This monorepo contains many libraries that allows to analyze low and high resolution mass spectra.
| Project name | Description | Version |
|---|---|---|
| atom-sorter | Callback allowing to sort chemical elements (atoms) in Hill order 🔗 | 2.1.3 |
| chemical-elements | JSON containing information about chemical elements and isotopes 🔗 | 2.1.2 |
| chemical-groups | JSON containing information about chemical groups 🔗 | 2.2.1 |
| emdb | Database manager for exact mass query 🔗 | 3.3.9 |
| isotopic-distribution | Calculate the isotopic distribution of a molecular formula 🔗 | 3.4.0 |
| mass-fragmentation | Code to fragment molecules 🔗 | 1.11.0 |
| mass-tools | Many tools allowing to analyze mass spectra 🔗 | 2.2.7 |
| mf-finder | Find a molecular formula from a monoisotopic mass 🔗 | 3.4.5 |
| mf-from-atomic-ratio | Find a molecular formula from atomic ratio 🔗 | 1.2.5 |
| mf-from-ea | Find a molecular formula from elemental analysis results 🔗 | 2.1.5 |
| mf-from-google-sheet | Retrieve and format molecular formula from google sheet 🔗 | 3.1.5 |
| mf-generator | Generate molecular formula based on a range and filters 🔗 | 3.3.5 |
| mf-global | Various libraries to deal with molecular formula and mass spectra 🔗 | 3.1.9 |
| mf-matcher | Returns true / false for an object using mw, em, msem, unsaturation and atoms 🔗 | 3.2.5 |
| mf-parser | Parse a molecular formula 🔗 | 3.2.5 |
| mf-utilities | Small utilities dealing with molecular formula 🔗 | 3.2.5 |
| mfs-deconvolution | 🔗 | 2.4.9 |
| ms-report | Generate report for mass analysis 🔗 | 3.2.6 |
| ms-spectrum | A mass spectrum 🔗 | 3.6.9 |
| nucleotide | Deal with nucleotides and molecular formula 🔗 | 3.1.6 |
| number-treemap | Manage a sorted tree of numbers 🔗 | 3.1.5 |
| octochemdb | Helper that allows to query the OctoChemDB webservices 🔗 | 2.10.0 |
| peptide | Peptide 🔗 | 2.2.2 |