[Ifeffit] How do I create a histogram based on R-space values

Matt Newville newville at cars.uchicago.edu
Wed Dec 9 16:33:35 CST 2020


Deepak,

The data files you sent appear to be plots of XAFS |chi(R)|, including
offsets for the plotting.  That is certainly a reasonable visualization to
make for EXAFS data and Demeter can make those easily.

But |chi(R)| is not a histogram of the number of atoms as a function of
distance.  That is sort of all of "EXAFS analysis" and unfortunately there
is not a simple transform that converts |chi(R)| into g(R).   I recommend
looking at some of the on-line resources and books and review articles on
EXAFS.

Cheers,

--Matt
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