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
