Add _diffrn_detector.jfjoch_{distance_mm,beam_center_x_pxl,beam_center_y_pxl} to
the merged mmCIF header, as feedback of the geometry the data was actually
reduced with. When geometry refinement ran (the rotation two-pass or the stills
global refinement, which update experiment_ before the written pass) these are
the refined values; otherwise they are the nominal header geometry.
Co-Authored-By: Claude Opus 4.8 (1M context) <noreply@anthropic.com>
leonarski_fandClaude Opus 4.8
f396385e11