Commit Graph

1153 Commits

Author SHA1 Message Date
leonarski_f cd492db2eb jfjoch_process: Display scaling time in per image metrics 2026-05-16 21:30:19 +02:00
leonarski_f 1b781660c9 jfjoch_process: Minor refactor 2026-05-16 21:27:55 +02:00
leonarski_f a39a751670 jfjoch_process: Remove French & Wilson - let's leave it to Phenix to figure out 2026-05-16 21:25:28 +02:00
leonarski_f ffc5c1f561 IndexAndRefine: Save scaled reflections
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2026-05-14 20:11:27 +02:00
leonarski_f 0e9f7cc956 Save/transfer/read/display image scale results
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2026-05-14 16:37:21 +02:00
leonarski_f 1bccbda370 JFJochMessages: Need to include gemmi via exact path
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2026-05-13 21:31:05 +02:00
leonarski_f 1afbaf6f11 CrystalLattice: Need to include gemmi via exact path
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2026-05-13 21:21:14 +02:00
leonarski_f 2397a108dd ScaleOnTheFly: Add CC image/ref
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2026-05-13 17:26:51 +02:00
leonarski_f e70d71912b Merge: Add partiality limit 2026-05-13 17:26:51 +02:00
leonarski_f 6aa6890a8b Enable reading MTZ files with reference Fcalc 2026-05-13 17:26:51 +02:00
leonarski_f 08bf186766 Gemmi: Add more functionality from gemmi 0.7.5 2026-05-13 17:26:51 +02:00
takaba_k b27b140bf0 JFJochHDF5Reader: read pixel_mask defined under /detectorSpecific
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2026-05-13 15:25:52 +02:00
leonarski_f e1c661e48d Revert "Gemmi: Include through FetchContent full gemmi library (not limited cpp/hpp files)"
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This reverts commit b06dfc8357.
2026-05-13 13:32:25 +02:00
leonarski_f b06dfc8357 Gemmi: Include through FetchContent full gemmi library (not limited cpp/hpp files)
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2026-05-13 13:13:49 +02:00
leonarski_f d5b928fa73 Merge: Simplify code for merging, make it more efficient
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2026-05-13 12:27:50 +02:00
leonarski_f 02327bf610 BraggIntegrate2D: For very large sigma's, use 2% of I as sigma (if larger than sqrt(I)) 2026-05-13 12:27:50 +02:00
takaba_k 8a9d1d39ec Merge branch '2605-scaling-bugfix' into 2605-scaling
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2026-05-13 11:33:55 +02:00
leonarski_f f0601289d9 Report merge time
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2026-05-13 07:49:59 +02:00
leonarski_f c55e91ccfa Merge: Simplify (but not yet gaining performance) 2026-05-13 07:48:17 +02:00
takaba_k 078c871ec1 jfjoch_process: Fix reading missing metadata
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2026-05-12 21:44:12 +02:00
leonarski_f 2fa9293fda HKLKeyGenerator: Make HKLKeyGenerator having already prebuilt gemmi data structures
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2026-05-12 19:38:15 +02:00
takaba_k e45d1ff4d3 jfjoch_process: removed geometry restriction option
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2026-05-12 16:05:28 +02:00
leonarski_f b7627b5a11 jfjoch_process: Multiple scaling iterations
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2026-05-11 13:59:16 +02:00
leonarski_f a468e46222 Merge: Remove scaling correction for now (need to think about it) 2026-05-11 13:56:05 +02:00
leonarski_f b1fe201047 Clean-up
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2026-05-11 13:25:02 +02:00
leonarski_f 0cf801c2d2 Merge: Remove old statistics 2026-05-11 13:18:49 +02:00
leonarski_f cecb3024e0 ScaleOnTheFly: Fix B term 2026-05-11 13:17:10 +02:00
leonarski_f c92d01222c ScaleOnTheFly: Calculate rotation partiality correctly 2026-05-11 13:15:52 +02:00
leonarski_f aa347096d2 Merge: Remove unused statistics values (for now) 2026-05-11 13:12:02 +02:00
leonarski_f 4e6a6e2aa2 jfjoch_process: Fixes to parameter logic 2026-05-11 13:11:42 +02:00
leonarski_f 9ec8ebcde8 jfjoch_process: Add space group number handling 2026-05-11 13:06:28 +02:00
leonarski_f b53f0d6474 jfjoch_process: Print statistics moved to Merge.h/Merge.cpp and ScalingResult.cpp/ScalingResult.h
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2026-05-11 10:37:39 +02:00
leonarski_f 486310fd87 jfjoch_process: Optimize design choices for scaling integration
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2026-05-11 10:10:11 +02:00
leonarski_f e70b21f6de HKLKey: Test properly, fix bug with merging Friedel pairs when no SG given
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2026-05-11 08:29:41 +02:00
leonarski_f b854c0f356 Move to ScaleOnTheFly model
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2026-05-10 23:04:24 +02:00
leonarski_f 440e54d588 ScalingResult: Dedicated data structure 2026-05-10 17:41:12 +02:00
leonarski_f eea438185c jfjoch_process: Implement split scale & merge. 2026-05-10 16:55:21 +02:00
leonarski_f 4b6a042e4a jfjoch_test: Fix TCPImagePusherTest to ensure it is more stable
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2026-05-10 16:44:06 +02:00
leonarski_f b9af590ff5 Refactor splitting scale and merge
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2026-05-10 16:05:45 +02:00
leonarski_f a441e96b50 HKLKey: Fix
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2026-05-10 13:44:01 +02:00
leonarski_f a90ec13418 Split scaling and merge into separate files (WIP)
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2026-05-10 13:39:32 +02:00
leonarski_f 81af116b4d ScaleAndMerge: Minor clean-up 2026-05-10 10:51:01 +02:00
leonarski_f 3e4e6019c4 ScaleAndMerge: Add "just" merge function for now
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2026-05-10 10:42:56 +02:00
leonarski_f e392a3ae1b ScaleAndMerge: Simplify merge and go back to "standard" weights 2026-05-10 10:34:24 +02:00
leonarski_f cc42ae6bf6 jfjoch_process: Fix bounds for VDS mapping
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2026-05-09 20:43:39 +02:00
leonarski_f cf2ca90fb7 jfjoch_test: Improve a bit XtalOptimizer_hexagonal test hoping for more consistent result
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2026-05-09 18:17:11 +02:00
leonarski_f 38c2826c09 JFJochHDF5Reader: Add ReadReflections function
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2026-05-09 08:39:07 +02:00
leonarski_f d718999335 FileWriter: Allow to save master files with custom suffix (like _process.h5) 2026-05-09 08:04:04 +02:00
leonarski_f 93914e1fb9 jfjoch_process: Fix typo
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2026-05-08 20:09:46 +02:00
leonarski_f 0503ef0271 jfjoch_process: Adapt behavior to write file with processing results and link to original images (to be tested)
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2026-05-08 20:06:41 +02:00