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Recent Releases of mass-tools

mass-tools - v7.50.0

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

- JavaScript
Published by cheminfo-bot 7 months ago

mass-tools - v7.49.0

7.49.0 (2025-04-03)

Features

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

- JavaScript
Published by cheminfo-bot 11 months ago

mass-tools - v7.48.3

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)

- JavaScript
Published by cheminfo-bot 12 months ago

mass-tools - v7.48.2

7.48.2 (2025-03-21)

Bug Fixes

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

- JavaScript
Published by cheminfo-bot 12 months ago

mass-tools - v7.48.1

7.48.1 (2025-03-21)

Bug Fixes

  • isotopic-distribution: avoid approximation issues with getPeaks (4230c58)
  • octochemdb: update orama to solve build issue (#275) (4674fd1)

- JavaScript
Published by cheminfo-bot 12 months ago

mass-tools - v7.48.0

7.48.0 (2025-03-20)

Features

  • mf-parser: add info about number of isotopologues (#270) (ba80823)

- JavaScript
Published by cheminfo-bot 12 months ago

mass-tools - v7.47.1

7.47.1 (2025-03-17)

Bug Fixes

  • isotopic-distribution: do not round limits in getGaussian (#264) (a2a9995)

- JavaScript
Published by cheminfo-bot 12 months ago

mass-tools - v7.47.0

7.47.0 (2025-03-12)

Features

  • mf-parser: remove useless surrounding parenthesis and 1 multiplier when displaying a MF (#262) (a9b9947)

- JavaScript
Published by cheminfo-bot 12 months ago

mass-tools - v7.46.0

7.46.0 (2025-03-10)

Features

  • ms-spectrum: export fromMonoisotopicMass (#260) (dd8d2a4)

Bug Fixes

  • mf-parser: toDisplay deals correctly with simple charges (#261) (42d2b7a)
  • mf-utilities: types returned by preprocessIonizations (#258) (629973d)
  • only expose build code in packages (#255) (f295376)

- JavaScript
Published by cheminfo-bot 12 months ago

mass-tools - v7.45.0

7.45.0 (2024-12-18)

Features

  • mf-parser: allow decimal isotopic composition (#253) (9696c50)

- JavaScript
Published by cheminfo-bot about 1 year ago

mass-tools - v7.44.4

7.44.4 (2024-12-17)

Bug Fixes

  • mf-parser: package.json exposes only main (#247) (7a77ffc)

- JavaScript
Published by cheminfo-bot about 1 year ago

mass-tools - v7.44.3

7.44.3 (2024-12-17)

Bug Fixes

  • isotopic-distribution: maxValue was not correctly managed in getGaussian (#245) (3b8aaf2)

- JavaScript
Published by cheminfo-bot about 1 year ago

mass-tools - v7.44.2

7.44.2 (2024-12-09)

Bug Fixes

  • mf-parser: provide getInfo advanced typings (#241) (06a4121)

- JavaScript
Published by cheminfo-bot about 1 year ago

mass-tools - v7.44.1

7.44.1 (2024-12-09)

Bug Fixes

  • isotopic-distribution: crash with getGaussian and maxValue when no peaks (#239) (80906a9)

- JavaScript
Published by cheminfo-bot about 1 year ago

mass-tools - v7.44.0

7.44.0 (2024-12-05)

Features

  • chemical-elements: rewrite in TypeScript (f663e61)

Bug Fixes

  • declare missing dependencies (29ee58c)
  • update dependencies and add source mapping (01767cf)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.43.0

7.43.0 (2024-11-27)

Features

  • ms-spectrum: getBestPeaks have now min and maxValue (#224) (8a3ae33)
  • peptide: allow conversion of lowercase AA sequences (#223) (f547db4)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.42.1

7.42.1 (2024-11-19)

Bug Fixes

  • mf-utilities: preprocessRanges was not dealing correctly with parenthesis (#220) (54b6845)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.42.0

7.42.0 (2024-11-13)

Features

  • isotopic-distribution: allow to select number of decimals during export (#218) (a927b8a)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.41.3

7.41.3 (2024-10-14)

Bug Fixes

  • ms-spectrum: remove duplicate param type (#215) (63e2a08)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.41.2

7.41.2 (2024-10-01)

