Commit Graph

181 Commits

Author SHA1 Message Date
leonarski_f bb40c9518b Improve handling/calculating merge mask 2026-05-17 14:44:33 +02:00
leonarski_f 1bf70dcae7 Merge: Some clean-up of CC merge mask + add unit cell handling in IndexAndRefine 2026-05-17 14:32:39 +02:00
leonarski_f 19f8d5e776 IndexAndRefine: Keep unit cell dimensions constant when using rotation indexing
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2026-05-17 13:15:22 +02:00
leonarski_f bed03840ea Merge: Mark TODO 2026-05-17 12:35:39 +02:00
leonarski_f 68e3cbf1b4 Merge: Make table a bit prettier 2026-05-17 12:16:07 +02:00
leonarski_f 3e9c9c3f9b Merge: Use random number generator with fixed seed to assign half-datasets. Also make it per image, not per reflection
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2026-05-17 11:01:00 +02:00
leonarski_f 674ac4afa2 Merge: For anomalous signal, treat Friedel pairs separate, but add half-datasets
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2026-05-17 10:27:19 +02:00
leonarski_f 7e656ae1f9 IndexAndRefine: Fix pragma once 2026-05-17 10:04:03 +02:00
leonarski_f 43d8c93bd1 Merge: Add CC1/2 - I don't like it though, as there is big overlap between merge and merge statistics (better to calculate 1/2 datasets in merge separately?)
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2026-05-17 09:29:13 +02:00
leonarski_f 83ae1f0ced ScaleOnTheFly: mosaicity input is float, for consistence with other code 2026-05-17 09:14:32 +02:00
leonarski_f 6852908dff IndexAndRefine: Use pragma once 2026-05-17 09:12:16 +02:00
leonarski_f b0a64fb254 ScaleOnTheFly: DiffractionExperiment is first argument to constructor, as this is convention used elsewhere 2026-05-17 09:12:05 +02:00
leonarski_f de36a8c421 jfjoch_process: Add CC-based merging limit
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2026-05-16 22:02:47 +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 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 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
leonarski_f c55e91ccfa Merge: Simplify (but not yet gaining performance) 2026-05-13 07:48:17 +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 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 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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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 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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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 87fde1b32e v1.0.0-rc.142 (#52)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* Support for newer CUDA architectures (notably Blackwell); minimum CUDA version 12.8
* Minor changes to jfjoch_process, jfjoch_fpga_test and jfjoch_lite_perf_test to make them more consistent

Reviewed-on: #52
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-04-30 16:47:53 +02:00
leonarski_f d760b12a18 v1.0.0-rc.141 (#51)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Azimuthal integration mapping is generated with parallel computations, significantly reducing setup times
* frontend: Fix selection of FFTW in indexing settings

Reviewed-on: #51
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-04-30 13:04:54 +02:00
leonarski_f 239a441ee6 v1.0.0-rc.140 (#50)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: For DECTRIS detectors, ZeroMQ link is persistent, to save time for establishing new connection
* jfjoch_broker: Minor bug fixes for rare conditions

Reviewed-on: #50
2026-04-29 21:40:22 +02:00
leonarski_f 4878318c27 v1.0.0-rc.139 (#49)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Further reduce startup time for DECTRIS detectors by selectively modifying SIMPLON parameters on `/start`
* jfjoch_broker: Further reduce startup time for DECTRIS detectors by not setting beam center and detector distance via SIMPLON API on '/start'
* jfjoch_broker: Add an extra message to ZeroMQ puller ready to monitor Lite worklow preparation time
* jfjoch_broker: Image buffer configuration is postponed for Lite receiver flow till start message is received
* jfjoch_broker: Use nanoseconds internally for frame/image/readout time
* jfjoch_broker: Extra messages added for receiver operation (to be removed after debugging finished)
* jfojch_broker: Improve profiling of different data analysis steps
* jfjoch_broker: Record integration reflection count
* jfjoch_broker: Fix bug where ZeroMQ preview frequency was confusing time units (micro vs. milliseconds)
* jfjoch_broker: Fix bug where '/wait_till_done' got deadlocked
* jfjoch_writer: Fix confusion between NaN and zero in floating-point datasets

**Breaking changes**: detector definition is now using nanoseconds to define minimum frame time, minimum count time and readout time.

Reviewed-on: #49
2026-04-29 09:50:50 +02:00
leonarski_f 230480e390 v1.0.0-rc.138 (#48)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

    jfjoch_broker: Cleanup DECTRIS start-up code to enable a shorter start time
    jfjoch_broker: Allow for asynchronous start to allow overlapping detector configuration with other beamline preparations
    jfjoch_broker: Goniometer axis name is converted to lowercase
    jfjoch_broker: Fix bug, where wrong HTTP error codes were returned
    jfjoch_broker: Improve sigma estimation during merging (K. Takaba)

---------

Co-authored-by: takaba_k <kiyofumi.takaba@psi.ch>
Reviewed-on: #48
Co-authored-by: Filip Leonarski <filip.leonarski@psi.ch>
Co-committed-by: Filip Leonarski <filip.leonarski@psi.ch>
2026-04-27 19:56:14 +02:00
leonarski_f c981e1b91c v1.0.0-rc.137 (#46)
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This is an UNSTABLE release. The release has significant modifications and bug fixes, if things go wrong, it is better to revert to 1.0.0-rc.132.

* jfjoch_broker: Better track time for each operation in the processing stack
* jfjoch_broker: Rewrite preprocessing of diffraction images in the non-FPGA workflow to better use GPUs (work in progress)
* jfjoch_broker: Remove ROI calculation in the non-FPGA workflow (work in progress)
* jfjoch_viewer: Toolbar displays image number starting from 1 (instead of 0)

Reviewed-on: #46
2026-04-25 19:59:21 +02:00