Difference between revisions of "GSAS Refinement Hints"
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GSAS Profile 4 anisotropy Sxxx terms | GSAS Profile 4 anisotropy Sxxx terms | ||
Re: the "best" order for incorporating profile 4 anisotropy Sxxx terms into a refinement? | |||
Usually, I do the S4xx ones first & then the others. The thing is fairly stable after that. | 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. | 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; | 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. | you'll need gnuplot to see the plot. For monoclinics, it might look like two beans back-to-back." | ||
-Bob | -Bob | ||
Latest 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
