indicates whether the reaction is fast or thermal. If fast then the + fluence is reduced by the specified fast/thermal ratio. When + *fast_ratio* is zero in the environment this activation will not appear. + + *thermalXS*, *resonance*, *thermalXS_parent*, *resonance_parent* : + + Activation database values for computing the reaction cross section. + + *gT*, *percentIT* : + + Unused. + + Database notes: + + Most of the cross-section data is from IAEA 273. This is an excellent + compilation. I highly recommend its purchase. The fast neutron cross-section + data entered in the spreadsheet is weighted by an U-235 maxwellian + distributed fission spectrum. Allthermal reactions producing nuclides with a + half-life in excess of 1 second, and some less than 1 second, are included. + Also included are radioactive daughters with halflives substantially longer + than the parent produced by the neutron induced reaction, i.e., those + daughters not in secular equilibrium. See the database in for more detailed + notes relating to the database entries. + + [Note: 150 fission spectrum averaged fast neutron reactions added from + IAEA156 on 2/1/94. All those that are tabulated as measured have been + entered. Those estimated by calculation have not been entered. In practice + this means that the convenient, observable products are in this database. + Fast reactions included are n,p; n,alpha; n,2n; and n,n'. + + Reaction = b : This is the beta produced daughter of an activated parent. + This is calculated only for the cases where the daughter is long lived + relative to the parent. In the reverse case the daughter activity is + reasonably self evident and the parent nuclide is tagged to indicate a + radioactive daughter. The calculated activity of the beta produced + daughter is through the end of irradiation. Contributions from the + added decay of the parent after the end of irradiation are left for the + user to determine, but are usually negligible for irradiations that are + long relative to the parent halflife: + + A1 = K [1-exp(-L1*t)] where A1 is activity, L1 is decay constant + + For the beta produced daughter the activity (A2) is: + + A2 = K [1- exp(-L1*t) * L2/(L2-L1) + exp(-L2*t) * L1/(L2-L1)] + + where K is the parent saturation activity. + + """ + def __init__(self, **kw): + self.__dict__ = kw + def __repr__(self): + return f"ActivationResult({self.isotope},{self.reaction},{self.daughter})" + def __str__(self): + return f"{self.isotope}={self.reaction}=>{self.daughter}" + def init(table, reload=False): """ Add neutron activation levels to each isotope. @@ -651,15 +984,6 @@ def init(table, reload=False): for (Z, A), daughters in activations.items(): table[Z][A].neutron_activation = tuple(daughters) -class ActivationResult(object): - def __init__(self, **kw): - self.__dict__ = kw - def __repr__(self): - return f"ActivationResult({self.isotope},{self.reaction},{self.daughter})" - def __str__(self): - return f"{self.isotope}={self.reaction}=>{self.daughter}" - - def demo(): # pragma: nocover import sys import argparse diff --git a/test/test_activation.py b/test/test_activation.py index 77b8a6e..9d30f0d 100644 --- a/test/test_activation.py +++ b/test/test_activation.py @@ -72,7 +72,8 @@ def _get_Au_activity(fluence=1e5): "Co-61": [1.36478223029061e-09, 8.96645839472098e-10, 5.70749106813738e-14], } #print(list(sample.activity.keys())) - #print(dir(list(sample.activity.keys())[0])) + print(" ".join(k for k in dir(list(sample.activity.keys())[0]) if k[0] != '_')) + print(list(sample.activity.keys())[0].__dict__) for product, activity in sample.activity.items(): #print(product) #print(dir(product)) @@ -100,7 +101,7 @@ def _get_Au_activity(fluence=1e5): assert abs(total - target) < 1e-10, f"total activity {total} != {target}" # Al and Si daughters have short half-lives - sample = Sample('AlSi', mass=1e13) + sample = Sample('AlSi', mass=1e3) env = ActivationEnvironment(fluence=1e8) sample.calculate_activation(env, rest_times=[100,200]) #sample.show_table(cutoff=0) @@ -111,5 +112,21 @@ def _get_Au_activity(fluence=1e5): total = sum(v[-1] for v in sample.activity.values()) assert abs(total - target) < 1e-10, f"total activity {total} != {target}" + if 0: # TODO: doesn't work for high fluence + # Test high fluence + sample = Sample('Al2O3', mass=1e3) + flow, scale = 1e16, 1e2 + rest_times = [0, 10] + env = ActivationEnvironment(fluence=flow*scale) + sample.calculate_activation(env, rest_times=rest_times) + sample.show_table(cutoff=0) + ahigh = list(sample.activity.values()) + env = ActivationEnvironment(fluence=flow) + sample.calculate_activation(env, rest_times=rest_times) + sample.show_table(cutoff=0) + alow = np.asarray(list(sample.activity.values())) + for alow_k, ahigh_k in zip(alow, ahigh): + #print(f"{alow_k=} {ahigh_k=}") + assert np.allclose(alow_k*scale, ahigh_k), f"scaling fails at {t=} {alow_k=} {ahigh_k=}" test() From b689b8b6b2313d5557316fe5b1476aae782f58f8 Mon Sep 17 00:00:00 2001 From: Alexandre Detiste Date: Wed, 27 Nov 2024 22:15:48 +0100 Subject: [PATCH 66/76] drop Python2 crumbs 1/2 --- periodictable/activation.py | 2 -- periodictable/core.py | 1 - periodictable/formulas.py | 1 - 3 files changed, 4 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index 9bf130c..bfecddc 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -222,8 +222,6 @@ # 58Ni (n,alpha) -from __future__ import division, print_function - from math import exp, log, expm1 import os diff --git a/periodictable/core.py b/periodictable/core.py index 8294294..09d3d28 100644 --- a/periodictable/core.py +++ b/periodictable/core.py @@ -55,7 +55,6 @@ periodic table with custom values for the attributes. """ -from __future__ import print_function __docformat__ = 'restructuredtext en' __all__ = ['delayed_load', 'define_elements', 'get_data_path', diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 75e07d0..7209dda 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -3,7 +3,6 @@ """ Chemical formula parser. """ -from __future__ import division, print_function from copy import copy from math import pi, sqrt From 91af03a41d91679249c2467307b72d9e14234fb3 Mon Sep 17 00:00:00 2001 From: Alexandre Detiste Date: Wed, 27 Nov 2024 22:21:40 +0100 Subject: [PATCH 67/76] remove more Python2 syntax --- periodictable/activation.py | 6 +++--- periodictable/core.py | 10 +++++----- periodictable/cromermann.py | 2 +- periodictable/fasta.py | 2 +- periodictable/formulas.py | 2 +- periodictable/magnetic_ff.py | 2 +- periodictable/nsf.py | 2 +- periodictable/xsf.py | 2 +- 8 files changed, 14 insertions(+), 14 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index bfecddc..7d698e2 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -251,7 +251,7 @@ def IAEA1987_isotopic_abundance(iso): except AttributeError: return 0 -class Sample(object): +class Sample: """ Sample properties. @@ -452,7 +452,7 @@ def sorted_activity(activity_pair): return sorted(activity_pair, key=lambda x: (x[0].isotope, x[0].daughter)) -class ActivationEnvironment(object): +class ActivationEnvironment: """ Neutron activation environment. @@ -745,7 +745,7 @@ def activity(isotope, mass, env, exposure, rest_times): return result -class ActivationResult(object): +class ActivationResult: r""" *isotope* : diff --git a/periodictable/core.py b/periodictable/core.py index 09d3d28..84f5675 100644 --- a/periodictable/core.py +++ b/periodictable/core.py @@ -151,7 +151,7 @@ def setfn(el, value): setattr(Ion, p, prop) # Define the element names from the element table. -class PeriodicTable(object): +class PeriodicTable: """ Defines the periodic table of the elements with isotopes. Individidual elements are accessed by name, symbol or atomic number. @@ -411,7 +411,7 @@ def list(self, *props, **kw): # print "format", format, "args", L # raise -class IonSet(object): +class IonSet: def __init__(self, element_or_isotope): self.element_or_isotope = element_or_isotope self.ionset = {} @@ -424,7 +424,7 @@ def __getitem__(self, charge): self.ionset[charge] = Ion(self.element_or_isotope, charge) return self.ionset[charge] -class Ion(object): +class Ion: """ Periodic table entry for an individual ion. @@ -459,7 +459,7 @@ def __reduce__(self): self.element.number, self.charge) -class Isotope(object): +class Isotope: """ Periodic table entry for an individual isotope. @@ -487,7 +487,7 @@ def __reduce__(self): self.element.number, self.isotope) -class Element(object): +class Element: """ Periodic table entry for an element. diff --git a/periodictable/cromermann.py b/periodictable/cromermann.py index 6b575ae..ea18a8d 100644 --- a/periodictable/cromermann.py +++ b/periodictable/cromermann.py @@ -110,7 +110,7 @@ def fxrayatstol(symbol, stol, charge=None): return rv -class CromerMannFormula(object): +class CromerMannFormula: """ Cromer-Mann formula for x-ray scattering factors. Coefficient storage and evaluation. diff --git a/periodictable/fasta.py b/periodictable/fasta.py index 8b4372b..7110d0e 100644 --- a/periodictable/fasta.py +++ b/periodictable/fasta.py @@ -98,7 +98,7 @@ def isotope_substitution(formula, source, target, portion=1): return formula.replace(source, target, portion=portion) # TODO: allow Molecule to be used as compound in formulas.formula() -class Molecule(object): +class Molecule: """ Specify a biomolecule by name, chemical formula, cell volume and charge. diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 7209dda..31ad42e 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -305,7 +305,7 @@ def formula(compound=None, density=None, natural_density=None, return Formula(structure=structure, name=name, density=density, natural_density=natural_density) -class Formula(object): +class Formula: """ Simple chemical formula representation. diff --git a/periodictable/magnetic_ff.py b/periodictable/magnetic_ff.py index c9bbb63..eb4acff 100644 --- a/periodictable/magnetic_ff.py +++ b/periodictable/magnetic_ff.py @@ -34,7 +34,7 @@ def formfactor_n(jn, q): return s_sq * (A * exp(-a*s_sq) + B * exp(-b*s_sq) + C * exp(-c*s_sq) + D) -class MagneticFormFactor(object): +class MagneticFormFactor: """ Magnetic form factor for the ion. diff --git a/periodictable/nsf.py b/periodictable/nsf.py index a0d2558..87f404e 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -327,7 +327,7 @@ def _CHECK_scattering_potential(sld): return (ENERGY_FACTOR/pi) * asarray(sld) _4PI_100 = 4*np.pi/100 -class Neutron(object): +class Neutron: r""" Neutron scattering factors are attached to each element in the periodic table for which values are available. If no information is available, diff --git a/periodictable/xsf.py b/periodictable/xsf.py index eb52b92..eae2591 100644 --- a/periodictable/xsf.py +++ b/periodictable/xsf.py @@ -243,7 +243,7 @@ def xray_energy(wavelength): """ return planck_constant/electron_volt*speed_of_light/np.asarray(wavelength)*1e7 -class Xray(object): +class Xray: """ X-ray scattering properties for the elements. Refer help(periodictable.xsf) from command prompt for details. From a7e11f851fcb14d558abb59504774c6529e8047f Mon Sep 17 00:00:00 2001 From: Alexandre Detiste Date: Wed, 27 Nov 2024 22:27:07 +0100 Subject: [PATCH 68/76] replace custom @require_keywords decorator with modern syntax --- periodictable/formulas.py | 8 ++--- periodictable/nsf.py | 11 +++--- periodictable/util.py | 71 --------------------------------------- periodictable/xsf.py | 16 +++------ 4 files changed, 12 insertions(+), 94 deletions(-) diff --git a/periodictable/formulas.py b/periodictable/formulas.py index 31ad42e..5940f2b 100644 --- a/periodictable/formulas.py +++ b/periodictable/formulas.py @@ -14,7 +14,7 @@ from .core import default_table, isatom, isisotope, ision, change_table from .constants import avogadro_number -from .util import require_keywords, cell_volume +from .util import cell_volume PACKING_FACTORS = dict(cubic=pi/6, bcc=pi*sqrt(3)/8, hcp=pi/sqrt(18), fcc=pi/sqrt(18), diamond=pi*sqrt(3)/16) @@ -518,8 +518,7 @@ def volume(self, *args, **kw): packing_factor = PACKING_FACTORS[packing_factor.lower()] return V/packing_factor*1e-24 - @require_keywords - def neutron_sld(self, wavelength=None, energy=None): + def neutron_sld(self, *, wavelength=None, energy=None): """ Neutron scattering information for the molecule. @@ -543,8 +542,7 @@ def neutron_sld(self, wavelength=None, energy=None): return neutron_sld(self.atoms, density=self.density, wavelength=wavelength, energy=energy) - @require_keywords - def xray_sld(self, energy=None, wavelength=None): + def xray_sld(self, *, energy=None, wavelength=None): """ X-ray scattering length density for the molecule. diff --git a/periodictable/nsf.py b/periodictable/nsf.py index 87f404e..63abfe1 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -188,7 +188,7 @@ from .core import Element, Isotope, default_table from .constants import (avogadro_number, planck_constant, electron_volt, neutron_mass, atomic_mass_constant) -from .util import require_keywords, parse_uncertainty +from .util import parse_uncertainty __all__ = ['init', 'Neutron', 'neutron_energy', 'neutron_wavelength', @@ -483,8 +483,7 @@ def scattering_by_wavelength(self, wavelength): sigma_s = _4PI_100*abs(b_c)**2 # 1 barn = 1 fm^2 1e-2 barn/fm^2 return b_c, sigma_s - @require_keywords - def sld(self, wavelength=ABSORPTION_WAVELENGTH): + def sld(self, *, wavelength=ABSORPTION_WAVELENGTH): r""" Returns scattering length density for the element at natural abundance and density. @@ -505,8 +504,7 @@ def sld(self, wavelength=ABSORPTION_WAVELENGTH): return None, None, None return self.scattering(wavelength=wavelength)[0] - @require_keywords - def scattering(self, wavelength=ABSORPTION_WAVELENGTH): + def scattering(self, *, wavelength=ABSORPTION_WAVELENGTH): r""" Returns neutron scattering information for the element at natural abundance and density. @@ -650,8 +648,7 @@ def init(table, reload=False): # TODO: split incoherent into spin and isotope incoherence (eq 17-19 of Sears) # TODO: require parsed compound rather than including formula() keywords in api # Note: docs and function prototype are reproduced in __init__ -@require_keywords -def neutron_scattering(compound, density=None, +def neutron_scattering(compound, *, density=None, wavelength=None, energy=None, natural_density=None, table=None): r""" diff --git a/periodictable/util.py b/periodictable/util.py index 2f9c25e..e729547 100644 --- a/periodictable/util.py +++ b/periodictable/util.py @@ -91,74 +91,3 @@ def cell_volume(a=None, b=None, c=None, alpha=None, beta=None, gamma=None): cgamma = cos(radians(gamma)) if gamma is not None else calpha V = a*b*c*sqrt(1 - calpha**2 - cbeta**2 - cgamma**2 + 2*calpha*cbeta*cgamma) return V - -def require_keywords(function): - r""" - Decorator which forces all keyword arguments to the function to be - explicitly named. - - For example: - - >>> @require_keywords - ... def fn(a, b, c=3): pass - >>> fn(1, 2, 3) - Traceback (most recent call last): - ... - TypeError: name=value required for c - >>> fn(1, 2, c=6) - >>> fn(b=1, a=2, c=6) - - Variable arguments are not currently supported: - - >>> @require_keywords - ... def fn(a, b, c=6, *args, **kw): pass - Traceback (most recent call last): - ... - NotImplementedError: only named arguments for now - - .. Note:: The call signature is not preserved. - - We can't preserve the function signature for the call since the only - way we can count the number of non-keyword arguments is to - use the \*args, \*\*kw call style. Python 3+ provides the '\*' call - signature element which will force all keywords after '\*' to be named. - """ - import functools - try: - from inspect import signature - getargspec = _getargspec_from_signature - except ImportError: # CRUFT: py 2.7 support - from inspect import getargspec - - args, vararg, varkwd, defaults = getargspec(function) - if defaults is None: - defaults = [] - named_args = args[:-len(defaults)] - named_kwds = args[-len(defaults):] - # Keep it simple for now - if vararg or varkwd: - raise NotImplementedError("only named arguments for now") - @functools.wraps(function) - def _require_kwds(*args, **kw): - if len(args) > len(named_args): - raise TypeError("name=value required for "+", ".join(named_kwds)) - return function(*args, **kw) - return _require_kwds - -def _getargspec_from_signature(function): - """ - Reproduce getargspec() interface using newer signature protocol - """ - from inspect import signature - - args, vararg, varkwd, defaults = [], None, None, [] - sig = signature(function) - for p in sig.parameters.values(): - args.append(p.name) - if p.default is not p.empty: - defaults.append(p.default) - if p.kind is p.VAR_POSITIONAL: - vararg = p.name - elif p.kind is p.VAR_KEYWORD: - varkwd = p.name - return args, vararg, varkwd, defaults diff --git a/periodictable/xsf.py b/periodictable/xsf.py index eae2591..a1a5950 100644 --- a/periodictable/xsf.py +++ b/periodictable/xsf.py @@ -193,7 +193,6 @@ from .constants import ( avogadro_number, planck_constant, speed_of_light, electron_volt, electron_radius) -from .util import require_keywords def xray_wavelength(energy): r""" @@ -271,8 +270,7 @@ def _gettable(self): return self._table sftable = property(_gettable, doc="X-ray scattering factor table (E,f1,f2)") - @require_keywords - def scattering_factors(self, energy=None, wavelength=None): + def