leonarski_fandClaude Fable 5.1 037c32d9fb Error model: ISa is reported only where b is the solution of a fit - not beside a clamped a, not when b was held at zero, and on stills under the same rule ...

The reported ISa is 1/b of the merge error model var = a*s2 + b^2*<I>^2. Three outputs
printed a number that was not the result of any fit:

* A bin whose median normalised deviation lies far below the others' - observations that
  repeat their symmetry mates to the bit, as an input read twice gives - takes the whole fit
  through its 1/bd2^2 relative weight and pulls both terms towards zero. a stops on its 0.25
  bound, b^2 does not, and the remainder's 1/b reads as an I/sigma in the hundreds to
  millions; the standard-error test let it through on about half of the synthetic pools.
  Beside a clamped a the b^2 is not the solution of any fit, so it is now left unresolved.
* When b had no leverage and was held at zero, b_resolved kept its default and the report
  printed ISA 0.00 where the log said ISa was not reported. Unresolved now.
* The stills fit (MergeOnTheFly::RefineErrorModel) had no resolution test at all, so any
  tiny positive b^2 went out as ISa; on pools with no systematic error one seed in twelve
  printed ISa ~1000. It now carries the same test and rugnux reports it the same way.
* The --report-resolution refit's ISa (REFRES_ISA) was written without the gate.

No a or b changes: the merge weights, outlier band and every value except the resolved flag
are untouched, so a merge whose a sits inside its bounds reports exactly what it did. The
flag also feeds the per-frame-scale arm choice (PartialScalingWins), which is the one
decision that can move - only on a merge whose a is on a bound.

Co-Authored-By: Claude Fable 5.1 <noreply@anthropic.com>
Claude-Session: https://claude.ai/code/session_015CeEGgpKdfkCTJb3YNMJcu

2026-10-26 23:09:38 +01:00

..

crystfel

v1.0.0.rc-161 (#71)

2026-08-13 17:03:10 +02:00

data

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

test_data

Refinement: common cofactors and modified RNA nucleotides in the embedded dictionary; heme iron restrained from LINK records

2026-10-26 13:56:29 +01:00

xds

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

xds_durin

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

xds_neggia

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

AcquisitionCountersTest.cpp

v1.0.0-rc.36

2025-05-05 19:32:22 +02:00

AdaptiveSpotFinderCPUTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

AdaptiveSpotFinderGPUTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

AdaptiveThresholdTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

AndersonMixingTest.cpp

v1.0.0-rc.178 (#88)

2026-10-21 11:20:01 +02:00

AnisotropyAnalysisTest.cpp

v1.0.0-rc.177 (#87)

2026-10-19 16:07:31 +02:00

AutoIncrVectorTest.cpp

v1.0.0-rc.139 (#49)

2026-04-29 09:50:50 +02:00

AzimuthalIntegrationTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

BackgroundApertureTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

BackgroundGainTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

BandwidthEstimateTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

BeamCenterFFTGPUTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

BeamCenterFFTTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

BeamCenterFromBackgroundTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

BearerTokensTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

BraggIntegrationEngineCompressedImageTest.cpp

1.0.0-rc.174 (#84)

2026-10-06 14:03:18 +02:00

BraggIntegrationEngineCPUTest.cpp

Beam stop: a reflection whose signal disk reaches the shadow is not integrated; no-data pixels are dead, not shadow

2026-10-25 07:20:21 +01:00

BraggIntegrationEngineGPUTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

BraggIntegrationEngineMetalTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

BraggStencilTest.cpp

1.0.0-rc.174 (#84)

2026-10-06 14:03:18 +02:00

BrokerHttpAuthTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

BSLZ4DecoderGPUFuzzTest.cpp

v1.0.0.rc-161 (#71)

2026-08-13 17:03:10 +02:00

BSLZ4DecoderGPUTest.cpp

v1.0.0.rc-161 (#71)

2026-08-13 17:03:10 +02:00

CalcBraggPredictionTest.cpp

Stills prediction: every frame predicts through two rocking widths of the run, measured first and centred on its radial scale

2026-10-26 10:50:52 +01:00

CalibrationTest.cpp

v1.0.0-rc.166 (#76)

2026-09-02 21:17:31 +02:00

CBORTest.cpp

NXmx: the unit cell's e.s.d.s are saved as /entry/sample/unit_cell_esd

2026-10-26 15:50:40 +01:00

CCTest.cpp

v1.0.0-rc.146 (#56)

2026-05-28 18:48:35 +02:00

CellEsdTest.cpp

CellEsdTest: synthetic cells in place of cells that looked measured

2026-10-26 15:38:58 +01:00

CellPopulationTest.cpp

Stills geometry: fit only the given cell's crystal form; a stray frame is no cell population

