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Releases: cheminfo/mass-tools

v7.55.0

26 Mar 12:16

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7.55.0 (2026-03-26)

Features

  • chemical-elements: add deltaNeutrons to stableIsotopesObject (c801d2d)
  • isotopic-distribution: compute deltaNeutrons from composition (f18e0ba)
  • mf-parser: add naturalDeltaNeutrons to getIsotopesInfo isotope entries (8b60101)

Bug Fixes

  • chemical-elements: rename deltaNeutron to deltaNeutrons for consistency (8266a3f)

v7.54.0

24 Mar 15:03
2c0dccd

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7.54.0 (2026-03-24)

Features

  • provide a simple isotopicDistribution calculation (10ba88f)

Bug Fixes

  • increase vitest snapshot maxOutputLength to prevent truncation (827d9d3)

v7.53.1

04 Mar 16:25
e3441d1

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7.53.1 (2026-03-04)

Bug Fixes

  • octochemdb: patents with no products are at the end of the list (808d3fc)

v7.53.0

04 Mar 09:40
46b920e

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7.53.0 (2026-03-04)

Features

  • mf-parser: allow to expand range MF (7585788)

v7.52.0

11 Aug 10:48
4edca9a

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7.52.0 (2025-08-07)

Features

  • mf-parser: simplify method skip text elements (like spaces) (bf322e2)

v7.51.0

30 Jul 14:14
ac4843f

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7.51.0 (2025-07-28)

Features

  • mass-tools: expose MFRange (f62bca2)

v7.50.0

28 Jul 15:00
b6d5fba

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7.50.0 (2025-07-28)

Features

  • mf-parser: parseMF has 2 options to expandGroups and simplify result (157425c)
  • mf-utilities: add MFRange (e9c166d)

Bug Fixes

v7.49.0

03 Apr 09:37
1643734

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7.49.0 (2025-04-03)

Features

  • ms-spectrum: add options to Spectrum.maxY (#280) (6a4f3fa)

v7.48.3

22 Mar 08:41
b8ded2d

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7.48.3 (2025-03-22)

Bug Fixes

  • mf-parser: getNumberOfIsotopologues always returns a number. 0 if no stable isotopoe of no MF (ece391a)
  • mf-parser: mf.getInfo always returns the nbIsotopologues property (032b1da)
  • mf-parser: rename types PartInfo -> MFInfo, PartInfoWithParts -> MFInfoWithParts (3388b75)
  • mf-parser: toParts({expand:false}) does not have side effects anymore (dec8cf9)

v7.48.2

21 Mar 13:56
a896080

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7.48.2 (2025-03-21)

Bug Fixes

  • ms-report: correct shim for browser after TS migration (#276) (62507b3)