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Changelog: say what the anisotropy sort actually cost

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It was about eleven seconds on the largest sweep, not minutes.

Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_01CHMmeM1d489zvNFT7ZMN2P
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2026-08-26 12:54:05 +02:00
co-authored by Claude Opus 5
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@@ -15,7 +15,7 @@ This is an UNSTABLE release. It includes many experimental features, as well as
* rugnux: on rotation data the integration signal radius is set from how wide the crystal's own spots are, measured in the pre-scan, instead of the fixed 4 px; `--adaptive-integration-radius=off` restores the fixed radius, and an explicit `--integration-radius` still overrides both.
* rugnux: the spot-width pre-scan stops once the integration radius it is measuring has settled, instead of always working through the whole sample; the radius it chooses is unchanged.
* rugnux: on stills the integration background ring runs to 14 px instead of 12, so fewer reflections are discarded for want of a background ring and per-shell R_meas improves over most of the signal-bearing range; the gain reverses in shells below <I/sigma> of about 4.
* rugnux: the anisotropy diagnostic no longer spends minutes sorting at the end of a large rotation run; the run finishes around 10% sooner and reports the same numbers.
* rugnux: the anisotropy diagnostic no longer sorts every integrated partial at the end of a rotation run; a large sweep finishes around 10% sooner and reports the same numbers.
* rugnux: the space-group search decides whether a reflection is genuinely present from its counting significance rather than from the merged I/sigma, which saturates at the merge's own ISa; the cut now means the same thing on a weak crystal as on a strong one, and the quantile fallback that used to paper over it is gone.
* rugnux: a directional diffraction limit that is the edge of the measured data rather than the crystal's own limit is marked as such - with a `<` in the report and in `ANISOTROPY_D_MIN_CENSORED`, and in the mmCIF - so `ANISOTROPY_D_MIN_SPREAD` is not read as a measurement when it is a lower bound.
* rugnux: the anisotropy verdict line names which of `ANISOTROPY_DELTA_B` and `ANISOTROPY_DELTA_B_LINEAR` it is quoting, says which of the two to act on, and says why the second can be the larger.