Bug Fixes

  • generateMFs with charges was giving wrong results (#213) (e6d5ac1)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.41.1

7.41.1 (2024-08-06)

Bug Fixes

  • need to build-lerna before build for browser because some code in in TS (#210) (3ee2466)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.41.0

7.41.0 (2024-08-02)

Features

  • add deltaNeutrons in isotopicDistribution when calculating the isotopic distribution (#208) (a543d38)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.40.2

7.40.2 (2024-07-31)

Bug Fixes

  • peptide: allow convertion of peptide sequences if only one letter (69338f2)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.40.1

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)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.40.0

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)

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.39.1

7.39.1 (2024-06-29)

Bug Fixes

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.39.0

7.39.0 (2024-06-26)

Features

Bug Fixes

- JavaScript
Published by cheminfo-bot over 1 year ago

mass-tools - v7.38.0

7.38.0 (2024-06-05)

Features

  • MassTools expostes mfFromAtomicRatio (ab787f1)

- JavaScript
Published by cheminfo-bot almost 2 years ago

mass-tools - v7.37.0

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)

- JavaScript
Published by cheminfo-bot almost 2 years ago

mass-tools - v7.36.1

7.36.1 (2024-05-17)

Bug Fixes

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

- JavaScript
Published by cheminfo-bot almost 2 years ago

mass-tools - v7.36.0

7.36.0 (2024-05-10)

Bug Fixes

  • remove tests from build (7a6587e)

- JavaScript
Published by cheminfo-bot almost 2 years ago

mass-tools - v7.35.0

7.35.0 (2024-04-16)

Features

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

- JavaScript
Published by cheminfo-bot almost 2 years ago

mass-tools - v7.34.0

7.34.0 (2024-04-03)

Features

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

- JavaScript
Published by cheminfo-bot almost 2 years ago

mass-tools - v7.33.5

7.33.5 (2024-03-16)

Bug Fixes

- JavaScript
Published by cheminfo-bot almost 2 years ago

mass-tools - v7.33.4

7.33.4 (2024-03-07)

Bug Fixes

  • remove duplicates of ml-spectra-processing (040da0e)

- JavaScript
Published by cheminfo-bot about 2 years ago

mass-tools - v7.33.3

7.33.3 (2024-03-07)

Bug Fixes

  • update ml-spectra-processing (4df865d)

- JavaScript
Published by cheminfo-bot about 2 years ago

mass-tools - v7.33.2

7.33.2 (2024-02-22)

Bug Fixes

  • octochemdb: Cannot read property 'length' of undefined (f34993d)

- JavaScript
Published by cheminfo-bot about 2 years ago

mass-tools - v7.33.1

7.33.1 (2024-02-15)

Bug Fixes

  • octochemdb: fix sorting if not data (3ee9fdd)

- JavaScript
Published by cheminfo-bot about 2 years ago

mass-tools - v7.33.0

7.33.0 (2024-01-30)

Features

  • octochemdb: search activesOrNaturals with noStereoTautomerID (52ade5b)

- JavaScript
Published by cheminfo-bot about 2 years ago

mass-tools - v7.32.0

7.32.0 (2024-01-23)

Features

  • allow to select technique in InSilicoSpectra search (964afbf)

- JavaScript
Published by cheminfo-bot about 2 years ago

mass-tools - v7.31.1

7.31.1 (2024-01-23)

Bug Fixes

  • mass-fragmentation: array variables need to be plural (modes, ionizations) (672b9b0)

- JavaScript
Published by cheminfo-bot about 2 years ago

mass-tools - v7.31.0

7.31.0 (2023-12-13)

Features

  • mass-fragmentation: use ionization and mode to get reactions (ca00605)

- JavaScript
Published by cheminfo-bot about 2 years ago

mass-tools - v7.30.1

7.30.1 (2023-12-12)

Bug Fixes

  • octochemdb: sort in silice spectra search by similarity (328e707)

- JavaScript
Published by cheminfo-bot about 2 years ago

mass-tools - v7.30.0

7.30.0 (2023-12-12)

Features

  • ms-spectrum: MSComparator returns a similarity object (acdfff5)

- JavaScript
Published by cheminfo-bot about 2 years ago

mass-tools - v7.29.0

7.29.0 (2023-12-06)

