simulated powder pattern using hkl file

ak

Hi,

I've been using Topas to generate simulated powder patterns by loading an *.xy file with intensities of zero, loading a cif file, and then running zero iterations ('iters 0' in the INP file).

I'm wondering, is there a way to do something similar with a SHELX hkl file, or a similar list of hkls and F2's, instead of a cif file?

thank you!

johnsoevans

If you use jedit then under the "miscellaneoud useful commands" there's a menu which writes a simple .inp file for simulating patterns.

John