Exploratory Chemometrics for 2D Spectroscopy


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Documentation for package ‘ChemoSpec2D’ version 0.4.187

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ChemoSpec2D-package Exploratory Chemometrics for 2D Spectroscopy
calcLvls Calculate Levels for Contour and Image Type Plots
centscaleSpectra2D Center and Scale a Spectra2D Object Along the Samples Dimension
check4Gaps Check for Discontinuities (Gaps) in a Vector & Optionally Make a Plot
ChemoSpec2D Exploratory Chemometrics for 2D Spectroscopy
chkSpectra Verify the Integrity of a Spectra or Spectra2D Object
colorSymbol Color and Symbols in ChemoSpec and ChemoSpec2D
computeVolume Compute the Volume of a Specified Shift Range in a 2D Spectrum
files2Spectra2DObject Import Data into a Spectra2D Object
hats_alignSpectra2D Align the Spectra in a Spectra2D Object using the HATS algorithm.
import2Dspectra Import 2D Spectroscopic Data
inspectLvls Inspect Levels for Contour Plots of Spectra2D Objects
LofC Create a List of Colors
LofL Create a List of Contour Levels
miaSpectra2D Multivariate Image Analysis (Tucker 1) of a Spectra2D Object
MUD Made Up 2D NMR-Like Data Sets
MUD1 Made Up 2D NMR-Like Data Sets
MUD2 Made Up 2D NMR-Like Data Sets
normSpectra2D Normalize a Spectra2D Object
pfacSpectra2D PARAFAC Analysis of a Spectra2D Object
plotLoadings2D Plot Loadings from a PARAFAC, MIA or POP Analysis of a Spectra2D Object
plotScores Plot Scores from PCA, MIA or PARAFAC Analysis of a Spectra or Spectra2D Object
plotScree Scree Plots from PCA or MIA Analysis of a Spectra or Spectra2D Object
plotSlice Plot a Slice of a Spectra2D Object
plotSpectra2D Plot a Spectra2D Object
popSpectra2D Plain Old PCA (POP) of Spectra2D Objects
removeFreq Remove Frequencies from a Spectra or Spectra2D Object
removeGroup Remove Groups from a Spectra or Spectra2D Object
removePeaks2D Remove Peaks in a Spectra2D Object
removeSample Remove Samples from a Spectra or Spectra2D Object
sampleDist Compute the Distances Between Samples in a Spectra or Spectra2D Object
shiftSpectra2D Shift the Spectra in a Spectra2D Object
showScale Display a pdf Version of the Contour Scale
Spectra2D Spectra2D Objects
sumGroups Summarize the Group Membership of a Spectra or Spectra2D Object
sumSpectra Summarize a Spectra or Spectra2D Object
updateGroups Update Group Names in a Spectra or Spectra2D Object