Hi Bruce, Great, thanks a lot. The file is shared again now. https://docs.google.com/open?id=0B6dBCadbyZwFS0tDTmdDSXlWVVU Looking forward to hearing from you. Best wishes, Adriana -----Original Message----- From: ifeffit-bounces@millenia.cars.aps.anl.gov [mailto:ifeffit-bounces@millenia.cars.aps.anl.gov] On Behalf Of Bruce Ravel Sent: 29 June 2012 15:54 To: XAFS Analysis using Ifeffit Subject: Re: [Ifeffit] Problems with fit in pyrite structure with Se substitution On Wednesday, June 27, 2012 11:48:27 AM Adriana Matamoros Veloza wrote:
Actually, these data correspond to Se edge measured on natural pyrite grains; we did not measure Fe edge.
There are three possibilities of Se chemical environment in these samples: (1) replacement of S with Se in the pyrite structure, (2) Se is forming its own phase with iron (Se-Fe bonds), (3) it could be the combination of these two.
The project AMV-1 contains data for Se edge in a different pyrite grain than the project AMV-2. So, data can be slightly different taking into account the two possibilities above. I found a better fit for AMV-1, which I will really appreciate if you can give me your comments about this project (link is working now).
https://docs.google.com/open?id=0B6dBCadbyZwFS0tDTmdDSXlWVVU
Adriana, I'd love to try to help you, but this link also returns 404 not found. This Google Docs thing does not seem to be your friend. Why not just attach the project file to your email. They are usually not that big. The largest one on my computer is under 3 MB. Drat! B -- Bruce Ravel ------------------------------------ bravel@bnl.gov National Institute of Standards and Technology Synchrotron Methods Group at NSLS --- Beamlines U7A, X24A, X23A2 Building 535A Upton NY, 11973 Homepage: http://xafs.org/BruceRavel Software: https://github.com/bruceravel _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit