nmr-load-save

Package to load and save NMR spectra.

$ npm i nmr-load-save

Usage

import { fileCollectionFromPath } from 'filelist-utils';
import { read, writeNmredata } from 'nmr-load-save';

const fileCollection = fileCollectionFromPath('path_to_data');
// we can read a zip, jdx, jdf, nmredata, json, nmrium file extensions
const result = await read(fileCollection, options);

// based on extension we choose the format processor
console.log(result);
// return {
//   spectra: [],
//   molecules: [],
// }

// readSource function accept a partial FileCollectionItems and a baseURL to generate a 
// data structure with a source object inside with { files, filter, baseURL }

const nmriumObject = await readSource(
  {
    baseURL: 'https://cheminfo.github.io',
    files: [
      {
        name: 'aspirin-1h.zip',
        relativePath: 'bruker-data-test/data/zipped/aspirin-1h.zip',
      },
    ],
  },
  {},
);

License

MIT