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ChemoSpec2D
View on CRAN: Click
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Download and install ChemoSpec2D package within the R console
Install from CRAN:
install.packages("ChemoSpec2D")
Install from Github:
library("remotes")
install_github("cran/ChemoSpec2D")
Install by package version:
library("remotes")
install_version("ChemoSpec2D", "0.5.0")
Attach the package and use:
library("ChemoSpec2D")
Maintained by
Bryan A. Hanson
[Scholar Profile | Author Map]
[Scholar Profile | Author Map]
All associated links for this package
First Published: 2018-12-09
Latest Update: 2021-10-11
Description:
A collection of functions for exploratory chemometrics of 2D spectroscopic data sets such as COSY (correlated spectroscopy) and HSQC (heteronuclear single quantum coherence) 2D NMR (nuclear magnetic resonance) spectra. 'ChemoSpec2D' deploys methods aimed primarily at classification of samples and the identification of spectral features which are important in distinguishing samples from each other. Each 2D spectrum (a matrix) is treated as the unit of observation, and thus the physical sample in the spectrometer corresponds to the sample from a statistical perspective. In addition to chemometric tools, a few tools are provided for plotting 2D spectra, but these are not intended to replace the functionality typically available on the spectrometer. 'ChemoSpec2D' takes many of its cues from 'ChemoSpec' and tries to create consistent graphical output and to be very user friendly.
How to cite:
Bryan A. Hanson (2018). ChemoSpec2D: Exploratory Chemometrics for 2D Spectroscopy. R package version 0.5.0, https://cran.r-project.org/web/packages/ChemoSpec2D
Previous versions and publish date:
Other packages that cited ChemoSpec2D R package
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Other R packages that ChemoSpec2D depends,
imports, suggests or enhances
Functions, R codes and Examples using
the ChemoSpec2D R package
Some associated functions: ChemoSpec2D-package . LofC . LofL . MUD . Spectra2D . calcLvls . centscaleSpectra2D . check4Gaps . chkSpectra . colorSymbol . computeVolume . files2Spectra2DObject . hats_alignSpectra2D . import2Dspectra . inspectLvls . miaSpectra2D . normSpectra2D . pfacSpectra2D . plotLoadings2D . plotScores . plotScree . plotSlice . plotSpectra2D . popSpectra2D . removeFreq . removeGroup . removePeaks2D . removeSample . sampleDist . shiftSpectra2D . showScale . sumGroups . sumSpectra . updateGroups .
Some associated R codes: AlignArraysMBO.R . ChemoSpec2D-package.R . LofC.R . LofL.R . MUD.R . Spectra2D.R . calcLvls.R . centscaleSpectra2D.R . check4GapsStub.R . chkSpectraStub.R . cleanArgs2D.R . colorSymbolStub.R . computeVolume.R . createScale.R . drawScale.R . evalArrayOverlapMBO.R . files2Spectra2DObject.R . findExtreme.R . findZeros.R . getAlignOrder.R . getPN.R . hats_alignSpectra2D.R . import2Dspectra.R . inspectLvls.R . makeArray.R . mapColors.R . miaSpectra2D.R . noiseSurface.R . normSpectra2D.R . onAttach.R . pfacSpectra2D.R . plotEngine.R . plotLoadings2D.R . plotScoresStub.R . plotScreeStub.R . plotSlice.R . plotSpectra2D.R . popSpectra2D.R . removeFreqStub.R . removeGroupStub.R . removePeaks2D.R . removeSampleStub.R . rescale.R . sampleDistStub.R . shiftArray.R . shiftSpectra2D.R . showHist.R . showScale.R . sumGroupsStub.R . sumSpectraStub.R . symAroundZero.R . unstack.R . updateGroupsStub.R . Full ChemoSpec2D package functions and examples
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