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Set more scale parameters, remove unnecessary loads
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jbeilstenedmands committed Apr 9, 2024
1 parent 949360e commit 106eb1d
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Showing 2 changed files with 5 additions and 7 deletions.
5 changes: 5 additions & 0 deletions src/xia2/Modules/SSX/batch_scale.py
Original file line number Diff line number Diff line change
Expand Up @@ -43,6 +43,11 @@ def __init__(
params.model = "KB"
params.scaling_options.full_matrix = False
params.weighting.error_model.error_model = None
params.scaling_options.outlier_rejection = "simple"
params.reflection_selection.min_partiality = 0.25
params.reflection_selection.method = "intensity_ranges"
params.reflection_selection.Isigma_range = [2, 0]
params.cut_data.partiality_cutoff = 0.25
self.params = params
self.input_sg = space_group
self.reference = reference
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7 changes: 0 additions & 7 deletions src/xia2/Modules/SSX/data_reduction_programs.py
Original file line number Diff line number Diff line change
Expand Up @@ -883,14 +883,7 @@ def scale_reindex(
assert reference # we should not be calling this path without a reference
space_group = reduction_params.space_group.group()

expts = []
refls = []

logfile = "dials.scale_reindex.log"
for batch in batches_for_reindex:
for filepair in batch.filepairs:
expts.append(load.experiment_list(filepair.expt, check_format=False))
refls.append(flex.reflection_table.from_file(filepair.refl))
batches_to_scale = [fp for batch in batches_for_reindex for fp in batch.filepairs]
with run_in_directory(working_directory), record_step("scale_reindex"), log_to_file(
logfile
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