Merge pull request #2941 from mccode-dev/2026-10-mirror-curved-fixes

McXtrace Mirror_curved: follow-up to #2936 (miss handling, instrument repairs, new targets)

Author: willend

mcxtrace-comps/examples/MAXIV/MAXIV_Bloch/MAXIV_Bloch.instr

@@ -20,7 +20,7 @@
 * P2 parameters are used when the strain of the beamline is the FOI, i.e what happens when the distances change.
 *
 * %Example: E0=0.03 dE=0 undK=0 Nper=187 zm_mirror1=14 theta_mirror1=3 R0_M1=1 zm_mirror2=2 R0_M2=1  grating_mode=0 zm_mirror3=1 theta_mirror3=3 R0_M3=1 zm_ExitSlit=9 xwidth_ExSlit=0.005 yheight_ExSlit=0.005 zm_mirror4=19 theta_mirror4=3 R0_M4=1 SourceChoice=0 cff=2.25 m=3 Exitslit_yshift=2 Detector: M4Before_e_monitor_I=5.64942e-20
-* %Example: E0=0.6 Detector: M4Before_e_monitor_I=1.80435e-21
+* %Example: E0=0.6 Detector: M4Before_e_monitor_I=2.6528e-21
 *
 * %Parameters:
 * E0: [keV]      The central energy to sample from source model.

mcxtrace-comps/examples/SOLEIL/SOLEIL_CRISTAL/SOLEIL_CRISTAL.instr

@@ -25,7 +25,7 @@
 * modelled; hutch diagnostics such as xbpm, beam imagers and attenuators are
 * omitted for simplicity.
 *
-* %Example: CRISTAL_E0=12 Detector: CRISTAL_detector_diffraction_I=700000.0
+* %Example: CRISTAL_E0=12 Detector: CRISTAL_detector_diffraction_I=6.2037e+05
 *
 * %Parameters
 * CRISTAL_E0:        [keV] Central energy of the beam
@@ -91,7 +91,13 @@ INITIALIZE
         "%s: ERROR: Si(111) can not reflect CRISTAL_E0=%g keV (valid range ~5-30 keV). Aborting.\n",
         NAME_INSTRUMENT, CRISTAL_E0));
 
-    CRISTAL_DCM_theta = asin(sin_theta)*RAD2DEG;
+    CRISTAL_DCM_theta = asin(sin_theta);
+    // refraction shifts the Si(111) reflection above the kinematic Bragg angle by 2*delta/sin(2 theta);
+    // with the narrow source band the DCM would otherwise only pass rays ~20 urad off axis
+    double lambda = 12.398/CRISTAL_E0*1e-10;           // [m]
+    double n_e    = 14*8/(5.4309e-10*5.4309e-10*5.4309e-10); // Si electron density [1/m^3]
+    double delta  = 2.8179403e-15*lambda*lambda*n_e/(2*PI);
+    CRISTAL_DCM_theta = (CRISTAL_DCM_theta + 2*delta/sin(2*CRISTAL_DCM_theta))*RAD2DEG;
   }
 
   MPI_MASTER(

mcxtrace-comps/examples/SOLEIL/SOLEIL_DIFFABS/SOLEIL_DIFFABS.instr

@@ -75,7 +75,7 @@ INITIALIZE
 
   // DCM
   {
-    double DM= 5.4909;     // Si d-spacing
+    double DM= 5.4309;     // Si d-spacing
     double d = DM/sqrt(3); // <111> reflection |<111>|=3
     DIFFABS_dcm_gap  = 0.01;       // gap between the 2 monochromator crystals
 

mcxtrace-comps/examples/SOLEIL/SOLEIL_DISCO/SOLEIL_DISCO.instr

@@ -18,7 +18,7 @@
 *   5306.77,5738.39,6151.91,6565.99,6979.47,7395.13,7786.17,8199.52,
 *   8631.53,9051.46,9483.21,9913.98,10299.5 }
 *
-* %Example: DISCO_grazing_angle_one=22.5 -n 1e5 Detector: DISCO_second_HFP_I=1.445e+16
+* %Example: DISCO_grazing_angle_one=22.5 -n 1e5 Detector: DISCO_second_HFP_I=1.104e+16
 *
 * %Parameters
 * DISCO_grazing_angle_one: [deg] Mirrors M1/M2 rotation angle