scattering_factors(self, *, energy=None, wavelength=None): """ X-ray scattering factors f', f''. @@ -337,8 +335,7 @@ def f0(self, Q): charge=self.element.charge) return f - @require_keywords - def sld(self, wavelength=None, energy=None): + def sld(self, *, wavelength=None, energy=None): r""" X ray scattering length density. @@ -382,8 +379,7 @@ def sld(self, wavelength=None, energy=None): return rho, irho # Note: docs and function prototype are reproduced in __init__ -@require_keywords -def xray_sld(compound, density=None, natural_density=None, +def xray_sld(compound, *, density=None, natural_density=None, wavelength=None, energy=None): """ Compute xray scattering length densities for molecules. @@ -435,8 +431,7 @@ def xray_sld(compound, density=None, natural_density=None, return rho, irho -@require_keywords -def index_of_refraction(compound, density=None, natural_density=None, +def index_of_refraction(compound, *, density=None, natural_density=None, energy=None, wavelength=None): """ Calculates the index of refraction for a given compound @@ -470,8 +465,7 @@ def index_of_refraction(compound, density=None, natural_density=None, wavelength=wavelength) return 1 - wavelength**2/(2*pi)*(f1 + f2*1j)*1e-6 -@require_keywords -def mirror_reflectivity(compound, density=None, natural_density=None, +def mirror_reflectivity(compound, *, density=None, natural_density=None, energy=None, wavelength=None, angle=None, roughness=0): """ From bc62c71e0ff3ef16a183153f03cdcd8e71454ef5 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 3 Dec 2024 10:44:42 -0500 Subject: [PATCH 69/76] Fix repo url in project description --- pyproject.toml | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/pyproject.toml b/pyproject.toml index 178a835..c42abf5 100644 --- a/pyproject.toml +++ b/pyproject.toml @@ -35,7 +35,7 @@ [project.urls] documentation = "https://periodictable.readthedocs.io" - repository = "hhttps://github.com/pkienzle/periodictable" + repository = "https://github.com/pkienzle/periodictable" [build-system] requires = ["setuptools", "wheel"] From ea60e46e5d3272b455b1a592a8d2762dfea6999b Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 3 Dec 2024 10:49:41 -0500 Subject: [PATCH 70/76] improve internal docs for activation calculation --- periodictable/activation.py | 58 ++++++++++++++++++++++--------------- test/test_activation.py | 8 +++-- 2 files changed, 39 insertions(+), 27 deletions(-) diff --git a/periodictable/activation.py b/periodictable/activation.py index 9bf130c..701f2da 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -636,17 +636,17 @@ def activity(isotope, mass, env, exposure, rest_times): # ai.daughter # Column G: Half-life # ai.Thalf_str - # Column H: initial effective cross-section (b) + # Column H: initial effective cross-section [barn] # env.epithermal_reduction_factor:$Q$1 = 1/env.Cd_ratio:$F$15 initialXS = ai.thermalXS + env.epithermal_reduction_factor*ai.resonance # Column I: reaction # ai.reaction # Column J: fast? # ai.fast - # Column K: effective reaction flux (n/cm^2/s) + # Column K: effective reaction flux [n/cm^2/s] # env.fluence:$F$13 env.fast_ratio:$F$17 flux = env.fluence/env.fast_ratio if ai.fast else env.fluence - # Column L: root part of activation calculation + # Column L: root part of activation calculation [uCi] # mass:$F$19 # Decay correction portion done in column M # The given mass is sample mass * sample fraction * isotope abundance @@ -654,17 +654,22 @@ def activity(isotope, mass, env, exposure, rest_times): # N_A[atoms] / 3.7e10[Bq/Ci] * 1e6 [uCi/Ci] ~ 1.627605611e19 Bq_to_uCi = 1.6276e19 #Bq_to_uCi = constants.avogadro_number / 3.7e4 - root = flux * initialXS * 1e-24 * mass / isotope.isotope * Bq_to_uCi - # Column M: 0.69/t1/2 (1/h) lambda of produced nuclide + # 1/(cm^2 s) (Bq s) (barn cm^2/barn) g / (g/mol) ((1/mol) / (Bq/uCi)) + # TODO: use isotope.mass rather than isotope.isotope + # Using isotope number rather than isotope mass to estimate the number + # atoms introduces some error, overestimating Li activation by 0.25% + # and underestimating Fe activation by 0.11% + root = flux * (initialXS * 1e-24) * mass / isotope.isotope * Bq_to_uCi + # Column M: 0.69/t1/2 [1/h] lambda of produced nuclide lam = LN2/ai.Thalf_hrs #print(ai.thermalXS, ai.resonance, env.epithermal_reduction_factor) #print(isotope, "D", mass, "F", ai.daughter, "G", ai.Thalf_str, # "H", initialXS, "I", ai.reaction, "J", ai.fast, "K", flux, # "L", root, "M", lam) - # Column Y: activity at the end of irradiation (uCi) + # Column Y: activity at the end of irradiation [uCi] if ai.reaction == 'b': - # Column N: 0.69/t1/2 (1/h) lambda of parent nuclide + # Column N: 0.69/t1/2 [1/h] lambda of parent nuclide parent_lam = LN2 / ai.Thalf_parent # Column O: Activation if "b" mode production # 2022-05-18 PAK: addressed the following @@ -686,16 +691,16 @@ def activity(isotope, mass, env, exposure, rest_times): lam*expm1(-parent_lam*exposure) - parent_lam*expm1(-lam*exposure)) #print("N", parent_lam, "O", activity) elif ai.reaction == '2n': - # Column N: 0.69/t1/2 (1/h) lambda of parent nuclide + # Column N: 0.69/t1/2 [1/h] lambda of parent nuclide parent_lam = LN2 / ai.Thalf_parent - # Column P: effective cross-section 2n product and n, g burnup (b) + # Column P: effective cross-section 2n product and n, g burnup [barn] # Note: This cross-section always uses the total thermal flux effectiveXS = ai.thermalXS_parent + env.epithermal_reduction_factor*ai.resonance_parent - # Column Q: 2n mode effective lambda of stable target (1/h) - lam_2n = flux*initialXS*1e-24*3600 - # Column R: radioactive parent (1/h) - parent_activity = env.fluence*1e-24*3600*effectiveXS+parent_lam - # Column S: resulting product (1/h) + # Column Q: 2n mode effective lambda of stable target [1/h] + lam_2n = (flux*3600)*(initialXS*1e-24) + # Column R: radioactive parent [1/h] + parent_activity = (env.fluence*3600)*(effectiveXS*1e-24) + parent_lam + # Column S: resulting product [1/h] product_2n = lam if ai.reaction == '2n' else 0 # Column T: activity if 2n mode activity = root*lam*(parent_activity-parent_lam)*( @@ -716,20 +721,22 @@ def activity(isotope, mass, env, exposure, rest_times): # reactions (excluding 'b') is included here. # See README file for details. - # Column P: effective cross-section 2n product and n, g burnup (b) + # Column P: effective cross-section 2n product and n, g burnup [barn] # Note: This cross-section always uses the total thermal flux effectiveXS = ai.thermalXS_parent + env.epithermal_reduction_factor*ai.resonance_parent - # Column U: nv1s1t - U = flux*initialXS*3600*1e-24*exposure - # Column V: nv2s2t+L2*t - V = (env.fluence*effectiveXS*3600*1e-24+lam)*exposure - # Column W: L/(L-nvs1+nvs2) - W = lam/(lam-flux*initialXS*3600*1e-24+env.fluence*effectiveXS*3600*1e-24) + # Column U: nv1s1t [neutrons] + U = (flux*3600)*(initialXS*1e-24)*exposure + # Column V: nv2s2t+L2*t [neutrons] + V = ((env.fluence*3600)*(effectiveXS*1e-24)+lam)*exposure + # Column W: L/(L-nvs1+nvs2) [unitless] + W = lam/(lam-(flux*3600)*(initialXS*1e-24)+(env.fluence*3600)*(effectiveXS*1e-24)) # Column X: W*(exp(-U)-exp(V)) if U,V > 1e-10 else W*(V-U+(V-U)*(V+U)/2) # [PAK 2024-02-28] Rewrite the exponential difference using expm1() + #Xp = exp(-V)*expm1(V-U) if U>V else -exp(-U)*expm1(U-V) X = W*exp(-V)*expm1(V-U) if U>V else -W*exp(-U)*expm1(U-V) # Column Y: O if "b" else T if "2n" else L*X activity = root*X + #print(f"{ai.isotope}=>{ai.daughter} {U=} {V=} {W=} {Xp=} {X=} {activity=} {lam=} {flux*initialXS*3600*1e-24+env.fluence*effectiveXS*3600*1e-24}") #print(f"{ai.isotope}=>{ai.daughter} {U=} {V=} {W=} {X=} {activity=}") if activity < 0: @@ -742,6 +749,7 @@ def activity(isotope, mass, env, exposure, rest_times): #data = env.fluence, initialXS, flux, root, U, V, W, precision_correction #print(" ".join("%.5e"%v for v in data)) + # TODO: chained activity (e.g., ) result[ai] = [activity*exp(-lam*Ti) for Ti in rest_times] #print([(Ti, Ai) for Ti, Ai in zip(rest_times, result[ai])]) @@ -828,7 +836,7 @@ class ActivationResult(object): fluence is reduced by the specified fast/thermal ratio. When *fast_ratio* is zero in the environment this activation will not appear. - *thermalXS*, *resonance*, *thermalXS_parent*, *resonance_parent* : + *thermalXS*, *resonance*, *thermalXS_parent*, *resonance_parent* : float | barns Activation database values for computing the reaction cross section. @@ -864,11 +872,13 @@ class ActivationResult(object): user to determine, but are usually negligible for irradiations that are long relative to the parent halflife: - A1 = K [1-exp(-L1*t)] where A1 is activity, L1 is decay constant + A1 = K [1 - exp(-L1*t)] + + where A1 is activity, L1 is decay constant For the beta produced daughter the activity (A2) is: - A2 = K [1- exp(-L1*t) * L2/(L2-L1) + exp(-L2*t) * L1/(L2-L1)] + A2 = K [1 - exp(-L1*t) * L2/(L2-L1) + exp(-L2*t) * L1/(L2-L1)] where K is the parent saturation activity. diff --git a/test/test_activation.py b/test/test_activation.py index 9d30f0d..7e2bba6 100644 --- a/test/test_activation.py +++ b/test/test_activation.py @@ -72,8 +72,8 @@ def _get_Au_activity(fluence=1e5): "Co-61": [1.36478223029061e-09, 8.96645839472098e-10, 5.70749106813738e-14], } #print(list(sample.activity.keys())) - print(" ".join(k for k in dir(list(sample.activity.keys())[0]) if k[0] != '_')) - print(list(sample.activity.keys())[0].__dict__) + #print(" ".join(k for k in dir(list(sample.activity.keys())[0]) if k[0] != '_')) + #print(list(sample.activity.keys())[0].__dict__) for product, activity in sample.activity.items(): #print(product) #print(dir(product)) @@ -112,9 +112,11 @@ def _get_Au_activity(fluence=1e5): total = sum(v[-1] for v in sample.activity.values()) assert abs(total - target) < 1e-10, f"total activity {total} != {target}" + #print() if 0: # TODO: doesn't work for high fluence # Test high fluence sample = Sample('Al2O3', mass=1e3) + sample = Sample('Al', mass=1e3) flow, scale = 1e16, 1e2 rest_times = [0, 10] env = ActivationEnvironment(fluence=flow*scale) @@ -127,6 +129,6 @@ def _get_Au_activity(fluence=1e5): alow = np.asarray(list(sample.activity.values())) for alow_k, ahigh_k in zip(alow, ahigh): #print(f"{alow_k=} {ahigh_k=}") - assert np.allclose(alow_k*scale, ahigh_k), f"scaling fails at {t=} {alow_k=} {ahigh_k=}" + assert np.allclose(alow_k*scale, ahigh_k), f"scaling fails at {alow_k=} {ahigh_k=}" test() From fd6f3c15bc83532b1a59cf547334eaebd7c3d8df Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 3 Dec 2024 10:50:49 -0500 Subject: [PATCH 71/76] and note to refactor fasta imports --- periodictable/fasta.py | 6 ++++-- 1 file changed, 4 insertions(+), 2 deletions(-) diff --git a/periodictable/fasta.py b/periodictable/fasta.py index 8b4372b..4657c71 100644 --- a/periodictable/fasta.py +++ b/periodictable/fasta.py @@ -69,8 +69,6 @@ [5] Arrighi, F.E., Mandel, M., Bergendahl, J. et al. (1970). Buoyant densities of DNA of mammals. Biochem Genet 4, 367–376. https://doi.org/10.1007/BF00485753 """ -from __future__ import division - import warnings from .formulas import formula as parse_formula @@ -344,6 +342,10 @@ def _set_amino_acid_average(target, codes, name=None): molecule = Molecule(name, formula, cell_volume=cell_volume, charge=charge) AMINO_ACID_CODES[target] = molecule +# TODO: importing fasta does work, computing the neutron SLD for each molecule. +# This triggers nsf.init() which defines the neutron data for each isotope. +# Further, this does not allow private tables for fasta calculations. + # FASTA code table def _(code, V, formula, name): if