ChemoSpec: Exploratory Chemometrics for Spectroscopy
A collection of functions for plotting spectra (NMR, IR
etc) and carrying out various forms of top-down exploratory
data analysis, such as HCA, PCA and model-based clustering.
The design allows comparison of data from samples which fall
into groups such as treatment vs. control. Robust methods
appropriate for this type of high-dimensional data are
available. ChemoSpec is designed to be very user friendly and
suitable for people with limited background in R.
||R (≥ 2.10)|
||pls, seriation, amap, chemometrics, robustbase, RColorBrewer, plyr, pcaPP, mvtnorm, mvoutlier, lattice, grid, rgl, R.utils, mclust, MASS, baseline, IDPmisc, gsubfn|
||Bryan A. Hanson DePauw University, Greencastle Indiana USA|
||Bryan A. Hanson <hanson at depauw.edu>|