Dear Gottfried, is there any error message when uploading I+/I- fails? Many entries in the PDB have only intensities (for example, 7bb9 has only I+/I-), so it must be possible unless something has changed recently.
Best, Marcin On Mon, Feb 12, 2024 at 11:54 AM Palm, Gottfried < 0000b793af054fc6-dmarc-requ...@jiscmail.ac.uk> wrote: > 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? > > [image: test.jpg] > > Best wishes, Jon Cooper. > jon.b.coo...@protonmail.com > > Sent with Proton Mail <https://proton.me/> secure email. > > On Friday, 9 February 2024 at 17:54, Palm, Gottfried < > 0000b793af054fc6-dmarc-requ...@jiscmail.ac.uk> 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 > > > ------------------------------ > > 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/
