Nmr-load-save NPM | npm.io

0.31.0 • Published 4 days ago

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License

MIT

Repository

Last release

4 days ago

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

@lukeed/uuid @types/lodash.merge brukerconverter cheminfo-types convert-to-jcamp filelist-utils gyromagnetic-ratio is-any-array jcampconverter jeolconverter lodash.merge ml-spectra-processing nmr-correlation nmr-processing nmredata openchemlib openchemlib-utils sdf-parser varian-converter

@infinitebrahmanuniverse/nolb-nm @everything-registry/sub-chunk-2295 nmrium nmrium-cli @zalastax/nolb-nm

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