Re: [ccp4bb] Resolution Discrepancy in Data Set

2024-01-23 Thread Randy John Read
Hi, I think the point about an R-factor of 42% is a bit more subtle than it comes across in Martin’s reply. For random data without measurement errors (i.e. coming from a Wilson distribution of intensities), the expected R-factor for acentric data is something like 59%. The 42% in Evans & Mursh

Re: [ccp4bb] Resolution Discrepancy in Data Set

2024-01-23 Thread Martin Malý
Dear all, I am sorry for a late reply. R-values should not exceed 0.42 which happened in your case for shells 1.91-1.83 and 1.83-1.77. It is because theoretically (under some assumptions), a perfect model gives an R value of 0.42 against random data (Evans & Murshudov 2013 https://doi.org/10.1107/

Re: [ccp4bb] Resolution Discrepancy in Data Set

2024-01-17 Thread Pavel Afonine
Hi Liliana, a few things to consider: 0) There is a Phenix mailing list for Phenix specific questions (phenixbb); 1) Bin completeness depends on (obviously) how binning is done (number of reflections per bin or number of bins or binning in d^2 or d^3 spacing or log-binning etc etc etc) -- all of

Re: [ccp4bb] Resolution Discrepancy in Data Set

2024-01-17 Thread David Briggs
Hi Liliana, Two things leap out at me when I look at your data summary. (1) Your data probably do not go to 1.77Å. The CC1/2 in your outer shell is below any of the usual thresholds. There are discussions to be had about what the threshold is, but normally CC1/2 values of 0.5 or sometimes 0.3 a