[GSAS-II] wrong intensities in calculated speactrum

[Ivo Alxneit]

Dear all

thanks for the help. Yes it was the wrong origin.

On 20.10.2017 14:47, Ivo Alxneit wrote:
> Dear all
> 
> I am trying to fit my diamond standard. The pattern shows 111, 220, and
> 311. In the fitted pattern I see the 222 reflection (I100 about 2) that
> is forbidden and I100=0 for the allowed 220 peak. Data from the cif file
> attached.
> 
> my setup:
> 
> (gsas) alxneit at PC12348:$ gsas
> GSAS-II binary directory: /fast_home/alxneit/GSAS-II/bin
> 4 values read from config file /fast_home/alxneit/GSAS-II/config.py
> Python module versions loaded:
>   Python:      2.7.14
>   wx:          3.0.0.0
>   matplotlib:  2.0.2
>   numpy:       1.13.3
>   scipy:       0.19.1
>   OpenGL:      3.1.1a1
>   PIL.Image:   1.1.7
>   Platform:    linux2 64bit x86_64
> This is GSAS-II revision 3135
> 
> 
> 
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> 

-- 
Dr. Ivo Alxneit
Catalysis for Energy Group
Bioenergy and Catalysis Laboratory        phone: +41 56 310 4092
Paul Scherrer Institute                     fax: +41 56 310 2688
CH-5232 Villigen                      gnupg key: 0x515E30C7
Switzerland
https://www.psi.ch/ceg/

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