[Ifeffit] Error in N (Number of Scatterers)
Carolyn Carr
ccarr at chem.umass.edu
Wed Mar 9 14:06:43 CST 2016
Hello Mailing List,
I have read papers describing that EXAFS has an error regarding N the
number of scatters of +/- 20%. The only original reference I can see to
support this is "The effect of statistical noise on structural
parameters in EXAFS data analysis" by L. Incoccia, S. Mobilio (1984, Il
Nuovo Cimento D). However, in the more recent D. C. Koningsberger review
"XAFS spectroscopy; fundamental principles and data analysis" (2000,
Topics in Catalysis) he cites an error of 5% for N (although the paper
cites slightly varying error for different absorber-scatterer pairs).
Several months ago, I wrote to the mailing list regarding the difference
of fitting in R- and k-space in Artemis and received several responses
revealing that some comments made in the Koningsberger review are no
longer valid in Artemis. In my literature search, I did not find
additional papers describing the error inherent in N when fitting in
Artemis. Since the paper cited by Koningsberger (X-ray-absorption
fine-structure standards: A comparison of experiment and theory, G. G.
Li, F. Bridges, and C. H. Booth, Physical Review B, 1995) utilized Feff6
for their theoretical standards and so does Artemis, is the error in N
still the same? I was wondering if there is some literature that I have
missed, or if the developers of the Demeter package can shed some light
on this issue.
Thank You,
Carolyn Carr
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