[phenixbb] ncs

Pavel Afonine PAfonine at lbl.gov
Mon May 4 18:25:44 PDT 2009


Hi Maia,

- I'm wondering why this puzzles you?

- The gap Rfree-Rwork seems suspiciously small, although I can't tell 
without knowing the resolution.

- Overall, better R-factors (Rwork, Rfree and Rfree-Rwork) mean that 
among many possible refinement strategies you have chosen the one that 
is better than the others.

What is the resolution?
What are the R-factor  before using NCS?
What will be the R-factors after you turn NCS back off?

Pavel.


On 5/4/09 12:27 PM, Maia Cherney wrote:
> Hi everybody,
> I am wondering why my final structure refined with NCS=True has lower  R 
> factors (19.2% and 21.2%) than without NCS by approximately 1.5%.
>
> Leo
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