Caleb,
I'd only add that GSAS-II makes simulated patterns the same way as GSAS
in that you need to choose a scale factor (see Sample Parameters) and
suitable background (see Background). A bit of trial & error might be
needed to get something sensible. NB: do set the number of cycles=0;
otherwise GSAS-II will refine to your simulation!
Bob
On 9/8/2014 2:27 PM, Toby, Brian H. wrote:
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 <chust...@gmail.com
<mailto:chust...@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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