That looks good to me Mean(I/sigma) = 2.0, CC1/2 0.74 See endless discussions on this BB about the uselessness of Rmerge as a resolution criterion
Phil On 2 Jun 2014, at 09:27, sreetama das <[email protected]> wrote: > Dear All, > What are reasonable values of Rmerge in the outermost > resolution shell? > > Some of the recent discussions suggest going to those sheels where <I/sig(I)> > ~2 and CC1/2 = 0.5. But I am getting Rmerge & Rmeas > 1 in the outermost > shell for those values of <I/sig(I)> and CC1/2, and I don't think that makes > any sense. Reducing the resolution cut-off while data reduction & scaling > (aimless) reduces the R-values, but I am not sure how much I should reduce > the resolution (if at all). > > Following are the results from the aimless log file: > At a resolution cut-off of 1.62A: > Overall InnerShell OuterShell > Low resolution limit 42.12 42.12 1.65 > High resolution limit 1.62 8.87 1.62 > > Rmerge (within I+/I-) 0.071 0.019 1.325 > Rmerge (all I+ and I-) 0.074 0.020 1.381 > Rmeas (within I+/I-) 0.078 0.021 1.446 > Rmeas (all I+ & I-) 0.077 0.022 1.441 > Rpim (within I+/I-) 0.031 0.009 0.575 > Rpim (all I+ & I-) 0.022 0.007 0.410 > Rmerge in top intensity bin 0.031 - - > Total number of observations 311022 1839 14876 > Total number unique 25311 184 1212 > Mean((I)/sd(I)) 19.2 52.7 2.0 > Mn(I) half-set correlation CC(1/2) 1.000 1.000 0.740 > Completeness 100.0 99.4 100.0 > Multiplicity 12.3 10.0 12.3 > > At 1.6A, the <I/sig(I)> and CC1/2 in the outermost shell are lower, and the > R-merge,meas,pim are higher. > > looking forward to your suggestions, > thanking you, > sreetama
