[phenixbb] R-merge and MOLREP
epozh001 at umaryland.edu
Wed Jul 13 07:09:43 PDT 2011
On Tue, 2011-07-12 at 21:53 -0400, Yuri wrote:
> I thought this R value is a bit high...
This has been discussed elsewhere and many times. The bottom line is
that elevated Rmerge should never prevent you from attempting to solve
the structure (especially if you have 40% identity model for MR).
Rmerge is related to data quality (e.g. will be higher for a split
crystal), but also depends on many factors that have nothing to do with
it (e.g. redundancy, near-translational NCS, etc).
It is quite astonishing that Manfred Weiss paper on this matter is
celebrating it's 10th birthday and it is still commonplace for many
(myself included) to report the Rmerge and not it's much more robust
"I'd jump in myself, if I weren't so good at whistling."
Julian, King of Lemurs
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