Exemplo n.º 1
0
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)
Exemplo n.º 2
0
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)