The refined geometry is no longer written as a whole p_XDS.INP (and the
report's XDS_INPUT= key is gone). Instead the report carries one section,
XDS GEOMETRY KEYWORDS, with the XDS.INP keywords that carry the geometry the
result was integrated at: ORGX/ORGY (PONI, 1-based), DETECTOR_DISTANCE, the
detector axes where the detector is tilted, INCIDENT_BEAM_DIRECTION with
X-RAY_WAVELENGTH, and ROTATION_AXIS in XDS's sense (rugnux's axis negated,
as verified with XDS IDXREF). No cell or space group: XDS determines those.
The lines carry a "# XDS.INP> " prefix, so sed lifts them ready to paste.
The same keywords were logged by LogXDSGeometry at the start of every pass,
with the axis in rugnux's sense; that printing is removed, so the report
section is the one place they are stated. Docs updated (RUGNUX_REPORT,
RUGNUX_INTEGRATION, RUGNUX, RUGNUX_TUTORIAL).
Output only; p.mtz md5-identical on 3 battery sets.
Co-Authored-By: Claude Opus 5.5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01SVmAWnzCmRKAXVUCdc4iNi
leonarski_fandClaude Opus 5.5
c0bcf1a7a9
