Re: [ccp4bb] mtz/cif file for depostion

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 < b793af054fc6-

Re: [ccp4bb] mtz/cif file for depostion

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" see

Re: [ccp4bb] mtz/cif file for depostion

Dear Gottfried, after cad, you need to uniqueify -f FREER Hope this helps! Best wishes, Kay On Fri, 9 Feb 2024 18:54:25 +0100, 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, wit

Re: [ccp4bb] mtz/cif file for depostion

Hi, I would try https://project-gemmi.github.io/wasm/mxdepo.html It worked nicely for me recently. Marcin Wojder, who wrote this package, will be happy to help you, I'm sure. Good luck, Boaz Boaz Shaanan, Ph.D. Dept. of Life Sciences Ben-Gurion University of the Negev Beer-Sheva 84105 Israe

Re: [ccp4bb] mtz/cif file for depostion

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](https://proton.me/) secure email. On Friday, 9 February 2024 at 17:54, Palm, Gottfried

Re: [ccp4bb] mtz/cif file for depostion

Hello, there's a way to export all the columns in one file, rather than trying to deposit two mini-mtz's. The problem is remembering how when I'm away from the computer. It's one of the export options that you find when digging around a bit. Maybe it needs a right-click on one of the icons - bit