[mcstas-users] intercomparison between McStas and SIMRES

Jan Saroun saroun at ujf.cas.cz
Thu Aug 20 09:26:58 CEST 2009


Hello Peter,
you are right, the signs of take-off angles where really different for 
the two configuration: (1,-1) for  McStas and (-1,1) for Simres. Then 
also the details of the two peak profiles agree.
Regards,
Jan
Peter Willendrup wrote:
> Hello again,
>
>
> You are absolutely right Jan, attached is a version of the graph 
> parametrized by \delta\theta instead. The overall shape agrees quite 
> well - possibly there is a sign difference in \delta\theta, the slight 
> asymmetry in the side peaks seems opposite in the two graphs.
>
> Now for comparing intensity:
>
> The maximum reflectivity of the monochromator has been set to 0.265 in 
> Tom's instrumentfile, I would think this is a fairly low value?
>
> And in regard to the sample parameters, we tend not to trust the 
> listed F-squared in .laz input files too much. ( .lau ones can be 
> generated in Crystallographica and are usually in better agreement 
> with reality)
>
> Consequently,  I think that given the circumstances the agreement is 
> quite fair.
>
> Regards,
>
> Peter




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