The MXAN package (https://www.lnf.infn.it/theory/CondensedMatter/mxan.html and http://www.esrf.eu/computing/scientific/MXAN/) does something along the lines of what you are interested in, in terms of giving a realistic physical model rather than merely fingerprinting. However, it is computationally intensive and isn't too beginner-friendly.
Erik
On Friday, January 16, 2015 10:22 AM, Marcelo Alves wrote:
Hi all,
I wonder if it is possible from XANES unusual data treatment to get information such as number and distances of neigbhors in the first and second shells.
I think that could be very interesting for low Z elements such as P, S, Ca, K, Al, etc in diluted samples.
Thanks in advance.
Marcelo.
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