The four Diamond I19 small-molecule datasets had no reference of any kind, so a run
on them could not be scored at all. Three now have one, each from a published
structure with its DOI verified against Crossref; the fourth has a published space
group but no numeric cell anywhere, which is recorded as such.
Also removes the "obtained but not in the table" section. That dataset is stored as
CCD TIFFs the reader does not support, so it is not processed here and adds nothing
to a page about what the test corpus contains.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N
leonarski_fandClaude Opus 5
756c3a22bb
