[Ifeffit] Fitting XANES spectrun with standards (Adrien Couet)

adrien couet adrien.couet at gmail.com
Fri Jun 29 14:56:24 CDT 2012


Thanks for the quick answer Bruce.

I'll definetely take into account your point on the pre and post edge
ranges and I will check if it makes any changes in the normalization next
time I go to APS (in a few days actually).

Going back to the original question, I did select 8 standards for both
cases (single fit with "fit this group" and combination of fits with "fit
all combinations"), which gives me 247 combinations (see Excel file
attached).
In the case of the single fit I get a R-factor of 2.0x10-3 whereas for the
best fit from the combinations I got 1.8x10-3 (the weights of each
standards are also different in both cases).

I selected the whole range of the spectrum for the fit and forced the
weights to be equal to 1. The 8 standards are put in the following order in
the library:
Fe3O4(4), Pure Fe2O3, SM Fe in pure Zr metal, SM Fe in Zr-4 SPP, SM SA Fe
in Zr-4 matrix, Fe3O4(2), Fe2O3(4), Pure Fe (4).

I hope this is enough information for you to reproduce what I am doing.

Thanks again,

-- 
Adrien Couet
Graduate Student
Dept of Nuclear Engineering, Penn State University
+1 814 865 9709
axc1019 at psu.edu
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