ir-spectrum

Installation

$ npm install --save ir-spectrum

Usage

import IRSpectrum from 'ir-spectrum';

let analysis = IRSpectrum.fromJcamp(jcamp);

When loading an IR spectrum from JCAMP or SPC, two additional variables are systematically added:

| Key | Label | Units | Description | Always present | | --- | ------------------ | ----- | -------------------------------- | -------------- | | x | Wavenumber | cm⁻¹ | Infrared wavenumber | Yes | | y | (from source file) | | Original y-axis data | Yes | | a | Absorbance | | Absorbance values | Yes | | t | Transmittance | % | Percent transmittance values | Yes |

The conversion is automatic: if the original y label contains "transmittance", absorbance is calculated; if it contains "absorbance", transmittance is calculated. For transmittance, the presence of '%' or 'percent' in the label is used to determine the scaling factor.

Selector for visualization

<select name="selector.variables">
  <option value="a vs x">Absorbance versus wavenumber</option>
  <option value="t vs x">Transmittance versus wavenumber</option>
</select>

API Documentation

License

MIT