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Releases: cheminfo/mass-tools

v7.40.1

11 Jul 07:54
c35170e
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7.40.1 (2024-07-11)

Bug Fixes

  • isotopic-distribution: deal correctly with isotopologues in case of non natural isotopic distribution (74684ba)
  • mf-parser: getIsotopesInfo set correctly in the atom property the atom and not the isotope or enriched isotope (43f1046)

v7.40.0

08 Jul 13:51
5ed557b
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7.40.0 (2024-07-08)

Features

  • mass-tools: expose function preprocessIonizations (a2cabe8)

Bug Fixes

  • enable unicorn ESLint plugin and fix errors (9303048)
  • improve types in isotopic-distribution and mf-parser (#202) (e5769cd)

v7.39.1

29 Jun 08:01
2f409fc
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7.39.1 (2024-06-29)

Bug Fixes

v7.39.0

26 Jun 13:41
263a0c6
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7.39.0 (2024-06-26)

Features

Bug Fixes

v7.38.0

05 Jun 13:36
d213156
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7.38.0 (2024-06-05)

Features

  • MassTools expostes mfFromAtomicRatio (ab787f1)

v7.37.0

05 Jun 12:12
b875676
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7.37.0 (2024-06-05)

Features

  • mf-from-atomic-ratio: New package to find f from atomic ratio. Use in XPS for example. (06c1b3e)

v7.36.1

17 May 16:28
84b8f33
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7.36.1 (2024-05-17)

Bug Fixes

  • emdb: update dependencies (b4d0e44)
  • ms-spectrum: update dependencies in ms-spectrum (3aa0f80)

v7.36.0

10 May 21:05
e3610dc
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7.36.0 (2024-05-10)

Bug Fixes

  • remove tests from build (7a6587e)

v7.35.0

16 Apr 17:27
8a0dd39
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7.35.0 (2024-04-16)

Features

  • ms-spectrum: Charge is not calcluated on peaks anymore (#184) (2052187)

v7.34.0

03 Apr 08:21
856cea6
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7.34.0 (2024-04-03)

Features

  • mf-matcher: Add filter by minMW and maxMW for msemMatcher (c46e3b9)