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mass-tools

NPM version build status Test coverage DOI

Various tools allowing to manipulate molecular formula and analyse mass spectra.

The library is published as a full package on npm as mass-tools.

It is also published for the browser on the CDN https://www.lactame.com.

The library contains the following tools:

  • EMDB: database of molecular formula
  • Groups: List of groups understood by the package
  • Elements: Periodic table elements with associated mw and atomic mass
  • IsotopicDistribution: Package to create isotopic distribution
  • MF: Parse and format molecular formula
  • Peptide: Parse peptide sequences
  • Nucleotide: Parse nucleic sequences
  • Spectrum: Deal with mass spectrum
  • getPeaks: Filter array of peaks
  • getBestPeaks: Get the best peaks of an array of peaks
  • generateMFs: Generate all possible molecular formula
  • Report: Generate fragmentation reports
  • atomSorter: Sort symbol of atoms
  • mfFromEA: Determine molecular formula from elemental analysis

This package should not be installed as we provide many specific packages with the different tools.

  • EMDB: npm i emdb
  • Elements / Groups: npm i chemical-groups
  • IsotopicDistribution: npm i isotopic-distribution
  • MF: npm i mf-parser
  • Peptide: npm i peptide
  • Nucleotide: npm i nucleotide
  • Spectrum: npm i ms-spectrum
  • generateMFs: npm i mf-generator
  • Report: npm i ms-report
  • atomSorter: npm i atom-sorter

Monorepo

npm install <dependency> -w <package>

License

MIT