Exploratory Chemometrics for Spectroscopy


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Documentation for package ‘ChemoSpec’ version 5.3.11

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ChemoSpec-package Exploratory Chemometrics for Spectroscopy
alignMUD Made Up NMR Data Sets
aovPCAloadings Plot aovPCAscores Loadings of a Spectra Object
aovPCAscores Plot ANOVA-PCA Scores from a Spectra Object
aov_pcaSpectra ANOVA-PCA Analysis of Spectra Data
baselineSpectra Baseline Correction of a Spectra Object
binSpectra Bin or Bucket a Spectra Object
check4Gaps Check for Discontinuities (Gaps) in a Vector & Optionally Make a Plot
ChemoSpec Exploratory Chemometrics for Spectroscopy
chkSpectra Verify the Integrity of a Spectra or Spectra2D Object
clupaSpectra Hierarchical Cluster-Based Peak Alignment on a Spectra Object
colorSymbol Color and Symbols in ChemoSpec and ChemoSpec2D
cv_pcaSpectra Cross-Validation of Classical PCA Results for a Spectra Object
c_pcaSpectra Classical PCA of Spectra Objects
evalClusters Evaluate or Compare the Quality of Clusters Quantitatively
files2SpectraObject Import Data into a Spectra Object
hcaScores HCA on PCA/MIA/PARAFAC scores from a Spectra or Spectra2D Object
hcaSpectra Plot HCA Results of a Spectra Object
hmapSpectra Seriated Heat Map for a Spectra Object
hypTestScores Conduct MANOVA using PCA Scores and Factors in a Spectra Object
irlba_pcaSpectra IRLBA PCA of Spectra Objects
loopThruSpectra Display the Spectra in a Spectra Object One at a Time
matrix2SpectraObject Import Data into a Spectra Object
mclust3dSpectra mclust Analysis of a Spectra Object in 3D
mclustSpectra mclust Analysis of a Spectra Object PCA Results
metMUD1 Made Up NMR Data Sets
metMUD2 Made Up NMR Data Sets
normSpectra Normalize a Spectra Object
pcaDiag Outlier Diagnostic Plots for PCA of a Spectra Object
plot2Loadings Plot PCA Loadings from a Spectra Object Against Each Other
plotLoadings Plot PCA Loadings for a Spectra Object
plotScores Plot Scores from PCA, MIA or PARAFAC Analysis of a Spectra or Spectra2D Object
plotScores3D 3D PCA Score Plot for a Spectra Object
plotScoresRGL Interactive 3D Score Plot of a Spectra Object
plotScree Scree Plots from PCA or MIA Analysis of a Spectra or Spectra2D Object
plotScree2 Alternate Style Scree Plot DEPRECATED
plotSpectra Plot Spectra Object
plotSpectraDist Plot the Distance Between Spectra and a Reference Spectrum in a Spectra Object
plotSpectraJS Plot a Spectra Object Interactively
removeFreq Remove Frequencies from a Spectra or Spectra2D Object
removeGroup Remove Groups from a Spectra or Spectra2D Object
removeSample Remove Samples from a Spectra or Spectra2D Object
rowDist Compute Distance Between Rows of a Matrix
r_pcaSpectra Robust PCA of a Spectra Object
sampleDist Compute the Distances Between Samples in a Spectra or Spectra2D Object
sgfSpectra Apply Savitzky-Golay filters to a Spectra object
Spectra Spectra Objects
splitSpectraGroups Create New Groups from an Existing Spectra Object
sPlotSpectra s-Plot of Spectra Data (Post PCA)
SrE.IR IR and NMR Spectra of Serenoa repens (Saw Palmetto) Oil Extracts and Reference Oils
SrE.NMR IR and NMR Spectra of Serenoa repens (Saw Palmetto) Oil Extracts and Reference Oils
sumGroups Summarize the Group Membership of a Spectra or Spectra2D Object
sumSpectra Summarize a Spectra or Spectra2D Object
surveySpectra Plot Measures of Central Tendency and Spread for a Spectra Object
surveySpectra2 Plot Measures of Central Tendency and Spread for a Spectra Object
s_pcaSpectra Sparse PCA of Spectra Objects
updateGroups Update Group Names in a Spectra or Spectra2D Object