Bragg integration: a shared signal pixel belongs to the nearer reflection
Nothing kept a neighbour's flux out of a reflection's own signal disk. The union mask keeps neighbour cores out of the BACKGROUND ring, but the r1 disk was read whole, so on a dense pattern a crowded reflection measures part of its neighbour as its own. Ownership is decided once per image into a per-pixel (quantised distance, reflection) key written with an atomic minimum, so the nearest predicted centre wins whatever order the writes arrive in and the lowest index breaks a tie. `--overlap exclude`, now the default, drops the pixels a nearer neighbour owns from the profile fit. A profile fit is the amplitude of a normalised profile, so leaving pixels out renormalises the estimator by construction and the reflection stays unbiased rather than being discarded; the summation-fallback guard is scaled back to the disk the box-sum seed actually read, so it still compares like with like. `--overlap reject` is the XDS MINPK alternative - drop the reflection when less than `--overlap-minpk` of its expected profile is cleanly its own. A box sum has no profile to renormalise with, so `exclude` is a no-op there and only `reject` acts on it. Widening the split - keeping a pixel only where no other centre is within its distance PLUS a margin - was built and measured, and it is worse monotonically: the residual bias of the pixels that were kept grows from +0.072 to +0.209 in ln intensity at 0 to 3 px of margin. What the margin removes is the reflection's own profile, not the neighbour's tail, so the plain nearest-centre split is the rule. Measured on the full 38-crystal rotation battery against the same binary with the treatment off: ISa better 15 / worse 8, summed shortfall against XDS 39.7 -> 28.1. Three of the losses are the two-pass loop taking its other branch - their median mosaicity moves between the two known attractors - rather than the change under test; excluding those it is better 15 / worse 5 and the shortfall goes 31.3 -> 14.4. The two crowded crystals gain 38% and 52% of their ISa, one of them passing XDS. High-shell CC1/2 over the 35 crystals that neither flipped branch nor carry a collapsed error model is better 7 / worse 7. Space groups unchanged at 35/38. The owner map is built only when a treatment is asked for and costs 1.1% of the battery's wall clock - 23% on a genuinely crowded crystal, nothing where no two predictions touch. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
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@@ -88,6 +88,17 @@ BraggIntegrationEngine::BraggIntegrationEngine(const DiffractionExperiment &expe
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bkg_clip_nsigma = settings.GetBackgroundClipNSigma();
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bkg_trim = bkg_clip_nsigma > 0.0f ? 0.0f : settings.GetBackgroundTrimFraction();
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// Overlap treatment. Ownership is decided out to the fit grid's half size, which is where the
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// profile fit reads pixels; beyond it a pixel that nobody claims is this reflection's own.
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// Excluding the shared pixels needs a profile to renormalise, so it cannot act on a box sum -
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// drop it to Off there rather than build an owner map nothing will read.
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overlap = settings.GetOverlap();
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if (overlap == OverlapMode::Exclude && mode == IntegratorMode::BoxSum)
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overlap = OverlapMode::Off;
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overlap_min_peak = settings.GetOverlapMinPeak();
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claim = static_cast<float>(R);
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inv_claim = 1.0f / claim;
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// Radial-offset kernels for the background curvature correction. A stencil pixel at (dx, dy)
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// sits at radial offset dx*cos(phi) + dy*sin(phi) from the reflection, where phi is the
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// reflection's azimuth; averaging over phi makes the kernels position-independent, which is
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