On 25/01/16 20:52, Keller, Jacob wrote:
> Dear Crystallographers,
>
> I seem to have an artistic situation on my hands: the decision between R and geometry.
>
> Refinement strategy A:
>
> R/Rfree: 0.084/0.156
> RMSbonds: 0.025
> RMSlengths: 2.1995
>
> Refinement strategy B:
>
> R/Rfree: 0.136/0.177
> RMSbonds: 0.003
> RMSlengths: 0.338
>
>
These are not numbers that I would normally use, but given no other
information other than this, I would choose strategy A as strategy B
seems rather over-restrained.
Regards,
Paul
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