Features

  • if relative mass display possible MF for selected peak (153a591)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.28.0

7.28.0 (2023-12-05)

Features

  • mass-fragmentation: improve reactions (876932b)
  • octochemdb: add searchInsilicoSpectra by masses and mf (9f5e637)

Bug Fixes

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.27.0

7.27.0 (2023-12-04)

Features

  • ms-spectrum: Add new method getSimilarityByMasses (9409ffb)
  • octochemdb: add searchInSilicoSpectra (cef6df1)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.26.0

7.26.0 (2023-11-28)

Features

  • background color in svg is related to peak intensity (340e520)
  • mass-fragmentation: improve db fragmentation reactions (1e3eaac)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.25.0

7.25.0 (2023-11-21)

Features

  • mass-fragmentation: fragmentation without molfile (30fc7b9)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.24.0

7.24.0 (2023-11-15)

Features

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

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.23.0

7.23.0 (2023-11-13)

Features

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

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.22.0

7.22.0 (2023-11-01)

Features

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

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - 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)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.20.1

7.20.1 (2023-10-19)

Bug Fixes

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

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - 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)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.19.1

7.19.1 (2023-10-16)

Bug Fixes

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

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.19.0

7.19.0 (2023-10-16)

Features

  • mfs-deconvolution: improve speed (e1ac88e)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.18.0

7.18.0 (2023-10-13)

Features

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

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - 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)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.16.0

7.16.0 (2023-10-10)

Features

  • mass-fragmentation: improve getDatabase filter options (#150) (2a8c5b8)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.15.0

7.15.0 (2023-10-10)

Features

  • octochemdb: massSpectra queries returns the database (ace015d)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.14.0

7.14.0 (2023-10-10)

Features

  • mass-fragmentation: select ionization kind (abb429b)
  • mass-fragmentation: update openchemlib-utils (10737d8)

Bug Fixes

  • mass-fragmentation: typos in getLabel function (#147) (7bc8dd2)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.13.1

7.13.1 (2023-10-06)

Bug Fixes

  • mass-fragmentation: load correctly the datatabase of fragmentations (#145) (0bde65d)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.13.0

7.13.0 (2023-10-05)

Features

  • allow to findMFs with negative atoms (d4fa5c5)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.12.0

7.12.0 (2023-09-28)

Features

  • add kwTitles in activesOrNaturals (9fdb6be)
  • octochemdb: Generalise mass spectra search (#142) (de90b45)

Bug Fixes

  • mfs-deconvolution: difference was not correctly calculated (2f7d37b)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.11.3

7.11.3 (2023-09-04)

Bug Fixes

  • emdb: correct documentation (3df769b)
  • mass-fragmentation: correct documentation (539f924)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.11.2

7.11.2 (2023-09-04)

Bug Fixes

  • fetchJSON use local test files (55f222e)
  • octochemdb: .only in tests (a089f13)
  • octochemdb: fetch local files for activesOrNaturals (39d3a89)
  • octochemdb: missing package msw for tests (00cf005)
  • octochemdb: retry if fetch fail (8489705)
  • use limit in tests to avoid timeout (b2c102e)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.11.1

7.11.1 (2023-08-25)

Bug Fixes

  • mass-fragmentation: ts-ignore for ionizationFragments (bef8b48)
  • update all dependencies (c1aee41)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.11.0

7.11.0 (2023-08-25)

Features

  • mass-fragmentation: limit reactions (ad5c902)

Bug Fixes

  • mass-fragmentation: generate all combinations of ionization (efcc9dd)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.10.0

7.10.0 (2023-08-18)

Features

  • custom ionization db for fragmentation (4672fe4)
  • mass-fragmentation: export getDatabase (37873c2)
  • mass-tools: give access to MassFragmentation in lactame (b9e9879)
  • mfs-deconvolution: add difference and matchingScore (c00901a)
  • ms-spectrum: allow to define threshold for peakPicking when creating spectrum (bbf0365)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.9.1

7.9.1 (2023-07-18)

Bug Fixes

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.9.0

7.9.0 (2023-07-18)

Features

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.8.2

7.8.2 (2023-07-17)

