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SpecHelpers (version 0.3.2)

Spectroscopy Related Utilities

Description

Utility functions for spectroscopy. 1. Functions to simulate spectra for use in teaching or testing. 2. Functions to process files created by 'LoggerPro' and 'SpectraSuite' software.

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Install

install.packages('SpecHelpers')

Monthly Downloads

195

Version

0.3.2

License

GPL-3

Issues

1

Pull Requests

0

Stars

3

Forks

0

Maintainer

Bryan Hanson

Last Published

December 3rd, 2025

Functions in SpecHelpers (0.3.2)

avgLambda

Convert Wavelengths to Integer Values and Average Corresponding Absorbances
plot2DNMRspec

Draw a 2D NMR Spectrum
plotNMRspec

Create and Plot an NMR Spectrum
gatherSpecFiles

Process LoggerPro Spectral Files into a Data Frame
qMS

Draw a Simple Mass Spectrum Showing the Parent Ion
getGamutValues

Look up gamut and white point values in the 1931 CIE system
makeSpec

Draw a Chromatogram or Spectrum
prepCIEgradient

Compute a gradient to fill the CIE chromaticity diagram
SpecHelpers-package

Spectroscopy Related Utilities Maintainer: Bryan A. Hanson hanson@depauw.edu
gatherCsv

Combine csv Files Containing Spectral Data into a Data Frame
multiplet

Compute & Possibly Draw an NMR Multiplet with Optional Annotations
CIExyz

Spectral Locus for the 1931 CIE chromaticity diagram
gaussCurve

Compute a Gaussian Curve
plotCIEchrom

Draw the 1931 CIE chromaticity diagram
emSpectrum

Plot a pretty electromagnetic spectrum
txt2csv

Utility Functions to Clean and Convert Spectral Files to csv
jSeq

Utility for Creating NMR Multiplets
lorentzCurve

Compute a Lorentzian Curve