2026-10-25 07:20:25 +01:00

CheckImageOutput.h

v1.0.0-rc.36

2025-05-05 19:32:22 +02:00

CMakeLists.txt

rugnux: unit-cell e.s.d.s - ZERR in a new SHELX .ins beside the .hkl, _cell.*_esd in the mmCIF, CELL_ESD_* in the report

2026-10-26 14:33:38 +01:00

CoordTest.cpp

v1.0.0-rc.41

2025-06-10 18:14:04 +02:00

CorrectionSurfaceGPUTest.cpp

1.0.0-rc.174 (#84)

2026-10-06 14:03:18 +02:00

CrystalLatticeTest.cpp

v1.0.0-rc.166 (#76)

2026-09-02 21:17:31 +02:00

CrystalSettingTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

CrystFELGeometryTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

CudaHandledErrorTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

CUDAMemHelpersTest.cpp

v1.0.0-rc.178 (#88)

2026-10-21 11:20:01 +02:00

DectrisSimplonClientTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

DetectorGeometryTest.cpp

v1.0.0-rc.103 (#8)

2025-11-19 09:40:50 +01:00

DetectorModulesTest.cpp

v1.0.0-rc.178 (#88)

2026-10-21 11:20:01 +02:00

DetectorSettingsTest.cpp

v1.0.0-rc.139 (#49)

2026-04-29 09:50:50 +02:00

DetectorSetupTest.cpp

v1.0.0.rc-162 (#72)

2026-08-25 08:21:39 +02:00

DetGeomCalibTest.cpp

v1.0.0-rc.166 (#76)

2026-09-02 21:17:31 +02:00

DiagnosticOutputTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

DiffractionExperimentTest.cpp

v1.0.0-rc.166 (#76)

2026-09-02 21:17:31 +02:00

DiffractionGeometryTest.cpp

v1.0.0-rc.166 (#76)

2026-09-02 21:17:31 +02:00

DiffractionSpotTest.cpp

v1.0.0.rc-161 (#71)

2026-08-13 17:03:10 +02:00

DirectHostReadGPUTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

enospc_shim.c

SHIM library improvements from the HDF Group

2026-05-08 11:39:51 +02:00

FFBIDXIndexerCPUTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

FPGAFrameGeneratorTest.cpp

version 1.0.0-rc.25

2024-11-22 21:25:20 +01:00

FPGAHLSModulesTest.cpp

v1.0.0-rc.91

2025-10-20 20:43:44 +02:00

FPGAHostWriterTest.cpp

v1.0.0-rc.34

2025-04-14 11:52:06 +02:00

FPGAIntegrationTest.cpp

v1.0.0-rc.97

2025-11-09 12:42:27 +01:00

FPGANetworkTest.cpp

v1.0.0-rc.72

2025-09-08 20:28:59 +02:00

FPGAPTPTest.cpp

v1.0.0-rc.72

2025-09-08 20:28:59 +02:00

FPGASpotFindingUnitTest.cpp

v.1.0.0-rc.32

2025-03-24 12:16:33 +01:00

FrameTransformationTest.cpp

v1.0.0-rc.172 (#82)

2026-09-22 06:48:37 +02:00

FrenchWilsonTest.cpp

1.0.0-rc.174 (#84)

2026-10-06 14:03:18 +02:00

GoniometerAxisTest.cpp

v1.0.0-rc49

2025-06-18 15:19:18 +02:00

GridScanSettingsTest.cpp

v1.0.0-rc.166 (#76)

2026-09-02 21:17:31 +02:00

HDF5WritingTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

HistogramTest.cpp

v1.0.0-rc.121 (#28)

2025-12-12 21:24:20 +01:00

HKLKeyTest.cpp

v1.0.0-rc.124 (#31)

2026-02-01 13:29:33 +01:00

HostMemoryTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

HotPixelFinderTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

ImageBufferTest.cpp

v1.0.0-rc.128 (#35)

2026-03-03 22:24:44 +01:00

ImageMetadataTest.cpp

v1.0.0-rc.103 (#8)

2025-11-19 09:40:50 +01:00

ImagePreprocessorGPUFusedTest.cpp

v1.0.0.rc-162 (#72)

2026-08-25 08:21:39 +02:00

ImageSpotFinderCPUTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

ImageSpotFinderGPUTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

IndexingUnitTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

JFCalibrationTest.cpp

v1.0.0-rc.36

2025-05-05 19:32:22 +02:00

JFConversionTest.cpp

version 1.0.0-rc.25

2024-11-22 21:25:20 +01:00

jfjoch_hdf5_enospc_test.cpp

v1.0.0.rc-162 (#72)

