I'll update the CCP4 version of the dictionary
(ccp4/lib/data/cif_mm.dic). Thanks for the heads-up.
As you say, the workaround meanwhile is to edit the .cif file to
remove/change any offending lines.
Martyn
On Wed, 2010-03-03 at 11:24 +0000, Thomas Womack wrote:
> I notice that a fair number of PDB-deposited sets of structure factors
> in sf.cif format (fourteen of them in the March 2 2010 release)
> contain an _diffrn.detail line; this comes to my attention because
> ccp4-6.1.2's cif2mtz falls over when it encounters such a line and I
> have to edit the CIF manually to get it to continue.
>
> I have never observed this line to have a value other than '?'; is it
> known what software produces sf.cif files with this meaningless and
> problematic line in, and how to make it stop?
>
> http://mmcif.rcsb.org/dictionaries/mmcif_pdbx.dic/Categories/diffrn.html
>
> does not mention _diffrn.detail, although it offers an optional
> _diffrn.details line, and one example where that was used to describe
> a data-gathering protocol where exposure increased over time.
>
> Tom
--
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* Dr. Martyn Winn *
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