v7.24.0

7.24.0 (2023-11-15)

Features

• mass-fragmentation: improve reactions db (93ec153)

v7.23.0

7.23.0 (2023-11-13)

Features

• mass-fragmentation: improve reactions DB (09ce8db)

v7.22.0

7.22.0 (2023-11-01)

Features

• emdb: searchSimilarity add a factor that to match the experimental spectrum (183be3c)

v7.21.0

7.21.0 (2023-10-31)

Features

• isotopic-distribution: allow to have an auto zone for search similarity (d776120)
• isotopic-distribution: allow to specify a threshold to filter the peaks by height (b24f392)
• ms-spectrum: allow to specify threshold for peak picking (d398012)

Bug Fixes

• emdb: search similarity was not taking into account fwhm (8475459)
• isotopic-disribution: calculation of minY and maxY were inverted (38a1a9f)

v7.20.1

7.20.1 (2023-10-19)

Bug Fixes

• update dependencies and force old version of ml-matrix and ml-fcnnls (aaffb31)

v7.20.0

7.20.0 (2023-10-19)

Features

• mf-parser: add 'flatten' to mf object to expand all the ranges (1c461ea)
• mf-parser: add flatten method on MF (and remove processRange) (4e3c799)
• mf-utilities: processRange do not optimize if there is no ranges (79a8e88)
• mf-utilities: processRange has an option to optimize in case only unique MF is important (ab235a0)
• mfs-deconvolution: allow customMFs (613e4a0)

v7.19.1

7.19.1 (2023-10-16)

Bug Fixes

• mfs-deconvolution: buildCombined was buggy because mfs were reordered (8f148f6)

v7.19.0

7.19.0 (2023-10-16)

Features

• mfs-deconvolution: improve speed (e1ac88e)

v7.18.0

7.18.0 (2023-10-13)

Features

• mfs-deconvolution: return a function that allows to calculate filteredReconstructed (bfe5bd5)

v7.17.0

7.17.0 (2023-10-11)

Features

• mass-fragmentation: add molecules with same mass (e3cd1b7)
• mass-fragmentation: rename getMasses to groupByMZ (642c96e)