2026-08-25 08:21:39 +02:00

JFJochImageBufferReaderTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

JFJochReaderTest.cpp

NXmx: the unit cell's e.s.d.s are saved as /entry/sample/unit_cell_esd

2026-10-26 15:50:40 +01:00

JFJochReceiverIntegrationTest.cpp

v1.0.0-rc.150 (#60)

2026-06-15 20:24:15 +02:00

JFJochReceiverLiteTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

JFJochReceiverPlotsTest.cpp

v1.0.0-rc.153 (#63)

2026-06-23 20:29:49 +02:00

JFJochReceiverProcessingTest.cpp

v1.0.0-rc.160 (#70)

2026-07-19 09:39:28 +02:00

JFJochStateMachineTest.cpp

v1.0.0-rc.178 (#88)

2026-10-21 11:20:01 +02:00

JFPedestalTest.cpp

version 1.0.0-rc.25

2024-11-22 21:25:20 +01:00

JPEGTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

LatticeReductionTest.cpp

v1.0.0-rc.153 (#63)

2026-06-23 20:29:49 +02:00

LatticeSearchTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

LePageLatticeTest.cpp

v1.0.0-rc.167 (#77)

2026-09-09 07:25:13 +02:00

LiveCollectionTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

LoadReferenceMtzFreeFlagsTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

LoadReferenceSfCifTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

LossyFilterTest.cpp

version 1.0.0-rc.25

2024-11-22 21:25:20 +01:00

MergeScaleTest.cpp

Error model: ISa is reported only where b is the solution of a fit - not beside a clamped a, not when b was held at zero, and on stills under the same rule

2026-10-26 23:09:38 +01:00

ModelDensityGPUTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

ModelDensityMetalTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

ModelMaskGPUTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

ModelScaleGPUTest.cpp

Refinement GPU: the robust scale fit on the card, the pool back in every trial slot

2026-10-26 01:38:24 +01:00

ModelScalingTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

ModelValidationTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

ModuleRefinementTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

ModuleSummationTest.cpp

version 1.0.0-rc.27 minor fixes

2024-12-04 20:58:51 +01:00

MolecularReplacementMetalTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

MolecularReplacementTest.cpp

v1.0.0-rc.178 (#88)

2026-10-21 11:20:01 +02:00

MovingAverageTest.cpp

v1.0.0-rc.31

2025-03-02 13:15:28 +01:00

MultiLatticeSearchTest.cpp

v1.0.0-rc.148 (#58)

2026-06-08 08:30:35 +02:00

MultiReaderTest.cpp

v1.0.0-rc.178 (#88)

2026-10-21 11:20:01 +02:00

nxmx_geometry_dials_test.py

v1.0.0.rc-162 (#72)

2026-08-25 08:21:39 +02:00

PairSortGPUTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

PanelLayoutTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

ParallelForTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

PedestalCalcTest.cpp

v1.0.0-rc.97

2025-11-09 12:42:27 +01:00

PixelMaskTest.cpp

v1.0.0.rc-161 (#71)

2026-08-13 17:03:10 +02:00

PortableTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

PostRefineTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

PreflightTest.cpp

v1.0.0-rc.165 (#75)

2026-08-27 22:16:54 +02:00

PreviewCounterTest.cpp

version 1.0.0-rc.25

2024-11-22 21:25:20 +01:00

RawToConvertedGeometryTest.cpp

v1.0.0-rc.97

2025-11-09 12:42:27 +01:00

ReceiveRingBufferTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

RefinementTest.cpp

Refinement restraints: contacts with lattice translates are kept, and an atom's own symmetry contact once

2026-10-26 15:38:59 +01:00

RefineOnlyTest.cpp

Refinement: an exception in a trial slot or in RefineModel no longer ends the run

2026-10-26 15:38:58 +01:00

RegressionTest.cpp

1.0.0-rc.89

2025-10-01 22:54:40 +02:00

ReindexAmbiguityTest.cpp

Serial stills with a reference or model: crystals their own cells anchor keep that indexing

2026-10-26 06:49:20 +01:00

ResolutionShellsTest.cpp

v1.0.0-rc.166 (#76)

2026-09-02 21:17:31 +02:00

ResultReportTest.cpp

v1.0.0-rc.178 (#88)

2026-10-21 11:20:01 +02:00

RfreeFlagsTest.cpp

v1.0.0-rc.172 (#82)

2026-09-22 06:48:37 +02:00

RingsFromProfileTest.cpp

v1.0.0-rc.166 (#76)

2026-09-02 21:17:31 +02:00

ROIIntegrationCPUTest.cpp

v1.0.0-rc.153 (#63)

