v1.0.0-rc.72

2025-09-08 20:28:59 +02:00
parent 6c88c6902e
commit c67337cfe1
275 changed files with 7525 additions and 1039 deletions
@@ -209,8 +209,9 @@ TEST_CASE("JFJochIntegrationTest_ZMQ_lysozyme_spot_and_index_refinement_tetragon
            .FilePrefix("lyso_test_refinement_tetragonal").JungfrauConvPhotonCnt(false).SetFileWriterFormat(
                    FileWriterFormat::NXmxVDS).OverwriteExistingFiles(true)
            .DetectorDistance_mm(75).BeamY_pxl(1136).BeamX_pxl(1090).IncidentEnergy_keV(12.4)
-            .SetUnitCell(UnitCell{.a = 36.9, .b = 78.95, .c = 78.95, .alpha =90, .beta = 90, .gamma = 90})
-            .GeomRefinementAlgorithm(GeomRefinementAlgorithmEnum::BeamCenterTetragonal);
+            .SetUnitCell(UnitCell{.a = 36.9, .b = 78.95, .c = 78.95, .alpha = 90, .beta = 90, .gamma = 90})
+            .GeomRefinementAlgorithm(GeomRefinementAlgorithmEnum::BeamCenterSymmetry)
+            .SpaceGroupNumber(96);
    experiment.SampleTemperature_K(123.0).RingCurrent_mA(115);

    PixelMask pixel_mask(experiment);