Bug Fixes

  • octochemdb: taxonomy search (bf4eee0)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.8.1

7.8.1 (2023-07-11)

Bug Fixes

  • searchTaxonomies filter instead of find (f3b01fe)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.8.0

7.8.0 (2023-07-11)

Features

Bug Fixes

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.7.0

7.7.0 (2023-06-20)

Features

  • octochemdb: add callback for in-memory search DB preparation (a89d628)
  • octochemdb: taxonomyTree (31a58e6)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.6.0

7.6.0 (2023-06-19)

Features

  • octochemdb: add compoundsFromMF and append title (679103d)
  • octochemdb: add excludedCollections (1a5f907)
  • octochemdb: add taxonomyComparator (bf0aa42)
  • octochemdb: compoundsFromMF sorts results by title length (90778bc)
  • taxonomyTree (2cd05f1)

Bug Fixes

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.5.0

7.5.0 (2023-06-13)

Features

  • mfs-deconvolution: improve speed if no overlap between theoretical and experimental (ed6eb92)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.4.0

7.4.0 (2023-06-13)

Features

  • mfs-deconvolution: add method reconstruct (c328711)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.3.0

7.3.0 (2023-06-12)

Features

  • mass-tools: expose mfsDeconvolution (31e32c1)
  • mfs-deconvolution: specify precision and sort result (c1b985e)
  • octochemdb: add pubmedCompounds method (4ebadd2)
  • search taxonomies (347da02)
  • working version of mfsDeconvolutionq (e80c71c)

Bug Fixes

  • octochemdb: correctly summarize taxonomies (ca91403)

- JavaScript
Published by cheminfo-bot over 2 years ago

mass-tools - v7.2.0

7.2.0 (2023-05-31)

Features

  • db schema based on queryField and sort patents by nbCompounds (fa76d88)
  • ms-spectrum: add spectrum info containing min / max values of the original spectrum (3dbf517)
  • normalize activities (0f2a99a)
  • octochemdb: expose activeOrNaturalSummarize (3be69fa)
  • text search to summarize activeOrNatural entry (78a4112)

Bug Fixes

  • activeOrNaturalSummarize (a525411)
  • add +2 to nbCompounds to avoid dividing by 0 (5d60062)

- JavaScript
Published by cheminfo-bot almost 3 years ago

mass-tools - v7.1.0

7.1.0 (2023-05-24)

Features

  • octochemdb: sort by default activesOrNaturals by nbMassSpectra (cbcf4d2)

- JavaScript
Published by cheminfo-bot almost 3 years ago

mass-tools - v7.0.0

7.0.0 (2023-05-24)

⚠ BREAKING CHANGES

  • move searchGNPS to OctoChemDB
  • remove searchPubchem, searchActivesOrNaturals, searchAndGroupActivesOrNaturals

Features

  • mf-parser: possibility to customize getInfo fieldNames for em (d4e422e)
  • move searchGNPS to OctoChemDB (abff44a)
  • octochemdb: add activeOrNaturalDetails (610f7b1)
  • octochemdb: add activeOrNaturalSummarize (ca852b7)
  • octochemdb: add activesOrNaturals and activesOrNaturalsByMF (9a31172)
  • octochemdb: add package and mfsFromEM (6d97f90)
  • octochemdb: allow to retrieve thousands of patents in activesOrNaturalsDetailllllllls (c8425c5)
  • use octochemdb.cheminfo.org and refactor searchActivesOrNaturals (d216a82)

Bug Fixes

  • mass-tools: expose getBestPeaks that was removed in a previous commit (d585116)
  • mf-finder: minCharge and maxCharge was incorrectly managed by TargetMassCache (dd53e2e)

Miscellaneous Chores

  • remove searchPubchem, searchActivesOrNaturals, searchAndGroupActivesOrNaturals (bac4a83)

- JavaScript
Published by cheminfo-bot almost 3 years ago

mass-tools - v6.12.0

6.12.0 (2023-04-28)

Features

  • mf-matcher: allow filtering by absolute charge (8e45b1d)

- JavaScript
Published by cheminfo-bot almost 3 years ago

mass-tools - v6.11.0

6.11.0 (2023-03-28)

Features

  • isotopic-distribution: add getVariables method (fc452b9)

