Dear XAFS users
recently I read several mails on this list which were dealing with the problem of large data sets, as they are produced by Q-EXAFS scans or by dispersive XAFS. The question was if there are tools available to handle data sets of several 1000 spectra and perform a linear combination fit or even a full EXAFS evaluation on each of them. Evaluating 3000 spectra is a heroic attempt, but I wonder if it is also economical.
I think that it would be much more useful to find procedures (that means develop computer programs) that search for the (usually relatively small number of) interesting spectra. The most obvious parameter is how similar is a particular spectrum to the spectra measured before and after. The next step would probably be to identify clusters of related spectra using statistical methods. This is a problem which had to be solved in other areas like the automated analysis of images before and should also be possible with our kind of data.
Best regards,
Edmund Welter
-- -------------------------------------------------------- Dr. Edmund Welter Deutsches Elektronen-Synchrotron DESY FS-Do Notkestr. 85 Email: edmund.welter@desy.de D-22607 Hamburg Phone: +49 40 8998 4510 Germany Fax : +49 40 8998 2787 --------------------------------------------------------