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SpecHelpers (version 0.1.19)

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

189

Version

0.1.19

License

GPL-3

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Repository

https://github.com/bryanhanson/SpecHelpers

Maintainer

Bryan Hanson

Last Published

July 16th, 2015

Functions in SpecHelpers (0.1.19)

makeSpec

Draw a Chromatogram or Spectrum

avgLambda

Convert Wavelengths to Integer Values and Average Corresponding Absorbances

gatherCsv

Combine csv Files Containing Spectral Data into a Data Frame

txt2csv

Utility Functions to Clean and Convert Spectral Files to csv

SpecHelpers-package

gatherSpecFiles

Process LoggerPro Spectral Files into a Data Frame

qMS

Draw a Simple Mass Spectrum Showing the Parent Ion

gaussCurve

Compute a Gaussian Curve

plotNMRspec

Create and Plot an NMR Spectrum

lorentzCurve

Compute a Lorentzian Curve

jSeq

Utility for Creating NMR Multiplets

plot2DNMRspec

Draw a 2D NMR Spectrum