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Hi Ashima,

With these statistics you shouldn't have to worry about reviewers, it looks perfectly sensible. Actually I'm much more concerned about the recent epidemic of overly pessimistic resolution cutoffs. In our journal club at least half the papers have I/SigI in the highest resolution bin in the 3-6 range which means they could have gotten significantly higher resolution. There are situations where data quality is more important than resolution, for instance (anomalous) phasing, but I see the same with many native data sets.

It is not clear to me if people are placing the detector too far from the crystal and thus not even measure the highest resolution data or that they just elect not to process those data. Why??? To get nicer looking statistics???? That would be VERY bad practice!!!

A kinder view is that the detector distance is set based on the apparent resolution of the first image(s) which underestimates the true resolution of a high redundancy data set. If you don't need a long detector distance to resolve spots I prefer to select a distance where my visible diffraction uses the central 80-90% of the detector allowing mosflm to try to extract some sensible information from beyond what the eye can see.

This looks like something James Holton may have looked at. If so I'd be interested to hear if he or the elves have come up with a magic rule.

Bart

Ashima Bagaria wrote:
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HI all,
In regards to my CCP4 question about the acceptable Rmerge values in last resolution shell..various other parameters pertaining to the protein data at 3.5 A are

I/sigmaI = 13.1 (2.3)
%completeness = 95.7(96.8)
multiplicity = 3.8

All suggestions are welcome

Regards
ashima

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