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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