[R] Using R to process spectroscopic data

[Katharine Mullen]

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 at nat.vu.nl
http://www.nat.vu.nl/~kate/