diff --git a/src/dials/algorithms/refinement/reflection_manager.py b/src/dials/algorithms/refinement/reflection_manager.py index 5e8e8f438a..f62dbb259d 100644 --- a/src/dials/algorithms/refinement/reflection_manager.py +++ b/src/dials/algorithms/refinement/reflection_manager.py @@ -104,7 +104,7 @@ "whether the case is for stills or scans. The default gives" "unit weighting." .type = floats(size = 3, value_min = 0) - wavelength_weight = 1e7 + wavelength_weight = 1e4 .help = "Weight for the wavelength term in the target function for" "Laue refinement" .type = float(value_min = 0) @@ -388,7 +388,7 @@ def laue_manager( ## Outlier detection if params.outlier.algorithm in ("auto", libtbx.Auto): - params.outlier.algorithm = "sauter_poon" + params.outlier.algorithm = "mcd" if params.outlier.sauter_poon.px_sz is libtbx.Auto: # get this from the first panel of the first detector params.outlier.sauter_poon.px_sz = experiments.detectors()[0][ @@ -411,13 +411,18 @@ def laue_manager( ## Weighting strategy if params.weighting_strategy.override == "statistical": - params.weighting_strategy.override == "statistical_laue" + params.weighting_strategy.override = "statistical_laue" elif params.weighting_strategy.override == "constant": params.weighting_strategy.override = "constant_laue" - elif params.weighting_strategy.override is not None: - raise ValueError( - f"{params.weighting_strategy.override} not compatible with Laue data" - ) + + if params.weighting_strategy.override is not None: + if params.weighting_strategy.override not in [ + "constant_laue", + "statistical_laue", + ]: + raise ValueError( + f"{params.weighting_strategy.override} not compatible with Laue data" + ) weighting_strategy = ReflectionManagerFactory.get_weighting_strategy_override( params