Hi Bruce,
I tried that quickly, and no more error log! Fitting for second and third
shells is working. Appreciate your help and going over my files.
Freeze option really helps when I am trying to analyze systematic data like
doping, where I have added incremental amount of dopants, and want to
compare them together to notice changes without letting athena vary
parameters for different scans.
Regards,
Dev
On Wed, Feb 20, 2013 at 4:59 PM, Bruce Ravel
On Tuesday, February 19, 2013 11:47:25 AM Devender wrote:
I tried that too, went till 8 A, but it is still showing same error whereas R effective for second shell paths are 4.4 and 4.7 A. I have also attached athena file and artemis project file for my data for reference.
Dev,
I finally got to sit down and look at your problem in detail. I now appreciate why you are so confused.
In Athena, you used the "freeze group" feature. That's good. Frozen groups are an excellent way of making sure that you do not accidentally change something you don't want changed. I am glad you are using that feature of Athena and I encourage you to continue doing so.
Unfortunately, in Artemis, I did not take care to unset the flag that freezes a group. When you attempted to change the value of Rmax for the fit, as Darek, Chris and I were suggesting, it didn't work because I had forgotten to have Artemis unset that flag freezing the data group. Oops!
I have already fixed this problem and this fix will be in the ne4xt release.
As the immediate work-around, what you should do is open Athena, untick the "freeze" button for the data you want to analyze, save the Athena project file, then re-import the data into Artemis. Afterwards, I think you will find that changing the Rmax value will have the effect that we were talking about.
Thank you for bringing this problem to my attention. It's a very serious problem that needs to be fixed. And now it will be!
Cheers, 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 _______________________________________________ Ifeffit mailing list Ifeffit@millenia.cars.aps.anl.gov http://millenia.cars.aps.anl.gov/mailman/listinfo/ifeffit
-- Devender Graduate Student, Materials Science and Engineering Rensselaer Polytechnic Institute, Troy, NY Website https://sites.google.com/site/devendermaun/