Note that G2 does offer a tool for transforming coordinates from origin 1 settings to origin 2, where both exist.
Brian On Oct 20, 2017, at 8:12 AM, Ivo Alxneit <ivo.alxn...@psi.ch<mailto:ivo.alxn...@psi.ch>> wrote: 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@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 _______________________________________________ GSAS-II mailing list GSAS-II@mailman.aps.anl.gov<mailto:GSAS-II@mailman.aps.anl.gov> https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii -- 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/ _______________________________________________ GSAS-II mailing list GSAS-II@mailman.aps.anl.gov<mailto:GSAS-II@mailman.aps.anl.gov> https://mailman.aps.anl.gov/mailman/listinfo/gsas-ii
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