Core dictionary (coreCIF) version 2.3.2 definitions

• Revision history
  
• _atom_site_[]
• _atom_site_adp_type
• _atom_site_aniso_B_11
• _atom_site_aniso_B_12
• _atom_site_aniso_B_13
• _atom_site_aniso_B_22
• _atom_site_aniso_B_23
• _atom_site_aniso_B_33
• _atom_site_aniso_label
• _atom_site_aniso_ratio
• _atom_site_aniso_type_symbol
• _atom_site_aniso_U_11
• _atom_site_aniso_U_12
• _atom_site_aniso_U_13
• _atom_site_aniso_U_22
• _atom_site_aniso_U_23
• _atom_site_aniso_U_33
• _atom_site_attached_hydrogens
• _atom_site_B_equiv_geom_mean
• _atom_site_B_iso_or_equiv
• _atom_site_calc_attached_atom
• _atom_site_calc_flag
• _atom_site_Cartn_x
• _atom_site_Cartn_y
• _atom_site_Cartn_z
• _atom_site_chemical_conn_number
• _atom_site_constraints
• _atom_site_description
• _atom_site_disorder_assembly
• _atom_site_disorder_group
• _atom_site_fract_x
• _atom_site_fract_y
• _atom_site_fract_z
• _atom_site_label
• _atom_site_label_component_0
• _atom_site_label_component_1
• _atom_site_label_component_2
• _atom_site_label_component_3
• _atom_site_label_component_4
• _atom_site_label_component_5
• _atom_site_label_component_6
• _atom_site_occupancy
• _atom_site_refinement_flags
• _atom_site_refinement_flags_adp
• _atom_site_refinement_flags_occupancy
• _atom_site_refinement_flags_posn
• _atom_site_restraints
• _atom_site_symmetry_multiplicity
• _atom_site_thermal_displace_type
• _atom_site_type_symbol
• _atom_site_U_equiv_geom_mean
• _atom_site_U_iso_or_equiv
• _atom_site_Wyckoff_symbol
• _atom_sites_[]
• _atom_sites_Cartn_tran_matrix_11
• _atom_sites_Cartn_tran_matrix_12
• _atom_sites_Cartn_tran_matrix_13
• _atom_sites_Cartn_tran_matrix_21
• _atom_sites_Cartn_tran_matrix_22
• _atom_sites_Cartn_tran_matrix_23
• _atom_sites_Cartn_tran_matrix_31
• _atom_sites_Cartn_tran_matrix_32
• _atom_sites_Cartn_tran_matrix_33
• _atom_sites_Cartn_transform_axes
• _atom_sites_Cartn_tran_vector_1
• _atom_sites_Cartn_tran_vector_2
• _atom_sites_Cartn_tran_vector_3
• _atom_sites_fract_tran_matrix_11
• _atom_sites_fract_tran_matrix_12
• _atom_sites_fract_tran_matrix_13
• _atom_sites_fract_tran_matrix_21
• _atom_sites_fract_tran_matrix_22
• _atom_sites_fract_tran_matrix_23
• _atom_sites_fract_tran_matrix_31
• _atom_sites_fract_tran_matrix_32
• _atom_sites_fract_tran_matrix_33
• _atom_sites_fract_tran_vector_1
• _atom_sites_fract_tran_vector_2
• _atom_sites_fract_tran_vector_3
• _atom_sites_solution_primary
• _atom_sites_solution_secondary
• _atom_sites_solution_hydrogens
• _atom_sites_special_details
• _atom_type_[]
• _atom_type_analytical_mass_%
• _atom_type_description
• _atom_type_number_in_cell
• _atom_type_oxidation_number
• _atom_type_radius_bond
• _atom_type_radius_contact
• _atom_type_scat_Cromer_Mann_a1
• _atom_type_scat_Cromer_Mann_a2
• _atom_type_scat_Cromer_Mann_a3
• _atom_type_scat_Cromer_Mann_a4
• _atom_type_scat_Cromer_Mann_b1
• _atom_type_scat_Cromer_Mann_b2
• _atom_type_scat_Cromer_Mann_b3
• _atom_type_scat_Cromer_Mann_b4
• _atom_type_scat_Cromer_Mann_c
• _atom_type_scat_dispersion_imag
• _atom_type_scat_dispersion_real
• _atom_type_scat_dispersion_source
• _atom_type_scat_length_neutron
