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

[Tim Gruene]

Dear George,

you may also want to take into account that the variation of Rfree is
estimated as Rfree^2/k, where k is the number of reflections in the
shell. If you only have e.g. 100 reflections there, this might simply a
statistical fluctuation, as far as I understand.

Cheers,
Tim

On 01/26/2015 10:05 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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-- 
Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen

GPG Key ID = A46BEE1A

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