[R] [R-pkgs] Package ChemoSpec 1.46 Now Available on CRAN

From: Bryan Hanson <hanson_at_depauw.edu>
Date: Wed, 30 Mar 2011 09:30:09 -0400

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 Hanson
Prof. of Chemistry & Biochemistry
DePauw University
Greencastle Indiana USA

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