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

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