leonarski_fandClaude Opus 5
c9b52857e0
--min-image-cc is consumed only by the stills merge (MergeOnTheFly); RotationScaleMerge never reads it. On rotation data it was accepted and then silently did nothing, so a run that looked filtered was not. It now says so. FitProfileRadius_MAD had zero callers - a robust twin sitting uncalled next to the non-robust estimator that is actually used is a trap, so it goes. Neither changes any result: verified on a rotation dataset (indexing rate, cell, space group and merge statistics identical, warning emitted). Context for anyone tempted to wire that estimator in: I tested exactly that today and it is NOT justified. The population it would clip is truncated by construction - a spot is only marked `indexed` when its fractional-Miller norm is inside the indexing tolerance - and is measurably shorter-tailed than Gaussian (kurtosis 2.85). Across four serial-stills datasets a MAD-clipped variant only narrowed the prediction window (-17% integrated reflections everywhere), which was neutral on strong data and destroyed real signal on weak data (one set lost completeness 96.0 -> 93.9%), with R-free 0.3753 -> 0.3767. Co-Authored-By: Claude Opus 5 (1M context) <noreply@anthropic.com>
18 lines
793 B
C++
18 lines
793 B
C++
// SPDX-FileCopyrightText: 2025 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 <optional>
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#include <vector>
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#include "../../common/SpotToSave.h"
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// Intrinsic excitation-error (mosaicity+divergence) width from the indexed-spot spread. When a finite
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// energy bandwidth is given, its radial smear (bandwidth_sigma*lambda/(2 d^2)) is deconvolved out, so
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// the result is the intrinsic width and bandwidth is not double-counted by prediction (which re-adds
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// it). bandwidth_sigma = 0 reproduces the plain RMS (monochromatic / rotation).
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std::optional<float> FitProfileRadius(const std::vector<SpotToSave>& spots,
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float bandwidth_sigma = 0.0f, float wavelength_A = 0.0f);
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