formula[-1] == '-': From 4ffc725da227aa4b7a0f9c1bc6f67a21ffd33500 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 3 Dec 2024 10:52:25 -0500 Subject: [PATCH 72/76] revert delayed loading restructuring; attributes need doc strings. --- doc/sphinx/discoverer/__init__.py | 4 +- .../discoverer/{core.py => discoverer.py} | 0 doc/sphinx/guide/extending.rst | 8 +- doc/sphinx/shelltable/__init__.py | 8 +- .../shelltable/{core.py => shelltable.py} | 0 periodictable/__init__.py | 114 +++++++++++++----- periodictable/core.py | 7 +- 7 files changed, 96 insertions(+), 45 deletions(-) rename doc/sphinx/discoverer/{core.py => discoverer.py} (100%) rename doc/sphinx/shelltable/{core.py => shelltable.py} (100%) diff --git a/doc/sphinx/discoverer/__init__.py b/doc/sphinx/discoverer/__init__.py index ea5f0bb..a4e5daf 100644 --- a/doc/sphinx/discoverer/__init__.py +++ b/doc/sphinx/discoverer/__init__.py @@ -5,6 +5,6 @@ def _load_discoverer(): """ The name of the person or group who discovered the element. """ - from . import core - core.init(periodictable.core.default_table()) + from . import discoverer + discoverer.init(periodictable.core.default_table()) periodictable.core.delayed_load(['discoverer'], _load_discoverer) diff --git a/doc/sphinx/discoverer/core.py b/doc/sphinx/discoverer/discoverer.py similarity index 100% rename from doc/sphinx/discoverer/core.py rename to doc/sphinx/discoverer/discoverer.py diff --git a/doc/sphinx/guide/extending.rst b/doc/sphinx/guide/extending.rst index 9922479..f186ea0 100644 --- a/doc/sphinx/guide/extending.rst +++ b/doc/sphinx/guide/extending.rst @@ -15,9 +15,9 @@ available on demand. This is done with the function ``init(table)`` in your table extension. This example adds the attribute ``discoverer`` to each element. First -create the file ``discoverer/core.py``: +create the file ``discoverer/discoverer.py``: -.. literalinclude:: /discoverer/core.py +.. literalinclude:: /discoverer/discoverer.py :language: python Now that we have defined the ``init(table)`` function, we need a way to call it. @@ -57,9 +57,9 @@ each element. The following example uses a dictionary of elements, with a dictionary of isotopes for each. It adds the ``shells`` attribute to Fe[56] and Fe[58]. -Define ``shelltable/core.py``: +Define ``shelltable/shelltable.py``: -.. literalinclude:: /shelltable/core.py +.. literalinclude:: /shelltable/shelltable.py :language: python Again, we are going to initialize the table with delayed loading. diff --git a/doc/sphinx/shelltable/__init__.py b/doc/sphinx/shelltable/__init__.py index 55c9e9a..eabfb21 100644 --- a/doc/sphinx/shelltable/__init__.py +++ b/doc/sphinx/shelltable/__init__.py @@ -5,7 +5,7 @@ def _load(): """ The name of the person or group who discovered the element. """ - from . import core - core.init(periodictable.core.default_table()) -periodictable.core.delayed_load(['shells'], _load, - isotope=True, element=False) + from . import shelltable + shelltable.init(periodictable.core.default_table()) +periodictable.core.delayed_load( + ['shells'], _load, isotope=True, element=False) diff --git a/doc/sphinx/shelltable/core.py b/doc/sphinx/shelltable/shelltable.py similarity index 100% rename from doc/sphinx/shelltable/core.py rename to doc/sphinx/shelltable/shelltable.py diff --git a/periodictable/__init__.py b/periodictable/__init__.py index aac9711..564175f 100644 --- a/periodictable/__init__.py +++ b/periodictable/__init__.py @@ -36,14 +36,7 @@ from . import mass from . import density -_LAZY_MODULES = [ - 'activation', - 'covalent_radius', - 'crystal_structure', - 'nsf', - 'xsf', - 'magnetic_ff', - ] +_LAZY_MODULES = [] _LAZY_LOAD = { 'formula': 'formulas', 'mix_by_weight': 'formulas', @@ -88,29 +81,87 @@ def __dir__(): __all__ += core.define_elements(elements, globals()) # Lazy loading of element and isotope attributes, e.g., Ni.covalent_radius -core.delayed_load( - ['covalent_radius', 'covalent_radius_units', 'covalent_radius_uncertainty'], - lambda: covalent_radius.init(elements)) -core.delayed_load( - ['crystal_structure'], - lambda: crystal_structure.init(elements)) -core.delayed_load( - ['neutron'], - lambda: nsf.init(elements), isotope=True) -core.delayed_load( - ['neutron_activation'], - lambda: activation.init(elements), - element=False, isotope=True) -core.delayed_load( - ['xray'], - lambda: xsf.init(elements), - ion=True) -core.delayed_load( - ['K_alpha', 'K_beta1', 'K_alpha_units', 'K_beta1_units'], - lambda: xsf.init_spectral_lines(elements)) -core.delayed_load( - ['magnetic_ff'], - lambda: magnetic_ff.init(elements)) +def _load_covalent_radius(): + """ + covalent radius: average atomic radius when bonded to C, N or O. + """ + from . import covalent_radius + covalent_radius.init(elements) +core.delayed_load(['covalent_radius', + 'covalent_radius_units', + 'covalent_radius_uncertainty'], + _load_covalent_radius) + +def _load_crystal_structure(): + """ + Add crystal_structure property to the elements. + + Reference: + *Ashcroft and Mermin.* + """ + from . import crystal_structure + crystal_structure.init(elements) +core.delayed_load(['crystal_structure'], _load_crystal_structure) + +def _load_neutron(): + """ + Neutron scattering factors, *nuclear_spin* and *abundance* + properties for elements and isotopes. + + Reference: + *Rauch. H. and Waschkowski. W., ILL Nuetron Data Booklet.* + """ + from . import nsf + nsf.init(elements) +core.delayed_load(['neutron'], _load_neutron, isotope=True) + +def _load_neutron_activation(): + """ + Neutron activation calculations for isotopes and formulas. + + Reference: + *IAEA 273: Handbook on Nuclear Activation Data.* + *NBSIR 85-3151: Compendium of Benchmark Neutron Field.