[Ifeffit] program

[Carlo Segre]

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 at iit.edu   http://phys.iit.edu/~segre   segre at debian.org