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 (≥ 3.0)|
||pls, amap, chemometrics, robustbase, RColorBrewer, plyr, pcaPP, mvtnorm, mvoutlier, grid, rgl, R.utils, mclust, MASS, baseline, IDPmisc, gsubfn, lattice, seriation|
||mvbutils, sna, knitr|
||Bryan A. Hanson DePauw University, Greencastle Indiana USA|
||Bryan A. Hanson <hanson at depauw.edu>|