Allows de determine exact mfs composition in a complex mass spectrum.
Installation
$ npm install --save mfs-deconvolution
Usage
import { mfsDeconvolution } from 'mfs-deconvolution';
const text = `
118.0862551 93.8304348
119.0895773 53.0406383
120.0928776 22.0264302
121.0962318 10.6894394
122.0985382 0.3660362
123.1005595 0.0457434
124.1030759 0.0012204
125.1049106 0.0000538
126.1074497 0.0000011
`;
const spectrum = new Spectrum(parseXY(text));
const { mfs } = await mfsDeconvolution(spectrum, ['HValOH', '([13C]C-1)0-10']);