rugnux docs: say which pass-1 files stopped being written, and which did not
"Only the refined pass is written" is true of the merged files and false of the process file: with --no-merge or --write-process-h5 each pass writes its own, so <prefix>_01_process.h5 is still there beside <prefix>_process.h5. Name the four files that did go, and the one that did not. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com> Claude-Session: https://claude.ai/code/session_01Y5XisyYxmF8mUEQjzpMRe2
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@@ -335,10 +335,12 @@ By default a rotation run also **post-refines the geometry** in a second pass: t
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integrates and merges at the header geometry, then the detector distance + beam centre and the crystal
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cell / rotation-axis are refined against the merged fulls (cross-validated, and committed only for a
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small < 1 % move, with the gauge-weak beam centre restrained toward the header), and the second pass
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re-indexes de novo and re-integrates at the refined geometry. Only the refined pass is written, as
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the canonical `<prefix>_*` output; the header-geometry pass merges only to choose the space group and
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to judge the refined pass against, and writes no merged files of its own. Disable it with
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`--rotation-no-postrefine`.
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re-indexes de novo and re-integrates at the refined geometry. The refined pass is the canonical
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`<prefix>_*` output; the header-geometry pass merges only to choose the space group and to judge the
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refined pass against, and writes no merged files of its own — no `<prefix>_01.mtz`, `.cif`, `.hkl` or
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`_01_image.dat`. (Where a process file is asked for at all, with `--no-merge` or
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`--write-process-h5`, each pass still writes its own, so `<prefix>_01_process.h5` appears beside
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`<prefix>_process.h5`.) Disable it with `--rotation-no-postrefine`.
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After the per-frame scale-fulls step, rotation scaling applies three **correction surfaces**, **on by
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default** (`--no-scaling-corrections` disables all):
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