common-spectrum

common-spectrum

Common package to deal with spectral analysis.

An Analysis may be composed of many Spectrum of different flavors.

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

In the case of Thermogravitaional Analysis (TGA) we may have 2 flavor for the data:

• Weight versus Temperature
• Weight versus Time

This package allow to load / save an Analysis as a JCAMP-DX text file.

Installation

$ npm i 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 Spectrum',
  },
});

let analysis2 = fromJcamp(jcamp);

API Documentation

License

MIT

Changelog

2.12.0 (2024-10-09)

Features

• add new reverseIfNeeded filter and update dependencies (4044e4f)