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[ccp4bb]: free R in refmac 5
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Colleagues, I would like to invite your learned opinion on the following:
During the refinement of a 1.2A crystal structure I somehow (long story)
"lost/contaminated" my free reflection set. I attempted to help myself
by randomizing coordinates (average displacement 0.2A) and assigning a
fresh R free set. After that, the R factor starts off in the high 20%s
but in the process of refinement, the R and Rfree do not diverge while
dropping to approx. 16%. Have I rendered my cross validation meaningless?
Kind regards.
Wolfram Tempel
U. of Georgia