Dear Matthias, I have the impression that you have set FRIEDEL'S_LAW= FALSE in your input, which means that CORRECT will print the anomalous completeness. If you plan to solve your structure with molrep, you can set FRIEDEL'S_LAW= TRUE, which should give a much better completeness.
Best, Herman -----Ursprüngliche Nachricht----- Von: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> Im Auftrag von Matthias Oebbeke Gesendet: Montag, 25. November 2019 14:12 An: CCP4BB@JISCMAIL.AC.UK Betreff: [EXTERNAL] [ccp4bb] Xray-dataset usable despite low completeness ? EXTERNAL : Real sender is owner-ccp...@jiscmail.ac.uk Dear ccp4 Bulletin Board, I collected a dataset at a synchrotron beamline and got the statistics (CORRECT.LP) after processing (using xds) shown in the attached pdf-file. Do you think this dataset is usable, due to its low completeness? As you can see in the attached file the completeness is just 50% in the highest resolution shell, whereas the I over Sigma is above 2 and also the CC 1/2 (80%) and the R factors (36.8%) have reasonable values. Furthermore the overall statistic are good regarding R factor, CC 1/2 and I over Sigma. The only problem seems to be the completeness. If I would set the cut-off at a lower resolution to get good completeness, I would throw away nearly half of my reflections. I'm happy to here your opinion. In Addition to that: The space group is orthorhombic and the dataset was collected over 120° using fine slicing (0.1°). Best regards, Matthias Oebbeke -- Matthias Oebbeke, M.Sc. Research Group of Professor Dr. G. Klebe Institute of Pharmaceutical Chemistry Philipps-University Marburg Marbacher Weg 6, 35032 Marburg, Germany Phone: +49-6421-28-21392 Mail: oebbe...@staff.uni-marburg.de https://urldefense.proofpoint.com/v2/url?u=http-3A__www.agklebe.de&d=DwIFaQ&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=idNV-Xu_XhSkWahyKK2ZqOTTVW-7hP4GKDQPejES6IM&s=5Ps7mkyXKGh0MHcdE62BdDx-glNcjfkXJ0hyAzzND-c&e= ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://urldefense.proofpoint.com/v2/url?u=https-3A__www.jiscmail.ac.uk_cgi-2Dbin_webadmin-3FSUBED1-3DCCP4BB-26A-3D1&d=DwIFaQ&c=Dbf9zoswcQ-CRvvI7VX5j3HvibIuT3ZiarcKl5qtMPo&r=HK-CY_tL8CLLA93vdywyu3qI70R4H8oHzZyRHMQu1AQ&m=idNV-Xu_XhSkWahyKK2ZqOTTVW-7hP4GKDQPejES6IM&s=Ksplli-kEsZJ6T6bhF7lJM1R62W3v7dG4bYWSqs1L98&e= ######################################################################## To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/webadmin?SUBED1=CCP4BB&A=1
