Dear Gottfried, after cad, you need to
uniqueify -f FREER <from_cad.mtz> <for_deposition.mtz> Hope this helps! Best wishes, Kay On Fri, 9 Feb 2024 18:54:25 +0100, Palm, Gottfried <p...@uni-greifswald.de> wrote: >Dear all, > I have problems preparing my experimental data (XRD) for >deposition. I have two mtz files, which work well for refmac5, with an >FREER column in one file and Iplus, SIGIplus, Iminus, SIGIminus >columns in the second file. I merged them into one mtz file with cad >(in ccp4i). >The validation server doesn't take two separate mtz files, but >complains about missing data in the merged file. I guess because FREER >ended up in "Columns common to all datasets" and the other columns in >"Dataset #1: 356211/DEFAULT/NATIVE". >Can I somehow move the FREER column to Dataset #1? >With "Merge experimental data objects to MTZ Export 'old' style MTZ >file" in ccp4i2, the problem is the same. >I also tried converting to cif many ways, but failed. >I have used OneDep at EBI. > >Best Regards > Gottfried > >######################################################################## > >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/ > ######################################################################## 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/