mcxtrace-comps/examples/SOLEIL/SOLEIL_GALAXIES/SOLEIL_GALAXIES.instr

@@ -48,7 +48,7 @@
 *   - M2B focus:  75 x 35 um^2 FWHM (H x V), ~6e13 ph/s @ 8 keV
 *   - KB focus:   14 x  9 um^2 FWHM (open sec. slits), 5x7 um^2 (30x30 um^2 slits)
 *
-* %Example: GALAXIES_E0=10 Detector: GALAXIES_mon_dcm_xy_I=6.05992e+12
+* %Example: GALAXIES_E0=10 Detector: GALAXIES_mon_dcm_xy_I=1.1407e+19
 *
 * %Parameters
 * GALAXIES_E0:          [keV]  Nominal energy (2.3 - 12).
@@ -138,7 +138,7 @@ INITIALIZE
 %{
   {
     // --- DCM Si(111) Bragg angle from GALAXIES_E0
-    double DM = 5.4909;      // Si d-spacing
+    double DM = 5.4309;      // Si d-spacing
     double d111 = DM/sqrt(3);
     double sin_theta = 2*PI/E2K/GALAXIES_E0 / 2 / d111;
     if (fabs(sin_theta) >= 1)

mcxtrace-comps/examples/SOLEIL/SOLEIL_LUCIA/SOLEIL_LUCIA.instr

@@ -47,7 +47,7 @@ DECLARE
 INITIALIZE
 %{
   {
-    double DM= 5.4909;     // Si d-spacing
+    double DM= 5.4309;     // Si d-spacing
     double d = DM/sqrt(3); // <111> reflection |<111>|=3
     LUCIA_dcm_gap  = 0.02;       // gap between the 2 monochromator crystals
 

mcxtrace-comps/examples/SOLEIL/SOLEIL_NANOSCOPIUM/SOLEIL_NANOSCOPIUM.instr

@@ -33,7 +33,7 @@
 * 154.961      | Mirror KB2 (elliptic) : horizontal focus
 * 155.140      | Nano-probe 2
 *
-* %Example: NANO_E0=11 Detector: NANO_e_dcm_out_I=4.09492e+10
+* %Example: NANO_E0=11 Detector: NANO_e_dcm_out_I=9.8902e+10
 * 
 * %Parameters
 * NANO_E0          [keV] Energy selected at the Undulator.

mcxtrace-comps/examples/SOLEIL/SOLEIL_PSICHE/SOLEIL_PSICHE.instr

@@ -53,7 +53,7 @@ DECLARE
 INITIALIZE
 %{
    {
-     double DM= 5.4909;     // Si d-spacing
+     double DM= 5.4309;     // Si d-spacing
      double d = DM/sqrt(3); // <111> reflection |<111>|=3
      PSICHE_dcm_gap  = 0.02;       // gap between the 2 monochromator crystals
      PSICHE_dcm_scatter = PSICHE_DCM_present;

mcxtrace-comps/examples/SOLEIL/SOLEIL_PUMA/SOLEIL_PUMA.instr

@@ -20,7 +20,7 @@
 * spectroscopy (XANES), X-ray diffraction (XRD), and 
 * X-ray-excited optical luminescence spectroscopy (XEOL)
 *
-* %Example: PUMA_E0=10 Detector: PUMA_mon_sample_e_I=1.82885e+12
+* %Example: PUMA_E0=10 -n 1e7 Detector: PUMA_mon_sample_e_I=1.2410e+11
 *
 * %Parameters
 * PUMA_E0:         [keV]  Central energy selected by the DCM. Set to 0 to derive it from PUMA_DCM_theta.
@@ -67,7 +67,7 @@ INITIALIZE
     {
       // HFM mirror
       double p_HFM = 21.0;
-      PUMA_HFM_radius = 2*p_HFM*PUMA_HFM_focal / ((p_HFM+PUMA_HFM_focal) * (sin(PUMA_HFM_angle*DEG2RAD)));
+      PUMA_HFM_radius = 2*p_HFM*PUMA_HFM_focal / ((p_HFM+PUMA_HFM_focal) * (sin(PUMA_HFM_angle/2*DEG2RAD))); // grazing angle is half the deflection
 
       // DCM
       double DM = 5.4309;
@@ -94,11 +94,11 @@ INITIALIZE
 
       // KB VFM
       double p_KB_VFM = 62.515, q_KB_VFM = 0.785;
-      PUMA_KB_VFM_radius = 2*p_KB_VFM*q_KB_VFM / ((p_KB_VFM+q_KB_VFM) * (sin(PUMA_KB_angle*DEG2RAD)));
+      PUMA_KB_VFM_radius = 2*p_KB_VFM*q_KB_VFM / ((p_KB_VFM+q_KB_VFM) * (sin(PUMA_KB_angle/2*DEG2RAD)));
 
