From d0538ef046ad25846c1832631e45935f0433af85 Mon Sep 17 00:00:00 2001 From: James Beilsten-Edmands <30625594+jbeilstenedmands@users.noreply.github.com> Date: Tue, 12 Sep 2023 10:32:40 +0100 Subject: [PATCH] Add missing call to generate r-free-flags --- src/dials/algorithms/merging/merge.py | 8 +++++++- 1 file changed, 7 insertions(+), 1 deletion(-) diff --git a/src/dials/algorithms/merging/merge.py b/src/dials/algorithms/merging/merge.py index 7b201083e3..1757dac567 100644 --- a/src/dials/algorithms/merging/merge.py +++ b/src/dials/algorithms/merging/merge.py @@ -502,7 +502,13 @@ def merge_scaled_array_to_mtz_with_report_collection( process_merged_data( params, mtz_dataset, merged, merged_anomalous, stats_summary ) - mtz = make_merged_mtz_file([mtz_dataset]) + if params.r_free_flags.reference: + r_free_array = r_free_flags_from_reference(params, [mtz_dataset]) + elif params.r_free_flags.generate: + r_free_array = generate_r_free_flags(params, [mtz_dataset]) + else: + r_free_array = None + mtz = make_merged_mtz_file([mtz_dataset], r_free_array=r_free_array) json_data = collector.create_json() return mtz, json_data