mmtbx.max_lik package¶
Submodules¶
mmtbx.max_lik.max_like_non_uniform module¶
- mmtbx.max_lik.max_like_non_uniform.alpha_beta(f_dist, n_atoms_included, n_nonwater_atoms_absent, n_water_atoms_absent, bf_atoms_absent, final_error, absent_atom_type)¶
- mmtbx.max_lik.max_like_non_uniform.f_ordered_solvent(f, n_water_atoms_absent, bf_atoms_absent, absent_atom_type)¶
- mmtbx.max_lik.max_like_non_uniform.form_factor(absent_atom_type, ss)¶
- mmtbx.max_lik.max_like_non_uniform.map_of_coeff_scaled(mask_map, structure, nxyz)¶
- class mmtbx.max_lik.max_like_non_uniform.ordered_solvent_distribution(structure=None, fo=None, grid_step=None, rad=None, n_real=None, nshells=-1)¶
Bases:
object- distribution_as_array()¶
- distribution_as_xplor_file(file_name=None)¶
- fcalc_from_distribution()¶
- max_number_of_shells()¶
- print_all_reflections_in_file(file_name=None)¶
mmtbx.max_lik.maxlik module¶
- class mmtbx.max_lik.maxlik.alpha_beta(f_obs=None, f_calc=None, free_reflections_per_bin=None, flags=None, verbose=None, n_atoms_absent=None, n_atoms_included=None, bf_atoms_absent=None, final_error=None, absent_atom_type=None, method=None, interpolation=None)¶
Bases:
object- alpha_beta()¶
- class mmtbx.max_lik.maxlik.alpha_beta_calc(f, n_atoms_absent, n_atoms_included, bf_atoms_absent, final_error, absent_atom_type)¶
Bases:
object- alpha_beta()¶
- form_factor(ss)¶
- class mmtbx.max_lik.maxlik.alpha_beta_est_manager(f_obs, f_calc, free_reflections_per_bin, flags, interpolation, epsilons)¶
Bases:
object- alpha_beta()¶
- alpha_beta_for_each_reflection(f_obs=None)¶
- smooth(x)¶
- mmtbx.max_lik.maxlik.figures_of_merit_(f_obs, f_calc, alpha, beta)¶
- mmtbx.max_lik.maxlik.fo_fc_alpha_over_eps_beta(f_obs, f_model, alpha, beta)¶
- mmtbx.max_lik.maxlik.fom(t, lcent)¶
- mmtbx.max_lik.maxlik.phase_error(f_obs, f_calc, alpha, beta)¶
- mmtbx.max_lik.maxlik.sigma_miss(miller_array, n_atoms_absent, bf_atoms_absent, absent_atom_type)¶