snum.metacif { atom_sites_solution_primary = *? difmap vecmap heavy direct geom disper isormor notdet dual other .type = choice cell_measurement_reflns_used = None .type = int(value_min=0) cell_measurement_theta_max = None .type = float(value_min=0.0, value_max=90.0) cell_measurement_theta_min = None .type = float(value_min=0.0, value_max=90.0) cell_measurement_temperature = None #.type = float(value_min=0.0) .type = str chemical_name_systematic = None .type = str computing_cell_refinement = None .type = str computing_data_collection = None .type = str computing_data_reduction = None .type = str computing_molecular_graphics = 'OLEX2: a complete structure solution, refinement and analysis program. Dolomanov et al., J. Appl. Cryst. (2009). 42, 339-341' .type = str computing_publication_material = 'OLEX2: a complete structure solution, refinement and analysis program. Dolomanov et al., J. Appl. Cryst. (2009). 42, 339-341' .type = str computing_structure_solution = None .type = str diffrn_ambient_temperature = None #.type = float(value_min=0.0) .type = str diffrn_special_details = None .type = str diffrn_measurement_device = None .type = str diffrn_measurement_device_type = None .type = str diffrn_measurement_method = None .type = str diffrn_measurement_details = None .type = str diffrn_radiation_collimation = None .type = str diffrn_radiation_filter_edge = None .type = float(value_min=0.0) diffrn_radiation_inhomogeneity = None .type = float(value_min=0.0) diffrn_radiation_monochromator = None .type = str diffrn_radiation_polarisn_norm = None .type = float(value_min=-180.0, value_max=180.0) diffrn_radiation_polarisn_ratio = None .type = float(value_min=0.0) diffrn_radiation_probe = *? x-ray neutron electron gamma .type = choice diffrn_radiation_type = None .type = str diffrn_radiation_xray_symbol = *? 'K-L~3~' 'K-L~2~' 'K-M~3~' 'K-L~2,3~' .type = choice diffrn_radiation_wavelength = None .type = float(value_min=0.0) diffrn_source = None .type = str diffrn_source_current = None .type = float(value_min=0.0) diffrn_source_power = None .type = float(value_min=0.0) diffrn_source_voltage = None .type = float(value_min=0.0) diffrn_source_target = None .type = str diffrn_source_type = None .type = str # diffrn_refln_scan_width = None # .type = float(value_min=0.0) diffrn_detector = None .type = str diffrn_detector_type = None .type = str diffrn_detector_area_resol_mean = None .type = float(value_min=0.0) diffrn_orient_matrix_UB_11 = None .type = float diffrn_orient_matrix_UB_12 = None .type = float diffrn_orient_matrix_UB_13 = None .type = float diffrn_orient_matrix_UB_21 = None .type = float diffrn_orient_matrix_UB_22 = None .type = float diffrn_orient_matrix_UB_23 = None .type = float diffrn_orient_matrix_UB_31 = None .type = float diffrn_orient_matrix_UB_32 = None .type = float diffrn_orient_matrix_UB_33 = None .type = float exptl_absorpt_correction_type = *? analytical cylinder empirical gaussian integration multi-scan none numerical psi-scan refdelf sphere .type = choice exptl_absorpt_correction_T_max = None .type = float(value_min=0.0, value_max=1.0) exptl_absorpt_correction_T_min = None .type = float(value_min=0.0, value_max=1.0) exptl_absorpt_process_details = None .type = str exptl_crystal_density_meas = None .type = float(value_min=0.0) exptl_crystal_colour = None .type = str exptl_crystal_colour_primary= *? colourless white black gray brown red pink orange yellow green blue violet .type = choice exptl_crystal_colour_lustre = *? . metallic dull clear .type = choice exptl_crystal_colour_modifier = *? . light dark whitish blackish grayish brownish reddish pinkish orangish yellowish greenish bluish .type = choice exptl_crystal_size_min = None .type = float(value_min=0.0) exptl_crystal_size_mid = None .type = float(value_min=0.0) exptl_crystal_size_max = None .type = float(value_min=0.0) exptl_crystal_description = None .type = str exptl_crystal_recrystallization_method = None .type = str exptl_crystal_preparation = None .type = str exptl_special_details = None .type = str publ_author_names = None .type = str publ_contact_letter = None .type = str publ_author_name_list = None .type = str publ_requested_journal = None .type = str }