[phenixbb] R/ R free (overall) and R/Rfree (for highest resolution shell)

Pavel Afonine pafonine at lbl.gov
Mon Jan 26 13:20:59 PST 2015


Hi George,

this can happen. If you were refining against reflections from that 
shell only I'm sure Rfree would be greater than Rwork. I'm not sure how 
to make sense of comparisons Rfree vs Rwork calculated per resolution shell.

Pavel

On 1/26/15 1:05 PM, George Devaniranjan wrote:
> Hi,
>
> I calculated/validated several PDB structures in Phenix.Validation (GUI)
>
> The R/R-free (overall) is
>
> 0.1271/0.1348
>
> Further down I looked at the R/R-free for the highest resolution shell.
>
> Its 0.2538/0.2446
>
> I am curious why the R-free for the *_highest resolution shell_* seems 
> to be LOWER than R (work).
>
>
> Am I reading the information wrong?
>
> PDB: 3QL9
>
> Thank you,
> George
>
>
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