# Exploratory Chemometrics for Spectroscopy

## Documentation for package ‘ChemoSpec’ version 6.3.0

- DESCRIPTION file.
- User guides, package vignettes and other documentation.
- Package NEWS.

## Help Pages

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
averageReplicates | Average Replicates in a Spectra Object
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
chkGraphicsOpt | Check the Graphics Output Option/Mode
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
conColScheme | Change the Color Scheme of a Spectra or Spectra2D Object
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
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
plot3dScores | 3D PCA Score Plot for a Spectra Object
plotLoadings | Plot PCA Loadings for a Spectra 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
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
reviewAllSpectra | Review All the Spectra in a Spectra 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