From thomas.a.munro at gmail.com Tue Mar 23 18:30:12 2021 From: thomas.a.munro at gmail.com (Thomas Munro) Date: Tue, 23 Mar 2021 17:30:12 +0100 Subject: [Cod-bugs] Undercounting of structure factors Message-ID: Hi, I?m a huge fan of your work. It?s tragic that the CCDC is still so closed-minded. I'm not a trained crystallographer, so I may have misunderstood this, but I notice that only a small fraction of COD entries are returned under the ?has Fobs? filter. This seems to refer to having a separate hkl file. But checking recent structures without one, I find that about half of them have the hkl data embedded in the cif. So I thought it might be useful for users to flag these as well, so that the filter would return many more examples. Presumably it would be straightforward to detect them with a regular expression, or even just by their much larger file size, and update the indexing. Just a thought! Keep up the good work. Cheers, Thomas -- This message has been scanned for viruses and dangerous content by MailScanner, and is believed to be clean.