Commit Graph

179 Commits

Author SHA1 Message Date
f5bd76db05 BraggPrediction: Set Lorentz-polarization correction properly
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2026-01-30 20:49:07 +01:00
0956e59b9c BraggPrediction: Set Lorentz-polarization correction properly 2026-01-30 20:39:26 +01:00
a8ef78fe9f BraggPredictionRotGPU: Fix systematic absences 2026-01-30 20:31:09 +01:00
b33cc2a54d Remove BraggPredictionRotation
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2026-01-30 19:26:00 +01:00
297e210d88 BraggPredictionFactory: Fix CUDA includes
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2026-01-30 18:44:11 +01:00
e0ddbfa644 IndexAndRefine: Use rotation method prediction for reflections
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2026-01-30 16:16:17 +01:00
e0355f356f AnalyzeIndexing: Fix mosaicity calculation 2026-01-30 15:03:21 +01:00
a5e582574e IndexAndRefine: Use small angle approximation for optimizing rotation data 2026-01-30 14:44:54 +01:00
52339a7f85 SimpleRotXtalOptimizer: Work in progress 2026-01-30 14:02:13 +01:00
b9f05b7bc4 IndexAndRefine: Use optimized goniometer axis 2026-01-30 14:02:12 +01:00
a3ea378494 XtalOptimizer: Work in progress to find out what is wrong with rotation axis 2026-01-30 14:02:12 +01:00
5d7bc6339a XtalOptimizer: Refine rotation axis 2026-01-30 14:02:12 +01:00
a4ac885d1c XtalOptimizer: Include explicit rotation axis 2026-01-30 14:02:11 +01:00
475ba92d01 XtalOptimizer: Remove Cauchy leftovers 2026-01-30 14:02:11 +01:00
d1a114aa51 IndexAndRefine: Don't refine unit cell when optimizing rotation result 2026-01-30 14:02:11 +01:00
52c3c3f91a XtalOptimizer: Option to refine unit cell 2026-01-30 14:02:11 +01:00
626f7abc30 IndexAndRefine: Work in progress to understand why rotation indexing doesn't work 2026-01-30 14:02:10 +01:00
b7b38b8e7d GoniometerAxis: Transformation is based on angle, not image number 2026-01-30 14:02:10 +01:00
7693b95008 Remove BraggPredictionRotGPU from CMake for now 2026-01-30 14:02:10 +01:00
bb87ed2df4 BraggPredictionRot: Work in progress 2026-01-30 14:02:09 +01:00
af3fea3e66 XtalOptimizer: Bring back standard loss function for least squares 2026-01-30 14:02:09 +01:00
45ca48cc01 BraggPredictionRotation: New implementation - looks OK, but accuracy is terrible (+/- 10 images wrong) 2026-01-30 14:02:09 +01:00
d3f311dc97 BraggPrediction: Rotation settings removed from BraggPredictionSettings 2026-01-30 14:02:08 +01:00
c0fa5c9467 BraggIntegrate: Lorentz-Polarization correction consistent (roughly) with XDS 2026-01-30 14:02:07 +01:00
4a6085c721 CBOR/HDF5: Save Lorentz-Polarization correction for reflections 2026-01-30 14:02:07 +01:00
7da28b5c9a IndexAndRefine: Fix using lattice at zero deg for refinement 2026-01-30 14:02:05 +01:00
3e721dc476 IndexAndRefine: Minor change in sign...tbd how it should go 2026-01-30 14:02:05 +01:00
7a1355df23 BraggPredictionRotation: Work in progress 2026-01-30 14:02:05 +01:00
9c5a3f5c12 IndexAndRefine: Stabilize profile radius and mosaicity, by using moving average 2026-01-30 14:02:04 +01:00
30783d4849 RotationIndexer: Refine detector angles 2026-01-30 14:02:04 +01:00
11b1857a35 XtalOptimizer: Use robust loss function (Cauchy) for least squares 2026-01-30 14:02:03 +01:00
a31065f6ae CreateBraggPrediction: No rotation for now 2026-01-30 14:02:03 +01:00
0a19acb900 IndexAndRefine: Generate predictions based on refined geometry 2026-01-30 14:02:02 +01:00
71f85b294d RotationIndexer: Remove SetLattice() - not sure why it was necessary in the first place 2026-01-30 14:02:02 +01:00
69cd7b551d IndexAndRefine: Use "standard predictor", just with rotated axis 2026-01-30 14:02:02 +01:00
1353748a2e MXAnalysis: Generate rotation prediction properly 2026-01-30 14:02:01 +01:00
ffb4fa3b29 BraggPredictionRotation: Minor fixes to improve readability 2026-01-30 14:02:00 +01:00
fae05a5cfe BraggPrediction: Minor improvements - predict from -max_hkl to +max_hkl (incl. +max_hkl); small fixed in notation 2026-01-30 14:01:59 +01:00
68e99afc9e BraggPredictionRotation: Guard for negative rotation direction 2026-01-30 14:01:59 +01:00
c2559ed510 BraggIntegrate2D: Fix missing return statement 2026-01-30 14:01:59 +01:00
1926431f7c ScaleAndMerge: Add (very much work in progress) 2026-01-30 14:01:59 +01:00
25f068e111 BraggIntegrate: Add Lorentz factor (1/sin(2*theta)) for rotation measurment 2026-01-30 14:01:58 +01:00
2971b20b87 AnalyzeIndexing: Move mosaicity to a dedicated function + for rotation indexing always consider as indexed 2026-01-30 14:01:58 +01:00
84237d0e38 BraggPrediction: Work in progress 2026-01-30 14:01:58 +01:00
2ba69d37c5 BraggPredictionRotation: Work in progress 2026-01-30 14:01:58 +01:00
20224a01c3 BraggPrediction: Work in progress 2026-01-30 14:01:57 +01:00
319aa0265a BraggIntegrate2D: Take const vector of predictions and return new vector 2026-01-30 14:01:57 +01:00
e27c09833e IndexAndRefine: Fix wrong vector being used for predicted reflections 2026-01-30 14:01:56 +01:00
a71e1f16e7 Indexing: Fixes to better handling ice ring spots 2026-01-30 14:01:56 +01:00
88dba761e4 Indexing: fix indexing tolerance square data type 2026-01-30 14:01:56 +01:00