I really enjoyed the recent discussion of ncs coupling and bias on ccp4bb, as usual. Although unlikely, the problem will be real in a significant number of cases. At this time there is sufficient computing power so that refinement calculations can be made with several different test sets. In this way a significantly coupled test set can be readily detected, because it will give a lower R value than the other test sets, and bias can be thus avoided. When the crystallographer is confident in the Rfree, he can be more confident in his maps as well, and this method could reduce the need for subjective judgements based on the maps and geometry.
This is not a nebulous problem, nor a merely statistical one, and to wit, I was wondering if anyone has written a program to exclude reflections near the ncs symmetry planes from the test set. It would be good to have the problem _eliminated_ in this way, so that extravagances such as that above will not be necessary. Regards, -- Michael L. Love Ph.D Department of Biophysics and Biophysical Chemistry School of Medicine Johns Hopkins University 725 N. Wolfe Street Room 608B WBSB Baltimore MD 21205-2185 Interoffice Mail: 608B WBSB, SoM office: 410-614-2267 lab: 410-614-3179 fax: 410-502-6910 cell: 443-824-3451 http://www.gnu-darwin.org/ Visit proclus realm! http://proclus.tripod.com/ -----BEGIN GEEK CODE BLOCK----- Version: 3.1 GMU/S d+@ s: a+ C++++ UBULI++++$ P+ L+++(++++) E--- W++ N- !o K- w--- !O M++@ V-- PS+++ PE Y+ PGP-- t+++(+) 5+++ X+ R tv-(--)@ b !DI D- G e++++ h--- r+++ y++++ ------END GEEK CODE BLOCK------
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