[phenixbb] multi-xtal averaging vs twinning

Peter Zwart phzwart at gmail.com
Tue Jun 23 00:55:39 PDT 2009


>
< 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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