Tools for storing, search and analyze GC/MS spectra
JavaScript
11
7
MIT License
The chromatography library provides tools for storing, searching, and analyzing GC/MS data, including functions for Kovats index conversion, peak detection, and spectrum similarity comparison. It's designed for chemists, researchers, and data scientists working with gas chromatography-mass spectrometry data who need to process and analyze chromatograms programmatically. The library can handle various operations like rescaling retention times, converting between different reference models, and extracting peak information from GC/MS spectra.
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Support the dependencies of cheminfo/chromatography
tiny binary search function with comparators
Check if a value is any kind of array
Calculate the isotopic distribution of a molecular formula
Generate molecular formula based on a range and filters
Parse a molecular formula
Baseline correction using adaptive iteratively reweighted penalized least
Get the maximum value in an array
Get the average value in an array
Get the median value in an array
Get the average value in an array
Global Spectral Deconvolution
Matrix manipulation and computation library
non-negative Generalized Morphological Component Analysis
Principal component analysis
Polynomial Regression
Various method to process spectra
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Parser from NetCDF files to JSON usable for GC/MS
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Shared ESLint config for cheminfo and ml.js projects
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Next-generation ES module bundler
generate a spectrum from discrete peaks
TypeScript is a language for application scale JavaScript development
Next generation testing framework powered by Vite
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