[Cod-bugs] COD conversion with HighScore

Saulius Gražulis grazulis at ibt.lt
Sat Jan 11 16:30:52 EET 2020


On 2020-01-08 18:22, Thomas Dortmann wrote:
>    This is the biggest group of CIFs generating warnings during the conversion: 123.717 warnings

One more note:

during the processing of the files from your list, I get a number of
warnings about non-numeric values (e.g. "Argument "0.05147(16" isn't
numeric ...") when computing Ueq. There are 101 such warnings in my logs.

This is a correctable bug in COD CIFs (mostly introduced by the original
publication...); we plan to fix them all systematically since such typos
are spotted by our new validator :).

Regards,
Saulius

-- 
Dr. Saulius Gražulis
Vilnius University Institute of Biotechnology, Saulėtekio al. 7
LT-10257 Vilnius, Lietuva (Lithuania)
fax: (+370-5)-2234367 / phone (office): (+370-5)-2234353
mobile: (+370-684)-49802, (+370-614)-36366

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