leonarski_fandClaude Opus 5
ea667cb306
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--scale did none of the ice handling the run that wrote the _process.h5 had
done, so re-scaling a stored dataset silently produced a different - and
flatteringly more complete - answer than the pipeline it was meant to
reproduce. Three separate gaps:
* --detect-ice-rings was accepted and ignored. The --scale block returns
before the line that applies it.
* Reflections were never flagged as sitting on an ice ring, so the per-image
scale fit included them. The flag is not stored per reflection, so it has
to be recomputed from the resolution.
* RotationScaleMerge was constructed with the ice half-width hardcoded to
zero. That is what turns a resolution into a ring index, so every ice test
inside the merge was a no-op whatever was passed to it.
The CC1/2 ring test that decides which rings to drop moves into
FindDecorrelatedIceRings, shared with the full pipeline so both reach the same
verdict on the same data, and --scale now re-merges with the mask the way the
pipeline does. The stills branch re-runs only the merge: the scaling has
already been applied to the reflections and repeating it would compound it.
Measured on a rotation dataset with three decorrelated rings, --scale went
from 8765 unique / 36.3% completeness / R-meas 18.5% / <I/sig> 1.1 to
7638 / 31.6% / 18.0% / 1.3, against the full pipeline's 7692 / 31.8% / 17.9% /
1.3 - the reported completeness had been inflated by reflections the pipeline
drops. The full pipeline is bit-identical across the refactor.
Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
21 lines
1.1 KiB
C++
21 lines
1.1 KiB
C++
// SPDX-FileCopyrightText: 2026 Filip Leonarski, Paul Scherrer Institute <filip.leonarski@psi.ch>
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// SPDX-License-Identifier: GPL-3.0-only
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#pragma once
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#include <vector>
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#include "../../common/Logger.h"
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#include "../../common/Reflection.h" // MergedReflection
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// Hexagonal-ice rings whose merged half-set CC1/2 has collapsed well below the resolution shoulders
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// either side: ice has decorrelated them and their Bragg intensity is unrecoverable, so the caller
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// should re-merge with them dropped. A weak or absent ring tracks its neighbours and is not
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// returned, which is what keeps completeness on a clean crystal untouched.
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//
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// Returns a mask indexed like ICE_RING_RES_A, or an empty vector when no ring qualifies - so the
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// caller can test emptiness rather than scanning. Shared by the full pipeline and the offline
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// --scale path, which have to reach the same verdict on the same data.
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std::vector<char> FindDecorrelatedIceRings(const std::vector<MergedReflection> &merged,
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float half_width_q_recipA, Logger &logger);
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