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ir-spectrum

v3.1.0

Published

[![NPM version][npm-image]][npm-url] [![Test coverage][codecov-image]][codecov-url] [![npm download][download-image]][download-url] [![DOI](https://zenodo.org/badge/DOI/10.5281/zenodo.5482831.svg)](https://doi.org/10.5281/zenodo.5482831)

Downloads

37

Vulnerabilities

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Links

Git

Maintainers

lpatinylpatinystropitekstropitekcheminfo-botcheminfo-bot

Keywords

Readme

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:

  • a: containing the absorbance
  • t: containing the percent transmittance

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