jcampconverter

    8.2.2 • Public • Published

    JCAMP converter

    Parse and convert JCAMP data

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    Maintained by Zakodium

    NPM version build status Test coverage npm download DOI

    Installation

    Node JS

    npm install jcampconverter

    Bower

    bower 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 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

    MIT

    Install

    npm i jcampconverter

    DownloadsWeekly Downloads

    431

    Version

    8.2.2

    License

    MIT

    Unpacked Size

    97.4 kB

    Total Files

    22

    Last publish

    Collaborators

    • targos
    • lpatiny
    • cheminfo-bot
    • stropitek