This may be a basic question, but a few google searches did not turn up anything helpful.
I am trying to deposit a structure, from data reduced with HKL2000 and solved and refined with Phenix. The data were scaled with the Anomalous option selected. For depositing, I upload the coordinates, the *_refine_data.mtz file from Phenix, and the *.log file from HKL2000 scaling. When I do this, the PDB deposition website complains on the Data Collection Statistics page that the "Number of unique reflections measured" (16343) "Has value < Total number of reflections refined against (see Refinement page) [23562]" When I open the original sca file in Phenix, I see: Number of Miller indices: 31365 Bijvoet pairs: 15030 What is the correct way to reconcile these numbers for the deposition? Thanks, - Igor Petrik, PhD P.S. I collected and processed the data 5+ years ago, and no longer have access to HKL2000. ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 This message was issued to members of www.jiscmail.ac.uk/CCP4BB, a mailing list hosted by www.jiscmail.ac.uk, terms & conditions are available at https://www.jiscmail.ac.uk/policyandsecurity/
