This is an error that will be corrected; we'll also fix the source of
the problem so that it won't appear again.
Thanks to Tom Womack for bringing this to our attention.
Questions and comments for the wwPDB about data files and formats may
also be sent i...@wwpdb.org.
Christine
for the wwPDB
From: Thomas Womack <twom...@globalphasing.com>
Date: March 3, 2010 6:24:38 AM EST
To: CCP4BB@JISCMAIL.AC.UK
Subject: [ccp4bb] _diffrn.detail in PDB sf.cif releases
Reply-To: Thomas Womack <twom...@globalphasing.com>
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
