On Sunday 05 June 2005 13:55, Gerrit Schmithals wrote:
Supplement: In the meantime I found crystallographic data for iron carbide, but I was also able to produce an excellent fit with the method I described by merging in Athena. So I believe merging of reference substances in Athena can provide a quick way to simulate a mixture.
Gerrit, That is an interesting use of the importance thing that had not occurred to me. It's certainly fun to see people doing things with my software that I hadn't thought of. You might take a look at the linear combination fitting dialog, which can be found in the Analysis menu. You can make arbitrary combinations of standards as well as fit them to the data. I have put a lot of work into that part of Athena recently and would be glad about all the bugs that people will no doubt find ;-) Also, you were right about the bug in the edge step and fix step controls. It was a little tricky to find because it was dependent on the order in which you clicked things. It should be working correctly in the next release. B -- Bruce Ravel ----------------------------------- bravel@anl.gov -or- ravel@phys.washington.edu Environmental Research Division, Building 203, Room E-165 Argonne National Laboratory phone and voice mail: (1) 630 252 5033 Argonne IL 60439, USA fax: (1) 630 252 9793 My homepage: http://feff.phys.washington.edu/~ravel EXAFS software: http://feff.phys.washington.edu/~ravel/software/exafs/