jcampconverter

11.0.3 • Public • Published

Maintained by Zakodium

NB: migrated from https://github.com/cheminfo/jcampconverter/commit/be9f772a7b852a1ca0cd7f00efce278f6413b67e

JCAMP-DX converter

NPM version npm download DOI

Parse and convert JCAMP-DX data.

Installation

npm install jcampconverter

Methods

convert(jcamp, [options])

Converts the jcamp using options.
Returns an object with information about the converted file and uncompressed spectra data.

Arguments

  • jcamp - String or ArrayBuffer containing the JCAMP-DX data
  • options - Object with options to pass to the converter

Options

  • keepRecordsRegExp - regexp to select which records should be placed in the info field. By default: :/^$/} (nothing is kept)
  • withoutXY - do not parse XYDATA or PEAKTABLE fields. Useful to only extract metadata fields (combine this option with keepRecordsRegExp)
  • chromatogram - use the new GC/MS data format output (default: false)
  • canonicDataLabels - canonize data labels (uppercase) (default: true).
  • canonicMetadataLabels - canonize data labels (uppercase) (default: false).
  • dynamicTyping - When parsing field convert to number if a number (default: true)

2D NMR options:

  • noContour - if true, the contour levels will not be generated. Instead the raw data will be available in result.minMax.z (default: false)
  • nbContourLevels - number of contour levels to use in each positive and negative sides (default: 7)
  • noiseMultiplier - default: 5
  • keepSpectra - Generate array for 2D NMR spectra (default: false)

Use as a module

Node.js

var converter = require('jcampconverter');
var jcamp = require('fs').readFileSync('path/to/jcamp.dx', 'utf8');

var result = converter.convert(jcamp);

// if there is only one spectrum it will be in
console.log(result.flatten[0]);

// the converter will also keep the full jcamp tree

Testing and build

npm install
npm test
npm run build

Benchmark

npm run benchmark

License

© 2025 Zakodium Sàrl. This work is licensed under the Creative Commons Attribution-NonCommercial-ShareAlike 4.0 International License. CC BY-NC-SA 4.0

This package is based on MIT-licensed code that can be found here: https://doi.org/10.5281/zenodo.5091526

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Install

npm i jcampconverter

Weekly Downloads

2,454

Version

11.0.3

License

CC-BY-NC-SA-4.0

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74.2 kB

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Collaborators

  • targos
  • lpatiny
  • cheminfo-bot
  • stropitek