[phenixbb] Rwork > Rfree

Tim Gruene tg at shelx.uni-ac.gwdg.de
Fri Nov 21 07:55:04 PST 2014

Dear Bishal,

you may have very few reflections in each bin so that Rfree per bin
varies a lot, i.e. you may simply be observing the effect of noise. I
would not worry - why do you look at Rfree per bin at all - what
information do you expect from this? It is unlikely that you overfit
your data in one resolution shell but not another one.


On 11/20/2014 03:52 PM, Singh, Bishal wrote:
> Hello everybody,
>  While depositing a structure in PDB, I observed that Rwork was more than Rfree in the highest resolution shell and in a few more shells as well. I shall be delighted if somebody can suggest me the reasons and also what should I do now. 
> With regards,
> Bishal
> PhD student,
> DKFZ, University of Heidelberg, Germany
> _______________________________________________
> phenixbb mailing list
> phenixbb at phenix-online.org
> http://phenix-online.org/mailman/listinfo/phenixbb

Dr Tim Gruene
Institut fuer anorganische Chemie
Tammannstr. 4
D-37077 Goettingen


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