 leonarski_f
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39823ddb67
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General function to write reflections in multiple formats (need to better integrate into jfjoch_scale and jfjoch_process)
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2026-05-19 22:12:42 +02:00 |
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leonarski_f
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0eb0c50c66
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Merge: Generate R-free flags
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2026-05-19 21:04:55 +02:00 |
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leonarski_f
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e4ff4dca9e
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ScalingSettings: file format and intensity settings
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2026-05-19 17:22:13 +02:00 |
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leonarski_f
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1a70c1987a
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jfjoch_scale: A bit nicer handling of reflection statistics and preparation
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2026-05-18 21:28:09 +02:00 |
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leonarski_f
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a05ec050ed
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Merge: Merging happens in MergeOnTheFly class, not in function
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2026-05-18 21:09:22 +02:00 |
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leonarski_f
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c90e4facce
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CorrelationCoefficient: Separate class
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2026-05-18 20:28:28 +02:00 |
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leonarski_f
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371a69c5b8
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Merge: Fix CC calculation
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2026-05-18 14:04:56 +02:00 |
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leonarski_f
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d555042dc6
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jfjoch_scale: Seems to work (though unstable)
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2026-05-18 13:38:23 +02:00 |
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leonarski_f
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7c0cc22e47
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HDF5: Save per reflection scaling factor
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2026-05-18 13:37:55 +02:00 |
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leonarski_f
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8371743cbb
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Merge: Add CCref
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2026-05-18 13:13:51 +02:00 |
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leonarski_f
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4e2043ec4b
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jfjoch_viewer: Add Image B-factor
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2026-05-18 12:54:24 +02:00 |
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leonarski_f
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ac907e8aef
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jfjoch_viewer: Fix displaying per image CC
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2026-05-18 12:23:22 +02:00 |
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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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1bc96d0f17
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jfjoch_test: Add test for systematic absences
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2026-05-17 21:10:03 +02:00 |
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leonarski_f
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980074baf9
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UnitCell: Use direct path to gemmi unitcell
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2026-05-17 21:02:46 +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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8b7bd4c8b6
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jfjoch_process: remove printing final rotation lattice
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2026-05-17 16:10:33 +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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079d85628b
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jfjoch_scale: Clean-up
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2026-05-17 14:54:20 +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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25d3f660be
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HDF5NXmx: Fix
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2026-05-17 14:07:35 +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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0ceff6e91b
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HDF5NXmx: Save unit cell after rotation indexing as main one + lattice (in UB-matrix format) + input unit cell as extra information
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2026-05-17 12:33:10 +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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b8e770e424
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jfjoch_test: Fix scaling tests
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2026-05-17 12:06:13 +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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6dd9997610
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jfjoch_scale: Minor improvements
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2026-05-17 09:18:24 +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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7212f5a628
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jfjoch_scale: Add scaling iteration count
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2026-05-17 09:09:50 +02:00 |
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leonarski_f
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65ff3a2b68
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jfjoch_scale: Add tool, work in progress
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2026-05-17 09:06:48 +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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ac769ea930
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jfjoch_process: Display metrics in millisecond and cut one digit of precision - down to 10 us
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2026-05-16 21:34:13 +02:00 |
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leonarski_f
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cd492db2eb
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jfjoch_process: Display scaling time in per image metrics
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2026-05-16 21:30:19 +02:00 |
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leonarski_f
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1b781660c9
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jfjoch_process: Minor refactor
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2026-05-16 21:27:55 +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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1bccbda370
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JFJochMessages: Need to include gemmi via exact path
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2026-05-13 21:31:05 +02:00 |
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