jcampconverter

Maintained by Zakodium

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

JCAMP-DX converter

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