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
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
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 ______________________________**_________________ phenixbb mailing list [email protected] http://phenix-online.org/**mailman/listinfo/phenixbbhttp://phenix-online.org/mailman/listinfo/phenixbb
participants (2)
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Ralf Grosse-Kunstleve
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Yuri