From 9abe738ad2b6b0149e64ac7904445d8531253591 Mon Sep 17 00:00:00 2001 From: James Beilsten-Edmands <30625594+jbeilstenedmands@users.noreply.github.com> Date: Tue, 9 Jan 2024 13:44:40 +0000 Subject: [PATCH] Minor change --- src/dials/util/reindex.py | 6 ++---- 1 file changed, 2 insertions(+), 4 deletions(-) diff --git a/src/dials/util/reindex.py b/src/dials/util/reindex.py index 566bad0add..03fef9c76e 100644 --- a/src/dials/util/reindex.py +++ b/src/dials/util/reindex.py @@ -75,9 +75,7 @@ def change_of_basis_op_against_reference( ), "No 'intensity.sum.value' in reflections" table.set_flags(flex.bool(table.size(), True), table.flags.integrated_sum) # Make miller array of the datasets - cell = determine_best_unit_cell(experiments) - for expt in experiments: - expt.crystal.set_unit_cell(cell) + best_cell = determine_best_unit_cell(experiments) filter_logger = logging.getLogger("dials.util.filter_reflections") filter_logger.disabled = True test_miller_sets = filtered_arrays_from_experiments_reflections( @@ -86,7 +84,7 @@ def change_of_basis_op_against_reference( test_miller_set = test_miller_sets[0] for d in test_miller_sets[1:]: test_miller_set = test_miller_set.concatenate(d) - + test_miller_set = test_miller_set.customized_copy(unit_cell=best_cell) change_of_basis_op = determine_reindex_operator_against_reference( test_miller_set, reference_miller_set )