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jcampconverter

7.3.1 • Public • Published

JCAMP converter

NPM version build status Test coverage David deps npm download

Parse and convert JCAMP data

Installation

Node JS

npm install jcampconverter

Bower

bower install jcampconverter

Methods

convert(jcamp, [options], [useWorker])

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

Arguments

  • jcamp - String containing the JCAMP data
  • options - Object with options to pass to the converter
  • useWorker - 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)
  • 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")
  .toString();
 
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
 

AMD

require(["jcampconverter"], function(JcampConverter) {
  // Use the worker
  JcampConverter.convert(jcamp, true).then(function(result) {
    // Do something with result
  });
});

Testing and build

npm install
npm test
npm run build

Benchmark

npm run benchmark

License

MIT

Install

npm i jcampconverter

DownloadsWeekly Downloads

223

Version

7.3.1

License

MIT

Unpacked Size

88.8 kB

Total Files

22

Last publish

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