Dr. Kicaj,
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
On Tue, Feb 19, 2013 at 10:57 AM, "Dr. Dariusz A. Zając"
Hi,
could you check if the same error appears if you give the Rmax of, let's say, 8A or even 6.5A? For higher R, the paths sometimes does not look like a single "gaussian" peak, but has some kind of "satellites". You have to also remember that each path consists of the real and imaginary part.
Regards kicaj
W dniu 13-02-19 16:42, Devender pisze:
Hi,
I am trying to fit Bi2Te3 exafs data using artemis. I am able to fit first shell (screenshot of fit is attached, I have also attached 'atoms' and 'feff' files for reference) but when I am trying to include second shell, I am getting the error (attached file- Fit_error.log). Error reads that- "The R effective for this path is well beyond the rmax value of its Data object." but I am already using Rmax of 6 A and Reff of these path are less than 5 A in my fit. I will appreciate if anyone can guide me or point me where I am making mistake.
Regards, -- Devender Graduate Student, Materials Science and Engineering Rensselaer Polytechnic Institute, Troy, NY Website https://sites.google.com/site/devendermaun/
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-- Devender Graduate Student, Materials Science and Engineering Rensselaer Polytechnic Institute, Troy, NY Website https://sites.google.com/site/devendermaun/