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 |
avgFacLvls |
Average Levels of a Factor in a Data Matrix |
baselineSpectra |
Baseline Correction of a Spectra Object |
binData |
Bin or Bucket Data |
binSpectra |
Bin or Bucket a Spectra Object |
check4Gaps |
Check for Missing Values (Gaps) |
ChemoSpec |
Exploratory Chemometrics for Spectroscopy |
chkSpectra |
Verify the Integrity of a Spectra Object |
chooseLvls |
Select Levels for Contour and Image Type Plots |
clupaSpectra |
Conduct Hierarchical Cluster-Based Peak Alignment on a Spectra Object |
colLeaf |
Color the Leaves of a Dendrogram Based on a Spectra Object |
colorSymbol |
Colors and Symbols in ChemoSpec and Spectra Objects |
conColScheme |
Change the Color Scheme of a Spectra Object |
coordProjCS |
Modified Version of coordProj from mclust |
corSpectra |
Tools for STOCSY Analysis of a Spectra Object |
covSpectra |
Tools for STOCSY Analysis of a Spectra 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 |
Merge Files in a Directory into a Spectra Object |
getMaxCovByFreq |
Order Rows of a Covariance Matrix by Absolute Value |
groupNcolor |
Assign Group Membership and Colors for a Spectra Object |
hcaScores |
HCA on PCA scores from a Spectra Object |
hcaSpectra |
Plot HCA Results of a Spectra Object |
hmapSpectra |
Create a Seriated Heat Map Comparing Samples and Spectral Data for a Spectra Object |
hypTestScores |
Conduct MANOVA using PCA Scores and Factors in a Spectra Object |
isWholeNo |
Determine if a Number is a Whole Number |
labelExtremes |
Label Extreme Values in a 2D Data Set |
labelExtremes3d |
Identify Extreme Values in 3D |
loopThruSpectra |
Display the Spectra in a Spectra Object One at a Time |
makeEllipsoid |
Create Ellipsoid |
mclust3D |
mclust Analysis in 3D |
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 |
normVec |
Normalize a Vector to range -1 to +1 |
pcaDiag |
Outlier Diagnostic Plots for PCA of a Spectra Object |
plot2Loadings |
Plot PCA Loadings from a Spectra Object Against Each Other |
plotHCA |
Plot Dendrogram for Spectra Object |
plotLoadings |
Plot PCA Loadings for a Spectra Object |
plotScores |
Plot PCA Scores of a Spectra Object |
plotScores3D |
3D PCA Score Plot for a Spectra Object |
plotScoresCor |
Compute Confidence Ellipses |
plotScoresDecoration |
Decorate PCA Score Plot of a Spectra Object |
plotScoresRGL |
Interactive 3D Score Plot of a Spectra Object |
plotScree |
Scree Plots of PCA Results for a Spectra Object |
plotScree2 |
Scree Plots of PCA Results for a Spectra Object |
plotSpectra |
Plot Spectra Object |
plotSpectraJS |
Plot a Spectra Object Interactively |
q2rPCA |
Conversion Between PCA Classes |
r2qPCA |
Conversion Between PCA Classes |
readJDX |
Read and process a JCAMP-DX file. |
removeFreq |
Remove Frequencies from a Spectra Object |
removeGroup |
Remove Samples or Groups from a Spectra Object |
removeSample |
Remove Samples or Groups from a Spectra Object |
rowDist |
Compute Distance Between Rows of a Matrix |
r_pcaSpectra |
Robust PCA of a Spectra Object |
sampleDistSpectra |
Compute the Distance Between Samples in a Spectra Object |
seX |
Functions to Compute Measures of Central Tendency and Spread. seX! |
seXy |
Functions to Compute Measures of Central Tendency and Spread. seX! |
seXy95 |
Functions to Compute Measures of Central Tendency and Spread. seX! |
seXyIqr |
Functions to Compute Measures of Central Tendency and Spread. seX! |
seXyMad |
Functions to Compute Measures of Central Tendency and Spread. seX! |
shrinkLeaf |
Shrink the Leaves of a Dendrogram Based on 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 Parameters of a Spectra Object |
sumSpectra |
Summarize a Spectra Object |
surveySpectra |
Plot Measures of Central Tendency and Spread for a Spectra Object |