cctbx.r_free_utils module

cctbx.r_free_utils.adjust_fraction(miller_array, fraction, log=None)

Expand or shrink an existing set of R-free flags to match the target fraction.

cctbx.r_free_utils.assign_r_free_flags_by_shells(n_refl, fraction_free, n_bins)

cctbx.r_free_utils.assign_random_r_free_flags(n_refl, fraction_free, format='cns')

cctbx.r_free_utils.export_r_free_flags_for_ccp4(flags, test_flag_value)

cctbx.r_free_utils.export_r_free_flags_for_shelx(flags, test_flag_value)

cctbx.r_free_utils.extend_flags(r_free_flags, test_flag_value, array_label, complete_set=None, accumulation_callback=None, preserve_input_values=False, allow_uniform_flags=False, d_max=None, d_min=None, log=None)

cctbx.r_free_utils.get_r_free_as_bool(miller_array, test_flag_value=0)

cctbx.r_free_utils.get_r_free_stats(miller_array, test_flag_value)

cctbx.r_free_utils.looks_like_ccp4_flags(flags)

cctbx.r_free_utils.remediate_mismatches(array, verbose=False, log=None)

Given a set of R-free flags generated for anomalous data, detect any mismatches between Friedel/Bijvoet mates, and move reflections to the free set as needed to ensure consistency.