[phenixbb] generate r free flags in phenix.refine not obeying high resolution limit?
Pavel Afonine
pafonine at lbl.gov
Wed Aug 20 09:23:07 PDT 2008
Hi Francis,
it is always the best to generate the free R flags for the whole dataset
and this is what phenix.refine does (I will have to double-check,
though). Because, for example, if you change your mind and later decide
to use more data, you will run into trouble with generating free R flags
for the rest of reflections for which you haven't done it in the beginning.
Also, phenix.refine generates free R that are evenly distributed over
the resolution, making sure that relatively thin resolution bins receive
enough of reflections (to assure correct ML estimations).
So, I don't see any problem here... Am I missing something?
Pavel.
On 8/20/2008 8:58 AM, Francis E Reyes wrote:
> Hi all
>
>
> When generating R-Free flags from phenix refine, flags are generated
> all the way to the limit of the data. However, shouldn't flags be
> generated up to the limit of the data if specified via
> refinement.input.xray_data.high_resolutio
> n ? If not, are the statistics for R/Rfree matching to high resolution
> data that may be suspicious ?
>
>
> Thanks
>
> FR
>
> ---------------------------------------------
> Francis Reyes M.Sc.
> 215 UCB
> University of Colorado at Boulder
>
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>
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