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
convert ab initio model back into pair distribution function
Re: convert ab initio model back into pair distribution func
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.
The resulting *.hst file contains the comparison of the target
and computed distance distribution functions.