       // KB HFM
       double p_KB_HFM = 62.975, q_KB_HFM = 0.325;
-      PUMA_KB_HFM_radius = 2*p_KB_HFM*q_KB_HFM / ((p_KB_HFM+q_KB_HFM) * (sin(PUMA_KB_angle*DEG2RAD)));
+      PUMA_KB_HFM_radius = 2*p_KB_HFM*q_KB_HFM / ((p_KB_HFM+q_KB_HFM) * (sin(PUMA_KB_angle/2*DEG2RAD)));
     }
 %}
 
@@ -284,7 +284,7 @@ COMPONENT PUMA_mirror_KB_VFM = Mirror_curved(
     width = 0.04, coating = PUMA_KB_coating // Rh or B4C
 )
 AT(0, 0, 0)RELATIVE PUMA_KB_VFM_rotated
-ROTATED (0, 0, 0) RELATIVE PUMA_KB_VFM_rotated
+ROTATED (0, 0, -90) RELATIVE PUMA_KB_VFM_rotated // Mirror_curved deflects in its XZ plane: roll it to focus vertically
 EXTEND %{
   if (!SCATTERED) ABSORB;
 %}
@@ -345,7 +345,7 @@ AT (0, 0, 0) RELATIVE PREVIOUS
 
 /* -------------------------------------------------- Sample */
 COMPONENT PUMA_sample_location = Arm()
-AT (-7.88e-5, 0.002366 , (63.3 - 62.975)) RELATIVE PREVIOUS
+AT (0, 0, (63.3 - 62.975)) RELATIVE PREVIOUS
 
 // Monitors
 COMPONENT PUMA_mon_sample_xy = PSD_monitor(

mcxtrace-comps/examples/SOLEIL/SOLEIL_PX1/SOLEIL_PX1.instr

@@ -87,7 +87,7 @@
 * - Electron beam sizes are nominal SOLEIL short straight section values
 *   (beta_x=2.19 m, beta_y=1.09 m, emittance 3.74 nm rad, 1% coupling).
 *
-* %Example: PX1_E0=12.67 Detector: PX1_sample_monitor_I=1.232e+20
+* %Example: PX1_E0=12.67 Detector: PX1_sample_monitor_I=1.8992e+21
 *
 * %Parameters
 * PX1_E0:     [keV] Energy selected at the Undulator (reference energy 12.67 keV, standard range 6.5-15 keV).
@@ -213,14 +213,14 @@ COMPONENT PX1_vfm = Mirror_curved(
   width=0.1,
   radius=PX1_vfm_radius)
 AT (0,0,0)                          RELATIVE PX1_vfm_location
-ROTATED (0,-PX1_mirror_grazing_angle,0) RELATIVE PX1_vfm_in_xz_plane
+ROTATED (0,-PX1_mirror_grazing_angle*RAD2DEG,0) RELATIVE PX1_vfm_in_xz_plane
 EXTEND %{
   flag_vfm=SCATTERED;
 %}
 
 COMPONENT PX1_vfm_takeoff = COPY(PX1_vfm_location)
 AT (0,0,0) RELATIVE PX1_vfm_in_xz_plane
-ROTATED (-2*PX1_mirror_grazing_angle, 0, 0) RELATIVE PX1_vfm_location
+ROTATED (-2*PX1_mirror_grazing_angle*RAD2DEG, 0, 0) RELATIVE PX1_vfm_location
 
 // KB 2nd mirror: horizontal focusing, at 1.95 m from the sample
 COMPONENT PX1_hfm_location = COPY(PX1_vfm_location)
@@ -232,14 +232,14 @@ COMPONENT PX1_hfm = Mirror_curved(
   width=0.1,
   radius=PX1_hfm_radius)
 AT (0,0,0)                          RELATIVE PX1_hfm_location
-ROTATED (0,-PX1_mirror_grazing_angle,0) RELATIVE PX1_hfm_location
+ROTATED (0,-PX1_mirror_grazing_angle*RAD2DEG,0) RELATIVE PX1_hfm_location
 EXTEND %{
   flag_hfm=SCATTERED;
 %}
 
 COMPONENT PX1_hfm_takeoff = COPY(PX1_vfm_location)
 AT (0,0,0)                            RELATIVE PX1_hfm_location
-ROTATED (0,-2*PX1_mirror_grazing_angle,0) RELATIVE PX1_hfm_location
+ROTATED (0,-2*PX1_mirror_grazing_angle*RAD2DEG,0) RELATIVE PX1_hfm_location
 
 // Sample ----------------------------------------------------------------------
 // We centre the beam after the KB. Sample position (SG) at 23.846 m.