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.
Wait a minute! Are the data in your first project measured at the Se edge? Or the S edge? In your second project? You keep talking about Se substitution, but the Feff calculations in your two project files have no Se atoms in them. So I am confused -- what you say you want to do is not consistent with what you have actually done in your project files. I am not sure how to advise you because I am not sure which is correct. 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