Commit Graph

1134 Commits

Author SHA1 Message Date
leonarski_f 0ed72eb2ea ScaleAndMerge: Add statistics 2026-02-17 19:46:28 +01:00
leonarski_f be5dff5370 Reflection: slightly reduce struct size
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2026-02-17 19:23:34 +01:00
leonarski_f f7f13c45e8 Docs: Add jumbo frames
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2026-02-17 18:59:17 +01:00
leonarski_f 30791b1da0 MXAnalysisAfterFPGA: Add state management to handle disabling functionality properly
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2026-02-17 18:53:41 +01:00
leonarski_f 329be6eb33 ScaleAndMerge: Remove GoF, refactor merging part
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2026-02-17 13:56:12 +01:00
leonarski_f 21059d1662 CBOR: Add scale factors (work in progress) 2026-02-17 13:43:52 +01:00
leonarski_f 957980307f jfjoch_process: Add anomalous mode
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2026-02-17 13:18:40 +01:00
leonarski_f f3e8379a55 jfjoch_process: Write amplitudes at the end into hkl file in addition to mmCIF file (to be improved later) 2026-02-17 13:08:59 +01:00
leonarski_f c4d4b5d570 BraggIntegrate2D: Fix polarization correction division 2026-02-17 13:07:22 +01:00
leonarski_f 981c8ce0d4 AzimuthalIntegration: Clear naming for polarization factor 2026-02-17 13:05:45 +01:00
leonarski_f c7bf8c4d13 jfjoch_process: Don't write header row for hkl file
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2026-02-17 12:18:05 +01:00
leonarski_f 175e938616 BraggIntegrate2D: Lorentz-Polarization correction is not directly applied 2026-02-17 12:16:58 +01:00
leonarski_f 411276415e jfjoch_viewer: Display partiality and reverse LP correction 2026-02-17 11:25:21 +01:00
leonarski_f 1295ee9f85 jfjoch_process: Reformat
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2026-02-15 19:22:44 +01:00
leonarski_f 832bbe4d89 ScaleAndMerge: Minor fixes 2026-02-15 19:22:03 +01:00
leonarski_f f0e17fde60 RotationParameters: More flexibility on moving average size 2026-02-15 10:37:09 +01:00
leonarski_f 8325d87982 WriteMmcif: Fix synchrotron site parameters 2026-02-13 20:33:29 +01:00
leonarski_f 936b63a7a9 ScaleAndMerge: Intensities come from merging
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2026-02-12 21:08:47 +01:00
leonarski_f 0ae85a63f9 ScaleAndMerge: sigma calculation included 2026-02-12 20:12:56 +01:00
leonarski_f 38199c480f jfjoch_process: Save reflections as mmCIF (experimental) 2026-02-12 18:09:35 +01:00
leonarski_f 1dedd3de33 ScaleAndMerge: Add AI generated sigmas 2026-02-12 17:56:32 +01:00
leonarski_f fd8e263934 jfjoch_process: More fixes
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2026-02-11 20:41:52 +01:00
leonarski_f 34b24133c7 jfjoch_process: More fixes
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2026-02-11 19:59:32 +01:00
leonarski_f 161df2f5a1 jfjoch_process: Fixes 2026-02-11 19:31:07 +01:00
leonarski_f de8e8d3a64 jfjoch_process: More options
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2026-02-11 16:26:36 +01:00
leonarski_f 217e86c23b ScaleAndMerge: Add option to turn off per image mosaicity 2026-02-11 16:22:45 +01:00
leonarski_f 86afb7697e ScaleAndMerge: Add log-scaling residual 2026-02-11 16:20:14 +01:00
leonarski_f 45e4a642f9 ScaleAndMerge: Print full report (for now) and use max number of threads
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2026-02-10 08:12:47 +01:00
leonarski_f 44802ddac4 Ceres: Build with C++ threads 2026-02-10 08:04:14 +01:00
leonarski_f 247ed0e1eb BraggPredictionGPU: Fix
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2026-02-09 20:35:55 +01:00
leonarski_f 14402f8175 BraggPredictionRotGPU: Save delta_phi in degrees, not radians
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2026-02-09 18:01:46 +01:00
leonarski_f e0fd62df2b ScaleAndMerge: Fix symbol names k --> g, remove setting first image scale factor to 1 (it is too weak), remove radians 2026-02-09 18:00:23 +01:00
leonarski_f 684c3df204 ScaleAndMerge: Fix partiality model
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2026-02-09 12:29:48 +01:00
leonarski_f c40a0332e7 jfjoch_process: minor fixes to input parameters
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2026-02-09 10:27:47 +01:00
leonarski_f f49cb3a6f0 Revert "CCP4: Add library to save MTZs"
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This reverts commit d4d1f6cd9c.
2026-02-09 10:08:39 +01:00
leonarski_f d4d1f6cd9c CCP4: Add library to save MTZs
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2026-02-08 19:55:48 +01:00
leonarski_f 58f29409e6 jfjoch_process: Fix 2026-02-08 19:29:00 +01:00
leonarski_f 69ebbed8fb jfjoch_process: Add French-Wilson (completely written by Opus 4.6...need to understand it properly first :) ) 2026-02-08 19:02:48 +01:00
leonarski_f 6e28ad3523 jfjoch_process: Include scaling - to be tested
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2026-02-08 18:45:39 +01:00
leonarski_f 7f1f28f8d3 ScaleAndMerge: Merge intensities taken from scaling - variances taken directly from least-squares (with some magic from Opus 4.6, which I don't yet understand)
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2026-02-08 17:22:02 +01:00
leonarski_f d6265fe589 IndexAndRefine: Save all reflections...to integrate scale and merge
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2026-02-08 14:44:26 +01:00
leonarski_f 068ea2eea7 ScaleAndMerge: Further improvement 2026-02-08 14:36:06 +01:00
leonarski_f fb493e8ac2 ScaleAndMerge: Add rotation partiality model 2026-02-08 14:26:08 +01:00
leonarski_f 7177d0fed0 BraggPredictionRot: Fix partiality 2026-02-08 14:25:52 +01:00
leonarski_f e15944ab56 Reflection: Save zeta 2026-02-08 13:10:06 +01:00
leonarski_f 666b52ffc1 JFJochHDF5Reader: Read delta phi 2026-02-08 13:00:56 +01:00
leonarski_f 70343ec058 Reflection: Add delta_phi
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2026-02-08 12:42:38 +01:00
leonarski_f b7a3fb09ef IndexAndRefine: Fix wrong include file
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2026-02-06 11:40:02 +01:00
leonarski_f 4edebe888e IndexAndRefine: Simple optimization was not good enough - using a non-linear solver leads to considerably better predictions.
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2026-02-06 11:02:27 +01:00
leonarski_f aac982a239 DiffractionSpot: Consistent definition of rotation angle
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2026-02-05 13:46:59 +01:00