The question you should ask yourself is "why would omitting data improve my model?"
Phil
On 27 Aug 2013, at 02:49, Emily Golden <[log in to unmask]> wrote:
> Hi All,
>
> I have collected diffraction images to 1 Angstrom resolution to the edge of the detector and 0.9A to the corner. I collected two sets, one for low resolution reflections and one for high resolution reflections.
> I get 100% completeness above 1A and 41% completeness in the 0.9A-0.95A shell.
>
> However, my Rmerge in the highest shelll is not good, ~80%.
>
> The Rfree is 0.17 and Rwork is 0.16 but the maps look very good. If I cut the data to 1 Angstrom the R factors improve but I feel the maps are not as good and I'm not sure if I can justify cutting data.
>
> So my question is, should I cut the data to 1Angstrom or should I keep the data I have?
>
> Also, taking geometric restraints off during refinement the Rfactors improve marginally, am I justified in doing this at this resolution?
>
> Thank you,
>
> Emily
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