The question you should ask yourself is "why would omitting data improve my model?"
Phil On 27 Aug 2013, at 02:49, Emily Golden <10417...@student.uwa.edu.au> 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
