[GSAS-II] Simulated Data Sets

[Robert Von Dreele]

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 <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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>
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