convert ab initio model back into pair distribution function

Frequently Asked Questions about ATSAS small-angle scattering analysis program package
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Lewis90
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Joined: 2013.10.10 06:18

convert ab initio model back into pair distribution function

#1 Post by Lewis90 » 2014.06.26 06:17

Hi all,

I am new to SAXS and am wondering if it is possible to back calculate models generated by gasbor etc back into pair distribution function to compare statistics Dmax etc rather than just superimposing the generated model over a reference structure?

Many thanks in advance,

Jacob

SaxsMax
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Posts: 342
Joined: 2007.08.03 19:16

Re: convert ab initio model back into pair distribution func

#2 Post by SaxsMax » 2014.07.16 11:18

One can use gasborp version which directly fits p(r).
The resulting *.hst file contains the comparison of the target
and computed distance distribution functions.

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