Hi, I was wondering how phenix.refine decide the number of resolution bins in which it shows the refinement statistics (R-free, phase error...). In the case I'm working on it prints out only three resolution bins. Thanks d -- Daniele de Sanctis, PhD Macromolecular Crystallography Group ESRF, Grenoble, France Tel 33 (0)4 76 88 2869
Hi Daniele, the number of resolution bins is determined automatically to allow a significant number of test reflections per bin (that is enough to: - estimate ML parameters, - compute Rfree). The default value is "free_reflections_per_bin=140" which is found empirically (by running many refinement trying different values) to be the best. Pavel. On 12/10/2008 1:54 AM, Daniele de Sanctis wrote:
Hi,
I was wondering how phenix.refine decide the number of resolution bins in which it shows the refinement statistics (R-free, phase error...). In the case I'm working on it prints out only three resolution bins.
Thanks
d
participants (2)
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Daniele de Sanctis
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Pavel Afonine