[GSAS-II] Fourier difference maps
Daniel de Almeida, Matias
ma2443 at njit.edu
Wed Aug 10 10:33:36 CDT 2022
Hello,
I am looking to determine an impurity that I have in my sample and am
looking into the fourier difference map functionality of GSAS 2. However I
was not able to find any tutorials of resources with more information about
all the information that the fourier map controls provides. I gather that
the delt-F function gives the difference in fourier map of the model and
the experimental dataset, but would like to know what other information is
possible to be obtained from it. Ideally aside from the atomic coordinates
of the impurities, if the elements present at those positions could be
given it would help my search for the impurity greatly.
I appreciate any resources or help that you can provide.
respectfully,
Matias
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