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Well - i would always do the final refinement to the highest resolution with CC1/2 > 0.5

There may be other problems with the data  - completeness low for current standards ..
Does multiplicity fall off with resolution etc?
Is there considerable anisotropy?

both sets of R factors look surprisingly high.. but see above for possible reasons..

Eleanor


On Fri, 5 Jul 2019 at 14:49, Sam Tang <[log in to unmask]> wrote:
Dear all

Hello again

Thanks a lot for the numerous input. 

I received a dataset which was processed to 2.4A but refined to 3A -- this was the background I raised this question in the first place. Then I looked at the aimless statistics. At 2.4A the high resolution bin CC1/2 0.626, I/sigI 2.0, Completeness 84.6, Multiplicity 1.7 (P1 spacegroup).  I suspect the reason for the refinement resolution limit to be set at 3 A was simply due to better Rw/Rf (0.236/0.294 at 3A; 0.284/0.341 at 2.4A).

Based on these information am I justified to say that data quality at 2.4 A was suboptimal? In this case do you think refining at a (much) lower resolution is acceptable?

Best regards

Sam

On Fri, 5 Jul 2019 at 13:43, Sam Tang <[log in to unmask]> wrote:
Hello everyone

Sorry for a naive question. Is there any circumstances where one may wish to refine to a lower resolution? For example if one has a dataset processed to 2 A, is there any good reasons for he/she to refine to only, say 2.5 A?

Thanks!

Sam Tang


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