On Monday, November 26, 2012 08:12:58 PM Matt Newville wrote:
What is the nature of the difference you see? Do you see differences in numerical values of fitted parameters, in chi(k), in chi(R)? I hate to guess, but I wonder if what you're seeing could be due to differences in k- and R-ranges. If you're comparing chi(R), you have to be sure all the FFT parameters are identical. Of course, you also have to be sure that all the values of all the Path Parameters are identical too.
I want to emphasize this point that Matt made. Artemis, by default, will set some path parameters to non-zero values. This behavior is intended to be helpful to the user who is setting up a fitting model, but may be confusing the user who is simply trying to visualize Feff's output. Look at the path pages and at the GDS window. This same issue was discussed back in September. 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