common-spectrum

Common package to deal with spectral analysis.

An Analysis may be composed of many MeasurementXY of different flavours.

By default, the flavour is an empty string, and if your analysis only generates one spectrum, you may forget this level of complexity.

In the case of Thermogravitational Analysis (TGA), we may have two flavours for the data:

• Weight versus Temperature
• Weight versus Time

This package allows loading and saving an Analysis as a JCAMP-DX text file.

Installation

npm install common-spectrum

Usage

import { Analysis, fromJcamp, toJcamp, getJSGraph } from '..';

let analysis = new Analysis();
expect(analysis.id).toHaveLength(8);

analysis.pushSpectrum(
  { x: [1, 2], y: [3, 4] },
  {
    xUnits: 'xUnits',
    yUnits: 'yUnits',
    xLabel: 'X axis',
    yLabel: 'Y axis',
    title: 'My spectrum',
    dataType: 'TGA',
    meta: {
      meta1: 'Meta 1',
      meta2: 'Meta 2',
    },
  },
);

let firstSpectrum = analysis.getSpectrum();

let normalized = analysis.getNormalizedData({
  normalization: {
    filters: [{ name: 'normalize' }],
  },
});

let jsgraph = getJSGraph([analysis]);

let jcamp = toJcamp(analysis, {
  info: {
    owner: 'cheminfo',
    origin: 'Common MeasurementXY',
  },
});

let analysis2 = fromJcamp(jcamp);

API Documentation

License

MIT