From the code review of the writer, API and geometry work.
The powder calibration's re-bin accept test was one-directional. The best-of fold
twelve lines above it is symmetric on purpose - a fit that is not a measurement
never beats one that is, whatever its residual - but the final test applied the
residual clauses regardless, so a CONVERGED re-fit could lose to a non-converged
first pass on rms alone. That is exactly the motivating case: a first pass that
declined the tilt and pinned the header's. It now matches the fold.
The anisotropy warning seeded max_element and min_element on an array that can
hold NaN, and every comparison against NaN is false, so both returned the same
entry and the sentence named one direction twice with nan for both limits. The
non-finite entries are skipped, and where fewer than two directions have a limit
the warning states the anisotropy without naming one.
The grid-scan plot added a SIGNED half-step to a grid laid out in |step|, so with
a negative step every cell centre landed one whole step outside the extent - the
same family as the snake-parity fix, in the same configurations.
And one guaranteed no-op: /entry/MX/imageScaleFactor was written twice.
Changelog: the short-axis pass had no entry at all, and the mmCIF one carried its
rationale.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
leonarski_fandClaude Opus 5
ab4a89e0a9
