phenix.refine & twin fraction
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Dear all, Can onyone tell me how to introduce twin fraction to the refinement parameters? According to phenix.xtriage it should be 0.4 but phenix.refine uses 0.2. Thanks a lot, Karolina -- *********************************** Karolina Michalska, PhD Dept. of Crystallography Faculty of Chemistry A. Mickiewicz University ul. Grunwaldzka 6 60-780 Poznan, Poland ***********************************
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Hi,
xtriage estimates a twin fraction, but phenix refines it. Currently
there is no user friendly way to fix a twin fraction.
In 99% of the cases, you would like to refine a twin fraction though.
The estimation of a twin fraction can be complicated by rotational
pseudo symmetry and refinement will give you a better estimate.
HTH
Peter
2008/1/29, Karolina Michalska
Dear all,
Can onyone tell me how to introduce twin fraction to the refinement parameters? According to phenix.xtriage it should be 0.4 but phenix.refine uses 0.2.
Thanks a lot, Karolina
-- *********************************** Karolina Michalska, PhD Dept. of Crystallography Faculty of Chemistry A. Mickiewicz University ul. Grunwaldzka 6 60-780 Poznan, Poland ***********************************
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participants (2)
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Karolina Michalska
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Peter Zwart