[phenixbb] Twin Refinement in P 1 21 1

Ralf Grosse-Kunstleve rwgrosse-kunstleve at lbl.gov
Tue Sep 27 08:47:58 PDT 2011


When we compute the lattice symmetry a certain tolerance is used
(lattice_symmetry_max_delta=5).
If you run

iotbx.lattice_symmetry --delta=5 --unit-cell=...

with your P21 unit cell you can check if it comes up with the orthorhombic
lattice symmetry.
Assuming that's OK, yes, you should be fine.

Ralf

On Mon, Sep 26, 2011 at 7:33 PM, Yuri <yuri.pompeu at ufl.edu> wrote:

> So in other words, if I input the reflection and the space group as P 1 21
> 1 (lower symmetry vs the initially attempted C 2 2 21), and I specified the
> operator in the refinement parameters
> I should be ok, right?
>
> Thank you
>
> --
> Yuri Pompeu
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