- JavaScript
Published by cheminfo-bot almost 3 years ago

mass-tools - v6.10.1

6.10.1 (2023-03-25)

Bug Fixes

- JavaScript
Published by cheminfo-bot almost 3 years ago

mass-tools - v6.10.0

6.10.0 (2023-03-21)

Features

  • add selectedMasses options in MSComparator (31f830a)

Bug Fixes

- JavaScript
Published by cheminfo-bot almost 3 years ago

mass-tools - v6.9.0

6.9.0 (2023-03-21)

Features

  • getInfo returns the sum if many parts (b96a6d6)

- JavaScript
Published by cheminfo-bot almost 3 years ago

mass-tools - v6.8.0

6.8.0 (2023-02-17)

Features

  • ms-spectrum: MSComparator has 2 new options: requiredY and minNbCommonPeaks (3fa3ea5)

- JavaScript
Published by cheminfo-bot about 3 years ago

mass-tools - v6.7.0

6.7.0 (2023-02-14)

Features

  • mass-tools: expose searchGNPS (5d57a09)

- JavaScript
Published by cheminfo-bot about 3 years ago

mass-tools - v6.6.0

6.6.0 (2023-02-14)

Features

  • mass-tools: expose ensureCase (316aa11)
  • ms-spectrum: add minMaxX (af77171)
  • ms-spectrum: create searchGNPS (3bb28ba)

Bug Fixes

  • isContinuous was not correcly allowing fails (c3e705a)

- JavaScript
Published by cheminfo-bot about 3 years ago

mass-tools - v6.5.0

6.5.0 (2023-01-30)

Features

- JavaScript
Published by cheminfo-bot about 3 years ago

mass-tools - v6.4.1

6.4.1 (2023-01-11)

Bug Fixes

  • emdb: increase timeout on search.test (e23b3c5)
  • emdb: increase timeout on searchCommercials.test (a8d6a0b)
  • increase timeout to avoid test failing (95fb021)

- JavaScript
Published by cheminfo-bot about 3 years ago

mass-tools - v6.4.0

6.4.0 (2023-01-11)

Features

  • add T as group (synonym of 3H) (1ad569a)

- JavaScript
Published by cheminfo-bot about 3 years ago

mass-tools - v6.3.0

6.3.0 (2022-12-20)

Features

  • mf-finder: Add docs and filter options to mfIncluded (1c532f3)
  • ms-spectrum: add class MSComparator to get spectra similarity (f794da6)
  • ms-spectrum: add class MSComparator to get spectra similarity (f794da6)

- JavaScript
Published by cheminfo-bot about 3 years ago

mass-tools - v6.2.0

6.2.0 (2022-12-16)

Features

  • mf-finder: add method mfIncluded (88e937c)

- JavaScript
Published by cheminfo-bot about 3 years ago

mass-tools - v6.1.0

6.1.0 (2022-12-13)

Features

  • add options in mass-fragmentation to select the fragments to generate (28eaea5)
  • emdb: add count in fromMolecules (bd9fab5)
  • emdb: add method fromMolecules (ecde199)
  • mass-fragmentation: add package mass-fragmentation (1e858bd)

- JavaScript
Published by cheminfo-bot about 3 years ago

mass-tools - v6.0.2

6.0.2 (2022-12-06)

Bug Fixes

  • create more compatible build of mass-tools (7b6ded6)

- JavaScript
Published by cheminfo-bot over 3 years ago

mass-tools - v6.0.1

6.0.1 (2022-12-05)

Bug Fixes

  • build script for lerna publish (cfca9a8)

- JavaScript
Published by cheminfo-bot over 3 years ago

mass-tools - v6.0.0

6.0.0 (2022-12-05)

⚠ BREAKING CHANGES

  • remove default export from all the packages
  • emdb: rename DBManager to EMDB
  • emdb: remove IsotopicDistribution and MFParser. You should use mass-tools to have those 2 librairies

Miscellaneous Chores

  • emdb: remove IsotopicDistribution and MFParser. You should use mass-tools to have those 2 librairies (e6a3cc1)
  • emdb: rename DBManager to EMDB (e6a3cc1)
  • remove default export from all the packages (e6a3cc1)

- JavaScript
Published by cheminfo-bot over 3 years ago