[cctbxbb] "duplicate" cif categories

wtempel wtempel at gmail.com
Sat Jul 6 09:14:48 PDT 2019

wwpdb onedep recently rejected a file that I had manipulated (but not
validated, I admit) in IOTBX. The error was "duplicate categories", or a
similar complaint. I had added _reflns.* items related to data processing
to a phenix.refine cif file that already included
a _reflns.B_iso_Wilson_estimate. Merely running sort() on the relevant
block made the error go away, but who knows what side effects there may
have been. Does the CCTBX ecosystem provide some higher-level management of
cif categories?
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