I'm pleased to announce that the ChemoSpec package is available on
CRAN for the first time (as version 1.46-4).
ChemoSpec is 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
permits 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. A
vignette illustrating typical operations is available.
Naturally, I'd be glad to hear from users with suggestions and bug
reports.
Bryan
******
Bryan Hanson
Prof. of Chemistry & Biochemistry
DePauw University
Greencastle Indiana USA
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