From your refmac refinement job in i2, this should give you the combined mtz?

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Best wishes, Jon Cooper.
jon.b.coo...@protonmail.com

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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
>
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