* + """ + from . import activation + activation.init(elements) +core.delayed_load(['neutron_activation'], _load_neutron_activation, + element=False, isotope=True) + +def _load_xray(): + """ + X-ray scattering properties for the elements. + + Reference: + *Center for X-Ray optics. Henke. L., Gullikson. E. M., and Davis. J. C.* + """ + from . import xsf + xsf.init(elements) +core.delayed_load(['xray'], _load_xray, ion=True) + +def _load_emission_lines(): + """ + X-ray emission lines for various elements, including Ag, Pd, Rh, Mo, + Zn, Cu, Ni, Co, Fe, Mn, Cr and Ti. *K_alpha* is the average of + K_alpha1 and K_alpha2 lines. + """ + from . import xsf + xsf.init_spectral_lines(elements) +core.delayed_load(['K_alpha', 'K_beta1', 'K_alpha_units', 'K_beta1_units'], + _load_emission_lines) + +def _load_magnetic_ff(): + """ + Magnetic Form Fators. These values are directly from CrysFML. + + Reference: + *Brown. P. J.(Section 4.4.5) + International Tables for Crystallography Volume C, Wilson. A.J.C.(ed).* + """ + from . import magnetic_ff + magnetic_ff.init(elements) +core.delayed_load(['magnetic_ff'], _load_magnetic_ff) + # Data needed for setup.py when bundling the package into an exe def data_files(): @@ -119,7 +170,6 @@ def data_files(): The format is a list of (directory, [files...]) pairs which can be used directly in setup(..., data_files=...) for setup.py. - """ import os import glob diff --git a/periodictable/core.py b/periodictable/core.py index 8294294..a21f3a1 100644 --- a/periodictable/core.py +++ b/periodictable/core.py @@ -136,19 +136,20 @@ def setfn(el, value): setattr(el, propname, value) return setfn + doc = loader.__doc__ if element: for p in all_props: - prop = property(getter(p), setter(p), doc=loader.__doc__) + prop = property(getter(p), setter(p), doc=doc) setattr(Element, p, prop) if isotope: for p in all_props: - prop = property(getter(p), setter(p), doc=loader.__doc__) + prop = property(getter(p), setter(p), doc=doc) setattr(Isotope, p, prop) if ion: for p in all_props: - prop = property(getter(p), setter(p), doc=loader.__doc__) + prop = property(getter(p), setter(p), doc=doc) setattr(Ion, p, prop) # Define the element names from the element table. From 04ba8e01c73fb9d0f2717a98b39eed9d6bedd020 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 3 Dec 2024 11:27:25 -0500 Subject: [PATCH 73/76] Add 191Ir and 193Ir b_c values --- ChangeLog.rst | 2 +- periodictable/nsf.py | 19 +++++++++++++++++-- 2 files changed, 18 insertions(+), 3 deletions(-) diff --git a/ChangeLog.rst b/ChangeLog.rst index 57d34e3..76e7334 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -36,7 +36,7 @@ Modified: as 1e-7 (relative) in Avogadro number, Planck constant, J/eV, electron radius, electron mass, neutron mass and atomic mass constant. * Updated bound coherent scattering length for H-1, H-2, He-4, C-12, - O-16, O-17, O-18, Sn-119, Sm-154, Eu-153, Pb-207, Bi-209 + O-16, O-17, O-18, Sn-119, Sm-154, Eu-153, Ir-191, Ir-193, Pb-207, Bi-209 * Updated total cross section for He, Kr, Xe * Use log-log interpolation for X-ray f'' diff --git a/periodictable/nsf.py b/periodictable/nsf.py index a0d2558..dde8252 100644 --- a/periodictable/nsf.py +++ b/periodictable/nsf.py @@ -113,6 +113,8 @@ 119Sn b_c 6.28(3) => 6.2239(13) [1] 154Sm b_c 8.0(1.0) => 8.97(6) [4] 153Eu b_c 8.22(12) => 8.85(3) [4] + 191Ir b_c => 12.1(9) [6] + 193Ir b_c => 9.71(18) [6] 207Pb b_c 9.286(16) => 9.4024(13) [1] 209Bi b_c 8.532(2) => 8.5242(18) [1] @@ -126,6 +128,7 @@ [3] Haun (2020) 10.1103/PhysRevLett.124.012501 [4] Kohlmann (2016) 10.1515/zkri-2016-1984 [5] Haddock (2019) 10.1103/PhysRevC.100.064002 + [6] Hannon (2018) 10.1107/S1600576718006064 .. [#Rauch2003] Rauch, H. and Waschkowski, W. (2003) Neutron Scattering Lengths in ILL @@ -594,6 +597,18 @@ def init(table, reload=False): b_c_i = -nsf.absorption/(2000*ABSORPTION_WAVELENGTH) nsf.b_c_complex = b_c + 1j*b_c_i + if not np.isnan(b_c): + # Ir-191 and Ir-193 don't list scattering cross sections so deduce + # them from the bound coherent cross section. Since these are both + # odd isotopes there ought to be some incoherent scattering, but + # zero is well within the uncertainty measured in bulk Ir. + if nsf.coherent is None: + nsf.coherent = 4*pi/100*abs(nsf.b_c_complex)**2 + if nsf.incoherent is None: + nsf.incoherent = 0 + if nsf.total is None: + nsf.total = nsf.coherent + nsf.incoherent + parts = columns[0].split('-') Z = int(parts[0]) symbol = parts[1] @@ -1623,8 +1638,8 @@ def sld_plot(table=None): 76-Os-190,26.4,0,11.4(3),,,,15.2(8),0,15.2(8),13.1(3) 76-Os-192,41,0,11.9(4),,,,16.6(1.2),0,16.6(1.2),2.0(1) 77-Ir,,,10.6(3),,,,14.1(8),0.0(3.0),14.0(3.0),425.0(2.0) -77-Ir-191,37.4,3/2,,,,,,,,954.0(10.0) -77-Ir-193,62.6,3/2,,,,,,,,111.0(5.0) +77-Ir-191,37.4,3/2,12.1(9),,,,,,,954.0(10.0) +77-Ir-193,62.6,3/2,9.71(18),,,,,,,111.0(5.0) 78-Pt,,,9.60(1),,,,11.58(2),0.13(11),11.71(11),10.3(3) 78-Pt-190,0.01,0,9.0(1.0),,,,10.0(2.0),0,10.0(2.0),152.0(4.0) 78-Pt-192,1.78,0,9.9(5),,,,12.3(1.2),0,12.3(1.2),10.0(2.5) From 3a1cbf274cefa3797a3241fffca4329a8a5c3a23 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Tue, 3 Dec 2024 15:29:30 -0500 Subject: [PATCH 74/76] Remove -pre tag from version --- ChangeLog.rst | 8 ++++---- periodictable/__init__.py | 2 +- 2 files changed, 5 insertions(+), 5 deletions(-) diff --git a/ChangeLog.rst b/ChangeLog.rst index 76e7334..9f59254 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -17,18 +17,17 @@ Known issues Change history ============== -2.0.0 2024-10-?? +2.0.0 2024-12-03 ---------------- Modified: * Move to IAEA AME2020 for isotope mass -* Move to IUPAC CIAAW 2021 for atomic weight and isotopic abundance +* Move to IUPAC CIAAW 2021 for atomic mass and isotopic abundance * Move old mass/abundance tables into periodictable.mass_2001 * Li-6:Li-7 mass ratio changed from 12.2 to 19.6 (delta = 2.7%) -* Isotope