[GSAS-II] Simulated Data Sets

[Toby, Brian H.]

Caleb,

  You are correct that this needs a tutorial — someday! The process of simulating a pattern is similar to setting up a refinement. However, for a dataset, on the import/powder data menu you will see a simulate option.

   You probably will want to keep the histogram instrument and sample parameters unchanged from their defaults, but will want to change the ones on the Phase/Data tab.

  There is no powpref in GSAS-II. Use the Calculate/Refine option to compute the simulated pattern.

Brian

On Sep 8, 2014, at 1:56 PM, Caleb Hustedt <chustedt at gmail.com<mailto:chustedt at gmail.com>> wrote:

Hi,

I am new to both GSAS and GSAS-II. I am trying to simulate an x-ray dataset for textured Magnesium. I know how to create a simulated dataset in GSAS using POWPREF and GENLES. However, I do not know how to simulate a dataset in GSAS-II or where the corresponding options are for POWPREF or GENLES. How do you simulate a diffraction pattern using GSAS-II? Is there any good documentation that I missing? Any help would be appreciated.

Thank you,

Caleb Hustedt

--
Caleb Hustedt
Ph.D. Candidate
Department of Materials Science and Engineering
Johns Hopkins University
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