Difference between revisions of "GSAS Refinement Hints"

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  Robert Von Dreele writes: (July 28, 2011)
  Robert Von Dreele writes: (July 28, 2011)
 
  Usually, I do the S4xx ones first & then the others. The thing is fairly stable after that.
  Usually, I do the S4xx ones first & then the others. The thing is fairly stable after that.
  Do do all of them at once in any case  in the end. The S4xx must be > 0 but the rest can be any sign.
  Do do all of them at once in any case  in the end. The S4xx must be > 0 but the rest can be any sign.

Revision as of 15:34, 29 July 2011

Profile Terms

GSAS Profile 4 anisotropy Sxxx terms

Re: the "best" order for incorporating profile 4 anisotropy Sxxx terms into a refinement?

Robert Von Dreele writes: (July 28, 2011)

Usually, I do the S4xx ones first & then the others. The thing is fairly stable after that.
Do do all of them at once in any case  in the end. The S4xx must be > 0 but the rest can be any sign.
If you want a quick way of seeing the shape, run mustrplot (spelling?) in GSAS; 
you'll need gnuplot to see the plot. For monoclinics, it might look like two beans back-to-back.
-Bob