Hi Qingyu On Fri, 30 Mar 2012, KONG Quingyu wrote:
We recently collected 3000 EXAFS spectra to follow a chemical reaction process, we would like to fit the experimental data with reference spectra using linear combination fitting. Does anyone know there are available or commercial program to normalize the data and make linear combination fitting. We tried to do it with Athena manually, but 3000 spectra take a long time for us and it is not a practical way.
You might wish to look into Bruce Ravel's new suite of programs (called Demeter). I believe they are built to allow easy scripting of massive quantities of data such as yours. Carlo -- Carlo U. Segre -- Duchossois Leadership Professor of Physics Associate Dean for Graduate Admissions, Graduate College Illinois Institute of Technology Voice: 312.567.3498 Fax: 312.567.3494 segre@iit.edu http://phys.iit.edu/~segre segre@debian.org