percentage changed by 0.1 to 0.5 for B, Zn, Ge, Se, Mo, Er, Yb, Pt, Hg +* Isotope abundance changed by 0.1 to 0.5 for B, Zn, Ge, Se, Mo, Er, Yb, Pt, Hg * Atomic weight changed by 0.04% for Zn, 0.02% for S and 0.01% for Li, Ge, Se, Mo -* Neutron b_c changed for Zn-70 from 6.9 to 6.0 (fixes a typo in the table) * Fix typos in uncertainties in the neutron table (Zr-90, Te-124, Ba-138, Sm-147) * Use correct activation for Pb-208 which was entered as barns rather than mbarns * Use Aug 2023 update to X-ray scattering factors (Pt, Cr, Nb, Y, Er) @@ -37,6 +36,7 @@ Modified: electron mass, neutron mass and atomic mass constant. * Updated bound coherent scattering length for H-1, H-2, He-4, C-12, O-16, O-17, O-18, Sn-119, Sm-154, Eu-153, Ir-191, Ir-193, Pb-207, Bi-209 +* Neutron b_c changed for Zn-70 from 6.9 to 6.0 (fixes a typo in the table) * Updated total cross section for He, Kr, Xe * Use log-log interpolation for X-ray f'' diff --git a/periodictable/__init__.py b/periodictable/__init__.py index 564175f..8f1177a 100644 --- a/periodictable/__init__.py +++ b/periodictable/__init__.py @@ -26,7 +26,7 @@ """ __docformat__ = 'restructuredtext en' -__version__ = "2.0.0-pre" +__version__ = "2.0.0" __all__ = ['elements'] # Lazy symbols and individual elements added later From 9ed5f541b2c8b0c6317fbb64ccab6073d7eaf5a0 Mon Sep 17 00:00:00 2001 From: bbm Date: Wed, 4 Dec 2024 10:24:13 -0500 Subject: [PATCH 75/76] add trusted publishing to pypi on release --- .github/workflows/test.yml | 19 +++++++++++++++++++ 1 file changed, 19 insertions(+) diff --git a/.github/workflows/test.yml b/.github/workflows/test.yml index 39c29ae..5788f77 100644 --- a/.github/workflows/test.yml +++ b/.github/workflows/test.yml @@ -85,3 +85,22 @@ jobs: run: | cd test pytest -v --pyargs --import-mode=append periodictable . ../doc/sphinx/guide + + # Upload wheel to PyPI only when a tag is pushed, and its name begins with 'v' + upload-to-pypi: + runs-on: ubuntu-latest + environment: release + needs: test + if: startsWith(github.ref, 'refs/tags/v') + permissions: + id-token: write + steps: + + - name: Download wheel + uses: actions/download-artifact@v4 + with: + name: wheel + path: dist + + - name: Publish package distributions to PyPI + uses: pypa/gh-action-pypi-publish@release/v1 \ No newline at end of file From de0b9e7245d783df992f56aaf9f78674d86f8b32 Mon Sep 17 00:00:00 2001 From: Paul Kienzle Date: Thu, 5 Dec 2024 16:53:00 -0500 Subject: [PATCH 76/76] tweak activation docs --- ChangeLog.rst | 12 +++++++++--- periodictable/activation.py | 16 ++++++++-------- 2 files changed, 17 insertions(+), 11 deletions(-) diff --git a/ChangeLog.rst b/ChangeLog.rst index 9f59254..96791d1 100644 --- a/ChangeLog.rst +++ b/ChangeLog.rst @@ -6,14 +6,20 @@ Known issues isotope proportions and density computed in neutron_sld(). This may change in a future release. -* The mass and composition tables are out of date. This package uses tables - from 1997 but IUPAC produced new tables in 2009. - * Incoherent scattering calculations for energy-dependent rare earth elements is underestimated. The calculation requires bound incoherent scattering length (b_i) but only the bound coherent scattering length (b_c) is included. +* For very high fluences, e.g., more than 1E16 n/cm2, the activation + equations give erroneous results because of the precision limitations. + If there is doubt simply do the calculation at a lower flux and + proportion the result. This will not work for the cascade reactions, + i.e., two neutron additions. + +* Post-exposure decay for b reaction daughter nuclides do not include + activity from the decaying parent nuclide. + Change history ============== diff --git a/periodictable/activation.py b/periodictable/activation.py index 701f2da..8d56919 100644 --- a/periodictable/activation.py +++ b/periodictable/activation.py @@ -498,22 +498,22 @@ class ActivationEnvironment(object): For other materials, correct for the thermal:epithermal cross-section ratio. - At the NBSR this ranges from 12 in mid-core, to 200 at RT-4, to - >2000 at a filtered cold neutron guide position. + At the NBSR this ranges from 12 in mid-core, to 200 at RT-4, + to >2000 at a filtered cold neutron guide position. *fast_ratio* : float Thermal/fast ratio needed for fast reactions. Use 0 to suppress fast contribution. - this is very reaction dependent. You in essence need to know the + This is very reaction dependent. You in essence need to know the answer before you do the calculation! That is, this ratio depends upon the shape of the cross-section curve as well as the spectrum shape above the energy threshold of the reaction. But at least you can do 'what-if' calculations with worse case assumptions (in the absence of specific ratios). - the fast cross-sections in this database are weighted for a fast + The fast cross-sections in this database are weighted for a fast maxwellian spectrum so the fast/thermal ratio should be just a fluence correction (i.e., a fluence ratio), not an energy correction. @@ -870,18 +870,18 @@ class ActivationResult(object): daughter is through the end of irradiation. Contributions from the added decay of the parent after the end of irradiation are left for the user to determine, but are usually negligible for irradiations that are - long relative to the parent halflife: + long relative to the parent halflife. + + During irradiation parent activity (A1) is: A1 = K [1 - exp(-L1*t)] - where A1 is activity, L1 is decay constant + where K is the parent saturation activity and L1 is the decay constant. For the beta produced daughter the activity (A2) is: A2 = K [1 - exp(-L1*t) * L2/(L2-L1) + exp(-L2*t) * L1/(L2-L1)] - where K is the parent saturation activity. - """ def __init__(self, **kw): self.__dict__ = kw