[phenixbb] multi-xtal averaging vs twinning

Frank von Delft frank.vondelft at sgc.ox.ac.uk
Tue Jun 23 03:31:57 PDT 2009


Oh -- the argument being that it's not the phases that are twinned? 



Peter Zwart wrote:
> < snip >
>   
>> Or how *would* one approach this?
>>     
>
> Basic MR / refinement, guided by plain phenix.multi_crystal_average
> phases without anything special I guess ...
> (Like you indicate basically).
>
> Make sure that indexing between datasets is consistent (try something
> like phenix.xtriage native.sca reference.data.file=semet.sca).
> Lowish CC's can be explained by non-isomorphism issues as well as
> different twin fractions in different xtals.
>
> HTH
>
> P
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