On Thursday 30 October 2003 07:20 pm, Dave Baker wrote:

I'm interested in extracting coordination numbers from the S02 parameter in Artemis, and, as the beginner, I'm lost as to what to do. I am using two FEFF paths to describe the first shell, and have given each path its own S02 parameter. Any suggestions?

There is some useful information from the mailing list archives on this topic. Go to my bug reports page: http://leonardo.phys.washington.edu/~ravel/software/exafs/bugs.html and look for the "Common Q&A" box on the left side. Question #2 is relevant. Another useful resource might be Chapter 10 from this document http://leonardo.phys.washington.edu/~ravel/course/notes.pdf It suggests one simple strategy to the problem of two different scatterers in the first shell. In short, just throwing two separate amplitude parameters at the problem in hopes that the numbers fall out to be physically interpretable is probably not the best strategy. You want to think of some way to constrain the amplitude parameters for those two paths in such a way that embodies the proper physics of the problem. Once you've read over that material, don't hesitate to ask new questions to the list. B -- Bruce Ravel ----------------------------------- ravel@phys.washington.edu Code 6134, Building 3, Room 222 Naval Research Laboratory phone: (1) 202 767 5947 Washington DC 20375, USA fax: (1) 202 767 1697 NRL Synchrotron Radiation Consortium (NRL-SRC) Beamlines X11a, X11b, X23b National Synchrotron Light Source Brookhaven National Laboratory, Upton, NY 11973 My homepage: http://feff.phys.washington.edu/~ravel EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/