Dear all, thanks to all who answered. Gemmi and uniqueify did not help, "Export MTZ" from the toolbar did. "Merge experimental data objects to MTZ" from "Export and Deposition" did not help me.
I think, it's not the programs, though. The problem now seems to me the missing Fs. "Export MTZ" seems to convert to Fs without asking. Trying to upload Iplus and Iminus only for validation (or deposition) did not work. I thought it would be better (closer to the experimental data) to use I instead of F, and therefor intentionally tried to deposit Is only. Is it really obligatory to deposit F? Wouldn't it be better to deposit I instead of F? Greetings Gottfried Am Freitag, den 09-02-2024 um 23:39 schrieb Jon Cooper: >From your refmac refinement job in i2, this should give you the combined mtz? test.jpg Best wishes, Jon Cooper. jon.b.coo...@protonmail.com Sent with Proton Mail [1] secure email. On Friday, 9 February 2024 at 17:54, Palm, Gottfried 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 ------------------------- To unsubscribe from the CCP4BB list, click the following link: https://www.jiscmail.ac.uk/cgi-bin/WA-JISC.exe?SUBED1=CCP4BB&A=1 Links: ------ [1] https://proton.me/ ######################################################################## 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/
