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Re: [ccp4bb]: Q: reduce size of Rfree set
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Laurent Maveyraud wrote:
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> Dear all,
> I refined a structure against data to 2.3 A, where the Rfree set
> included 2600 reflections (5 % of data). I now have data to a much
> higher resolution, and putting 5 % of data in the Rfree means 11000
> reflections, which is quite a lot. I would like to use a smaller
> fraction for the Rfree set (say 1 %). For this, I need only to keep 1
> every 5 reflections of the "low resolution" free set.
> Any hints on how I can do this ?
I guess you give the coordinates a bit of a "shake" as a way of
dissipating freeR influence then start again with a neww FreeR set.
You can do "shaking" in a variety of ways - the new pdbset has a
"NOISE" factor which shifts coordinates - there is something similar in
the arp-warp script, you can run simulated annealing - whatever..