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