def _export_merged_mtz(params, experiments, joint_table): """Export merged data.""" # call dials.merge from dials.command_line.merge import merge_data_to_mtz from dials.command_line.merge import phil_scope as merge_phil_scope merge_params = merge_phil_scope.extract() merge_params.reporting.wilson_stats = False merge_params.reporting.merging_stats = False merge_params.assess_space_group = False merge_params.partiality_threshold = params.cut_data.partiality_cutoff mtz_file = merge_data_to_mtz(merge_params, experiments, [joint_table]) logger.info("\nWriting merged data to %s", (params.output.merged_mtz)) out = StringIO() mtz_file.show_summary(out=out) logger.info(out.getvalue()) mtz_file.write(params.output.merged_mtz)
def _export_merged_mtz(params, experiments, joint_table): """Export merged data.""" # call dials.merge from dials.command_line.merge import merge_data_to_mtz from dials.command_line.merge import phil_scope as merge_phil_scope merge_params = merge_phil_scope.extract() logger.disabled = True merge_params.assess_space_group = False merge_params.partiality_threshold = params.cut_data.partiality_cutoff merge_params.output.crystal_names = [params.output.crystal_name] merge_params.output.project_name = params.output.project_name merge_params.best_unit_cell = params.reflection_selection.best_unit_cell mtz_file = merge_data_to_mtz(merge_params, experiments, [joint_table]) logger.disabled = False logger.info("\nWriting merged data to %s", (params.output.merged_mtz)) out = StringIO() mtz_file.show_summary(out=out) logger.info(out.getvalue()) mtz_file.write(params.output.merged_mtz)