cheminfo / ir-spectrum

Deal with IR spectra
MIT License
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ir-spectrum

NPM version Test coverage npm download DOI

Installation

$ npm install --save ir-spectrum

Usage

import IRSpectrum from 'ir-spectrum';

let analysis = IRSpectrum.fromJcamp(jcamp);

When loading an IRSpectrum from Jcamp we will systamatically add 2 new variables:

In order to calculate those 2 variables we will check the Y label. If it contains transmittance we calculate absorbance, if it contains absorbance we calculate transmittance. For transmittance we also check for the presence of a '%' sign.:w

API Documentation

License

MIT