Ejemplo n.º 1
0
def _export_unmerged_mtz(params, experiments, reflection_table):
    """Export data to unmerged_mtz format."""
    from dials.command_line.export import export_mtz
    from dials.command_line.export import phil_scope as export_phil_scope

    export_params = export_phil_scope.extract()
    export_params.intensity = ["scale"]
    export_params.mtz.partiality_threshold = params.cut_data.partiality_cutoff
    export_params.mtz.crystal_name = params.output.crystal_name
    if params.cut_data.d_min:
        export_params.mtz.d_min = params.cut_data.d_min
    logger.info("\nSaving output to an unmerged mtz file to %s.",
                params.output.unmerged_mtz)
    export_params.mtz.hklout = params.output.unmerged_mtz
    export_mtz(export_params, experiments, [reflection_table])
Ejemplo n.º 2
0
 def export_unmerged_mtz(self, filename, d_min=None):
     params = export.phil_scope.extract()
     params.mtz.d_min = d_min
     params.mtz.hklout = filename
     params.intensity = ["scale"]
     export.export_mtz(params, self._experiments, [self._reflections])