Sanity check: Please check that the number of the reflections in the .mtz file is the same as in the .sca file. Please check that the cell dimensions in the MTZ file are the same as in the header of the .sca file
If that's true, and it probably is, then this is a general issue with SCALEPACK - it appears to apply the resolution cut on cell dimensions from the .x files (possibly the first one) that then can differ significantly from the post-refined cell dimensions. Somewhat rarely it shows up as a large effect, as here, but the major issue is that the resolution values in SCALEPACK are inaccurate. Of course you still want scaling stats - perhaps try to integrate with the cell dimensions fixed to the post-refined values. Or switch to XDS. Phil Jeffrey Princeton ________________________________ From: CCP4 bulletin board <CCP4BB@JISCMAIL.AC.UK> on behalf of Vatsal Purohit <vpur...@purdue.edu> Sent: Thursday, September 24, 2020 5:40 PM To: CCP4BB@JISCMAIL.AC.UK <CCP4BB@JISCMAIL.AC.UK> Subject: [ccp4bb] Resolution cutoff in CCP4 Hi everyone, I’ve been having an issue with the CCP4 program scatomtz to convert .sca generated from HKL2000 into .mtz. While my resolution cutoff in HKL2000 is higher (~ 2.0 A), this program cuts it off at 2.2 A even if I set a higher resolution limit in this program. Has anyone else experienced this? Any ideas on how to deal with this issue would be appreciated! Regards, Vatsal Sent from Mail<https://go.microsoft.com/fwlink/?LinkId=550986> for Windows 10 ________________________________ To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 ######################################################################## 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/
