Everything a run determines went to stdout and nowhere else. The space group and the evidence behind
it, the error model, the post-refine commit-or-reject decisions and their held-out residuals, the
two-pass adopt-or-roll-back, the resolution cut, the merging statistics - all of it scrolled past
interleaved with progress lines and was gone. A user who was not watching had no record, and nothing
could read it. `rugnux` had no log file at all; the `rugnux.log` in the regression harness is that
harness capturing stdout.
Write `<prefix>_report.txt` alongside the .cif/.mtz/.hkl, always, with no option to ask for it. It
holds what the run DETERMINED; timing, rates, per-image progress and engine chatter stay on stdout,
where they belong. Every line rugnux logs was classified result-or-process against the regression
corpus to decide what crosses over.
The format follows XDS's CORRECT.LP, which has been read by people and parsed by other programs for
twenty years: `KEY= value` assignment lines a script greps one at a time, fixed-width tables with
stable headers and a total row, `WARNING:` sentences in plain English, section banners. REPORT_VERSION
says when that interface last changed. It is assembled from results the pipeline already computed, so
an unconditional file costs nothing, and a failure to write it is logged and swallowed - a run that
produced good reflections must not be lost to a side file.
One thing CORRECT.LP does not have to solve: a rotation run integrates twice and writes both passes,
so every report says which pass it describes and why that pass was adopted.
`--no-merge` gets a report too, saying MERGE= NOT_PERFORMED rather than leaving a reader to infer it
from absent sections. An empty output prefix still writes nothing.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
leonarski_fandClaude Opus 5
e5c0066129