Thank you Tim and Pavel.
Sorry, just to follow up:
For the example I gave R /Rfree difference seems high. Can this still be
down to statistical fluctuations?
I am just trying to get a feel when we can simply put it down to
statistical fluctuations and when its a concern.
On Mon, Jan 26, 2015 at 4:26 PM, 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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