2026-06-23 20:29:49 +02:00

ROIIntegrationGPUTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

ROIMapTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

RotationIndexerTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

RotationIngestGPUTest.cpp

Scaling: the low-resolution limit bounds the scale fit, not the merge

2026-10-25 07:20:21 +01:00

RotationScaleWalkTest.cpp

rugnux: a rotation scale is integrated with pass 1's lattice refit at it, and walked to the refit's fixed point

2026-10-25 07:20:25 +01:00

RugnuxInputKindTest.cpp

rugnux: a model and a reference among the inputs, in any order, told by their contents

2026-10-26 01:38:25 +01:00

RugnuxLargeTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

RugnuxLiveStatusTest.cpp

rugnux live: a score that is not finite is left out of the status, not sent as null

2026-10-26 15:38:58 +01:00

RugnuxResultFilesTest.cpp

jfjoch_writer: the live refinement's model, maps and blobs are written beside the master file

2026-10-26 15:50:40 +01:00

RugnuxStructureTest.cpp

Rugnux live: the uploaded model is refined after placement; refined scores, model, maps and blobs in the status, the viewer and the hero

2026-10-26 01:38:25 +01:00

RugnuxTest.cpp

rugnux: a placed model is refined by default - giving a model is the opt-in

2026-10-26 01:38:24 +01:00

SaturationCeilingTest.cpp

v1.0.0-rc.178 (#88)

2026-10-21 11:20:01 +02:00

SearchSpaceGroupTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

SearchSpaceGroupTwinTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

ShadowFinderTest.cpp

Polarization plane: measured on the pooled background, refused beyond what a source can give, logged, and kept across passes

2026-10-25 07:20:25 +01:00

SphericalHarmonicSurfaceTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

SpindleBlindFractionTest.cpp

v1.0.0-rc.167 (#77)

2026-09-09 07:25:13 +02:00

SpindleCuspLossTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

SpotExtractorGPUParityTest.cpp

v1.0.0.rc-161 (#71)

2026-08-13 17:03:10 +02:00

SpotFootprintTest.cpp

1.0.0-rc.174 (#84)

2026-10-06 14:03:18 +02:00

SpotTilesTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

SpotUtilsTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

StatusVectorTest.cpp

v1.0.0-rc.127 (#34)

2026-03-02 15:57:12 +01:00

StoredImageDecodeGPUTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

StreamWriterTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

StrongPixelSetTest.cpp

v1.0.0-rc.166 (#76)

2026-09-02 21:17:31 +02:00

SweepLayoutTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00

SyntheticMergedReflections.h

v1.0.0.rc-161 (#71)

2026-08-13 17:03:10 +02:00

TCPImagePusherTest.cpp

v1.0.0-rc.178 (#88)

2026-10-21 11:20:01 +02:00

TestData.h

v1.0.0-rc.153 (#63)

2026-06-23 20:29:49 +02:00

ThreadSafeFIFOSetTest.cpp

v1.0.0-rc.135 (#44)

2026-04-16 11:59:59 +02:00

TIFFTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

TimeTest.cpp

v1.0.0-rc.96 (#1)

2025-11-02 13:45:57 +01:00

TopPixelsTest.cpp

v1.0.0-rc.121 (#28)

2025-12-12 21:24:20 +01:00

TranslationalNCSTest.cpp

v1.0.0-rc.172 (#82)

2026-09-22 06:48:37 +02:00

TwinningAnalysisTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

UnitCellTest.cpp

v1.0.0-rc.146 (#56)

2026-05-28 18:48:35 +02:00

WilsonOutliersTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

WriteReflectionsTest.cpp

v1.0.0-rc.176 (#86)

2026-10-19 07:03:28 +02:00

XDSPluginTest.cpp

v1.0.0-rc.175 (#85)

2026-10-16 15:34:43 +02:00

XFELReaderTest.cpp

v1.0.0-rc.179 (#90)

2026-10-24 14:52:29 +02:00

XtalOptimizerTest.cpp

v1.0.0-rc.166 (#76)

2026-09-02 21:17:31 +02:00

XtalRefineCeres.h

1.0.0-rc.174 (#84)

2026-10-06 14:03:18 +02:00

XtalRefineTest.cpp

1.0.0-rc.174 (#84)

2026-10-06 14:03:18 +02:00

ZMQImagePusherTest.cpp

v1.0.0-rc.178 (#88)

2026-10-21 11:20:01 +02:00

ZMQMetadataSocketTest.cpp

v1.0.0-rc.133

2026-03-26 20:50:33 +01:00

ZMQPreviewSocketTest.cpp

version 1.0.0-rc.25

2024-11-22 21:25:20 +01:00

ZSTDCompressorTest.cpp

v1.0.0-rc.173 (#83)

2026-09-29 15:57:32 +02:00