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On Wednesday 09 August 2006 01:22 pm, [EMAIL PROTECTED] wrote: > From the scale log file, I had about > 76000 total unique reflections and then, when I ran Refmac, suddenly > this number dropped to 72000. I checked the Refmac log file and sigma > cutoff was set as 'none'. I also checked several previous other data > sets in our lab, and I saw similar trends in other data sets. Any > suggestions will be welcome. (76000 - 72000) / 76000 = 5% which is suggestively close to the default fraction of the data reserved for Rfree. Are you sure you are comparing the total number of reflections, rather than the number contributing to Rwork? Quick test: Run mtzdmp on the *mtz files input to refmac and output by refmac. Do they agree on resolution limits, reflection count, etc, etc? -- Ethan A Merritt Biomolecular Structure Center University of Washington, Seattle WA
