 leonarski_f
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68047ef787
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ScaleOnTheFly: Make scale factor always positive
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2026-05-18 12:18:38 +02:00 |
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leonarski_f
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be341e4cce
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Merge: Apply systematic absences to merging/merging statistics
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2026-05-17 20:56:20 +02:00 |
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leonarski_f
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1d3ccdaa00
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Add possible reflection and completeness to MergeStatistics
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2026-05-17 20:05:28 +02:00 |
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leonarski_f
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39fef1bcef
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UpdateReflectionResolution: Separate file + clear bug
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2026-05-17 17:11:45 +02:00 |
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leonarski_f
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f5447b3478
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Update resolution of reflections based on consensus unit cell
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2026-05-17 16:23:49 +02:00 |
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leonarski_f
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4ca6684252
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Merge: Fix ambiguity in names
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2026-05-17 16:14:04 +02:00 |
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leonarski_f
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023e08e80d
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Integrate consensus unit cell handling
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2026-05-17 16:08:48 +02:00 |
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leonarski_f
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6185b870cf
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Merge.h: Clean-up
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2026-05-17 14:55:13 +02:00 |
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leonarski_f
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bb40c9518b
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Improve handling/calculating merge mask
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2026-05-17 14:44:33 +02:00 |
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leonarski_f
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1bf70dcae7
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Merge: Some clean-up of CC merge mask + add unit cell handling in IndexAndRefine
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2026-05-17 14:32:39 +02:00 |
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leonarski_f
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19f8d5e776
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IndexAndRefine: Keep unit cell dimensions constant when using rotation indexing
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2026-05-17 13:15:22 +02:00 |
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leonarski_f
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bed03840ea
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Merge: Mark TODO
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2026-05-17 12:35:39 +02:00 |
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leonarski_f
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68e3cbf1b4
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Merge: Make table a bit prettier
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2026-05-17 12:16:07 +02:00 |
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leonarski_f
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3e9c9c3f9b
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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 |
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leonarski_f
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674ac4afa2
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Merge: For anomalous signal, treat Friedel pairs separate, but add half-datasets
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2026-05-17 10:27:19 +02:00 |
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leonarski_f
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7e656ae1f9
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IndexAndRefine: Fix pragma once
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2026-05-17 10:04:03 +02:00 |
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leonarski_f
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43d8c93bd1
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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 |
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leonarski_f
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83ae1f0ced
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ScaleOnTheFly: mosaicity input is float, for consistence with other code
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2026-05-17 09:14:32 +02:00 |
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leonarski_f
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6852908dff
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IndexAndRefine: Use pragma once
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2026-05-17 09:12:16 +02:00 |
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leonarski_f
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b0a64fb254
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ScaleOnTheFly: DiffractionExperiment is first argument to constructor, as this is convention used elsewhere
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2026-05-17 09:12:05 +02:00 |
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leonarski_f
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de36a8c421
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jfjoch_process: Add CC-based merging limit
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2026-05-16 22:02:47 +02:00 |
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leonarski_f
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a39a751670
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jfjoch_process: Remove French & Wilson - let's leave it to Phenix to figure out
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2026-05-16 21:25:28 +02:00 |
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leonarski_f
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ffc5c1f561
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IndexAndRefine: Save scaled reflections
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2026-05-14 20:11:27 +02:00 |
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leonarski_f
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0e9f7cc956
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Save/transfer/read/display image scale results
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2026-05-14 16:37:21 +02:00 |
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leonarski_f
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2397a108dd
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ScaleOnTheFly: Add CC image/ref
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2026-05-13 17:26:51 +02:00 |
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leonarski_f
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e70d71912b
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Merge: Add partiality limit
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2026-05-13 17:26:51 +02:00 |
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leonarski_f
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6aa6890a8b
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Enable reading MTZ files with reference Fcalc
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2026-05-13 17:26:51 +02:00 |
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leonarski_f
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e1c661e48d
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Revert "Gemmi: Include through FetchContent full gemmi library (not limited cpp/hpp files)"
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This reverts commit b06dfc8357.
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2026-05-13 13:32:25 +02:00 |
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leonarski_f
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b06dfc8357
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Gemmi: Include through FetchContent full gemmi library (not limited cpp/hpp files)
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2026-05-13 13:13:49 +02:00 |
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leonarski_f
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d5b928fa73
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Merge: Simplify code for merging, make it more efficient
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2026-05-13 12:27:50 +02:00 |
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leonarski_f
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02327bf610
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BraggIntegrate2D: For very large sigma's, use 2% of I as sigma (if larger than sqrt(I))
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2026-05-13 12:27:50 +02:00 |
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leonarski_f
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c55e91ccfa
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Merge: Simplify (but not yet gaining performance)
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2026-05-13 07:48:17 +02:00 |
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leonarski_f
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2fa9293fda
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HKLKeyGenerator: Make HKLKeyGenerator having already prebuilt gemmi data structures
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2026-05-12 19:38:15 +02:00 |
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 takaba_k
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e45d1ff4d3
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jfjoch_process: removed geometry restriction option
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2026-05-12 16:05:28 +02:00 |
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leonarski_f
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a468e46222
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Merge: Remove scaling correction for now (need to think about it)
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2026-05-11 13:56:05 +02:00 |
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leonarski_f
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b1fe201047
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Clean-up
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2026-05-11 13:25:02 +02:00 |
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leonarski_f
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0cf801c2d2
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Merge: Remove old statistics
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2026-05-11 13:18:49 +02:00 |
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leonarski_f
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cecb3024e0
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ScaleOnTheFly: Fix B term
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2026-05-11 13:17:10 +02:00 |
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leonarski_f
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c92d01222c
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ScaleOnTheFly: Calculate rotation partiality correctly
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2026-05-11 13:15:52 +02:00 |
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leonarski_f
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aa347096d2
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Merge: Remove unused statistics values (for now)
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2026-05-11 13:12:02 +02:00 |
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leonarski_f
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b53f0d6474
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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 |
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leonarski_f
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486310fd87
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jfjoch_process: Optimize design choices for scaling integration
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2026-05-11 10:10:11 +02:00 |
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leonarski_f
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e70b21f6de
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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 |
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leonarski_f
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b854c0f356
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Move to ScaleOnTheFly model
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2026-05-10 23:04:24 +02:00 |
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leonarski_f
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440e54d588
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ScalingResult: Dedicated data structure
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2026-05-10 17:41:12 +02:00 |
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leonarski_f
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eea438185c
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jfjoch_process: Implement split scale & merge.
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2026-05-10 16:55:21 +02:00 |
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leonarski_f
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b9af590ff5
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Refactor splitting scale and merge
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2026-05-10 16:05:45 +02:00 |
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leonarski_f
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a441e96b50
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HKLKey: Fix
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2026-05-10 13:44:01 +02:00 |
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leonarski_f
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a90ec13418
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Split scaling and merge into separate files (WIP)
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2026-05-10 13:39:32 +02:00 |
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leonarski_f
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81af116b4d
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ScaleAndMerge: Minor clean-up
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2026-05-10 10:51:01 +02:00 |
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