Both merged formats hit the same refusal - the file carries the mean and the
Bijvoet pairs - but the label vocabularies differ per format and the MTZ
incantation fails on the mmCIF with a fresh error. Give both measured
commands, and say it is one behaviour in two formats, not a difference
between our files.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01EFEJG6WBQv8th4UJFNe53N