On Wednesday 18 October 2006 12:00, Silvio Levy wrote:
Bruce - thanks a lot for your post. I've encountered this bug a few times, but I thought it might be a problem with my machine; in any case I could never replicate the problem and file a bug report.
Silvio, The workaournd in the FAQ is not thoroughly tested, but I am pretty confident. If you still see the problem, let me know in personal email and I can give you a copy of the next version of Athena to try. As for the spike at low-k -- I dispute that the normalization is effected. The nromlaization is betwermined not using the background function but by regressing a line to post-edge region. That said, you most certainly have a spike at low k. I think the situation improves somewhat (without changing chi(R) significantly since the FT range starts at 2.5 in your project file) by making the lowr bound of the spline range 0 AA^-1 and making the k-weight for background removal equal to 2. And, of course, what Shelly said about using a standard is an excellent idea. B -- Bruce Ravel ---------------------------------------------- bravel@anl.gov Molecular Environmental Science Group, Building 203, Room E-165 MRCAT, Sector 10, Advanced Photon Source, Building 433, Room B007 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://cars9.uchicago.edu/~ravel EXAFS software: http://cars9.uchicago.edu/~ravel/software/exafs/