Re: [R] Using R to process spectroscopic data

From: Katharine Mullen <kate_at_few.vu.nl>
Date: Thu 09 Feb 2006 - 22:53:30 EST


In the biophysics group of Vrije Universiteit Amsterdam we are working on an R package implementing a problem solving environment for multi-way spectroscopic modeling. We do not have a public version yet, but one will be made available in the future. We plan to describe the package at useR2006.

If you are interested in the sort of (parametric model-based) analysis we are doing, you can see some project documentation at http://www.nat.vu.nl/comp/proj4.html.

To reply to one of your questions, for determination of the optimal number of spectrally distinct components, you could simply take the SVD of your measurements and plot the singular values. The number of values that "stand out" may be used as an estimate of the number of components.

Feel free to contact me for more information. We look forward to providing a complete and powerful package soon!



Katharine Mullen
Department of Physics and Astronomy
Faculty of Sciences
Vrije Universiteit Amsterdam
de Boelelaan 1081
1081 HV Amsterdam
The Netherlands
room: T.1.06
tel: +31 205987870
fax: +31 205987992
e-mail: kate@nat.vu.nl
http://www.nat.vu.nl/~kate/

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