[phenixbb] phenix.refine & twin fraction

Peter Zwart PHZwart at lbl.gov
Tue Jan 29 11:22:53 PST 2008


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 <dziuba at amu.edu.pl>:
> 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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