Parse and convert JCAMP data
npm install jcampconverter
bower install jcampconverter
Converts the jcamp
using options
.
Returns an object with information about the converted file and uncompressed spectra data.
Arguments
jcamp
- String containing the JCAMP dataoptions
- Object with options to pass to the converteruseWorker
- Browser only: convert in a web worker (default: false). If this option is set to true, it will return a Promise.
Options
- keepRecordsRegExp - regexp to select which records should be placed in the info field. By default: :/^$/} (nothing is kept)
- xy - instead of creating a 1D array containing [x1,y1,x2,y2, ...] create an object: {x:[], y:[]}
- 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)
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)
var converter = require('jcampconverter');
var jcamp = require('fs').readFileSync('path/to/jcamp.dx').toString();
var result = converter.convert(jcamp);
require(['jcampconverter'], function(JcampConverter) {
// Use the worker
JcampConverter.convert(jcamp, true).then(function (result) {
// Do something with result
});
});
npm install
npm test
npm run build
npm run benchmark