mclust Analysis of a Spectra Object in 3D
Modified Version of coordProj from mclust
Exploratory Chemometrics for Spectroscopy
Identify Extreme Values in 3D
ANOVA-PCA Analysis of Spectra Data
Outlier Diagnostic Plots for PCA of a Spectra Object
Plot HCA Results of a Spectra Object
Bin or Bucket Data
Conduct PCA and plot aovPCA Scores of a Spectra Object
Bin or Bucket a Spectra Object
Change the Color Scheme of a Spectra Object
Remove Frequencies from a Spectra Object
HCA on PCA scores from a Spectra Object
3D PCA Score Plot for a Spectra Object
Color the Leaves of a Dendrogram
Find the TMS/TSP Peak in an NMR Spectrum.
Merge CSV Files in a Directory into a Spectra Object
Summarize a Spectra Object
Conduct MANOVA using PCA Scores and Factors in a Spectra Object
Colors and Symbols in ChemoSpec and Spectra Objects
Verify the Integrity of a Spectra Object
IR and NMR Spectra of Serenoa repens (Saw Palmetto) Oil Extracts and Reference Oils
Conversion Between PCA Classes
Plot aovPCA Loadings of a Spectra Object
Display the spectra in a Spectra object one at a time
mclust Analysis in 3D
Spectra Objects
Classical PCA of Spectra Objects
Normalize a Vector to range -1 to +1
Interactive 3D Score Plot of a Spectra Object
Read and process a JCAMP-DX file.
Carry out baseline correction on a Spectra object
Decorate PCA Score Plot of a Spectra Object
Average levels of a factor in a data matrix
Robust PCA of a Spectra Object
Label Extreme Values in a 2D Data Set
Determine if a Number is a Whole Number
Summarize the Group Parameters of a Spectra Object
Scree Plots of PCA Results for a Spectra Object
mclust Analysis of a Spectra Object PCA Results
Check for Missing Values (Gaps)
Calculate the signal-to-noise ratio of a peak in a spectrum.
Read and process a Bruker NMR spectrum (.txt) as written by their software.
Compute Confidence Ellipses
Cross-Validation of Classical PCA Results for a Spectra Object
Merge Files in a Directory into a Spectra Object
Plot PCA Loadings from a Spectra object Against Each Other
Assign Group Membership and Colors for a Spectra Object
Create Ellipsoid
IR Spectra of Plant Cuticles by Genotype and Treatment
Plot Spectra Object
Plot Measures of Central Tendency and Spread for a Spectra Object
Remove Samples or Groups from a Spectra Object
Plot PCA Loadings for a Spectra Object
Normalize a Spectra Object
Compute Distance Between Rows of a Matrix
Functions to Compute Measures of Central Tendency and Spread. seX!
Shrink the Leaves of a Dendrogram
s-Plot of Spectra Data Post PCA
Plot PCA Scores of a Spectra Object
Create a Seriated Heat Map Comparing Samples and Spectral Data for a Spectra Object
Plot Dendrogram for Spectra Object
Create New Groups from an Existing Spectra Object