Re: Checkcif, CCDC

2023-10-07 Thread James H
What is required is an agreed list of tests to change/ignore. The full list of CheckCIF tests is at: https://journals.iucr.org/services/cif/datavalidation.html (note also prefilter). I'd suggest that any volunteers from here simply make a list the tests that don't apply for powder diffraction. A st

RE: Checkcif, CCDC

2023-10-07 Thread Dave Billing
Hi James and Peter Yes the commission has started working on this – we got a bit bogged down a while ago when we didn’t have many new powder related CIF files to test with. So yes please if you, (or anyone else) have a problem case please contact myself – and we can take it up Thanks in advan