• _atom_type_scat_source
• _atom_type_scat_versus_stol_list
• _atom_type_symbol
• _audit_[]
• _audit_block_code
• _audit_creation_date
• _audit_creation_method
• _audit_update_record
• _audit_author_[]
• _audit_author_address
• _audit_author_name
• _audit_conform_[]
• _audit_conform_dict_location
• _audit_conform_dict_name
• _audit_conform_dict_version
• _audit_contact_author_[]
• _audit_contact_author_address
• _audit_contact_author_email
• _audit_contact_author_fax
• _audit_contact_author_name
• _audit_contact_author_phone
• _audit_link_[]
• _audit_link_block_code
• _audit_link_block_description
• _cell_[]
• _cell_angle_alpha
• _cell_angle_beta
• _cell_angle_gamma
• _cell_formula_units_Z
• _cell_length_a
• _cell_length_b
• _cell_length_c
• _cell_measurement_pressure
• _cell_measurement_radiation
• _cell_measurement_reflns_used
• _cell_measurement_temperature
• _cell_measurement_theta_max
• _cell_measurement_theta_min
• _cell_measurement_wavelength
• _cell_reciprocal_angle_alpha
• _cell_reciprocal_angle_beta
• _cell_reciprocal_angle_gamma
• _cell_reciprocal_length_a
• _cell_reciprocal_length_b
• _cell_reciprocal_length_c
• _cell_special_details
• _cell_volume
• _cell_measurement_refln_[]
• _cell_measurement_refln_index_h
• _cell_measurement_refln_index_k
• _cell_measurement_refln_index_l
• _cell_measurement_refln_theta
• _chemical_[]
• _chemical_absolute_configuration
• _chemical_compound_source
• _chemical_melting_point
• _chemical_melting_point_gt
• _chemical_melting_point_lt
• _chemical_name_common
• _chemical_name_mineral
• _chemical_name_structure_type
• _chemical_name_systematic
• _chemical_optical_rotation
• _chemical_properties_biological
• _chemical_properties_physical
• _chemical_temperature_decomposition
• _chemical_temperature_decomposition_gt
• _chemical_temperature_decomposition_lt
• _chemical_temperature_sublimation
• _chemical_temperature_sublimation_gt
• _chemical_temperature_sublimation_lt
• _chemical_conn_atom_[]
• _chemical_conn_atom_charge
• _chemical_conn_atom_display_x
• _chemical_conn_atom_display_y
• _chemical_conn_atom_NCA
• _chemical_conn_atom_NH
• _chemical_conn_atom_number
• _chemical_conn_atom_type_symbol
• _chemical_conn_bond_[]
• _chemical_conn_bond_atom_1
• _chemical_conn_bond_atom_2
• _chemical_conn_bond_type
• _chemical_formula_[]
• _chemical_formula_analytical
• _chemical_formula_iupac
• _chemical_formula_moiety
• _chemical_formula_structural
• _chemical_formula_sum
• _chemical_formula_weight
• _chemical_formula_weight_meas
• _citation_[]
• _citation_abstract
• _citation_abstract_id_CAS
• _citation_book_id_ISBN
• _citation_book_publisher
• _citation_book_publisher_city
• _citation_book_title
• _citation_coordinate_linkage
• _citation_country
• _citation_database_id_CSD
• _citation_database_id_Medline
• _citation_id
• _citation_journal_abbrev
• _citation_journal_id_ASTM
• _citation_journal_id_CSD
• _citation_journal_id_ISSN
• _citation_journal_full
• _citation_journal_issue
• _citation_journal_volume
• _citation_language
• _citation_page_first
• _citation_page_last
• _citation_special_details
• _citation_title
• _citation_year
• _citation_author_[]
• _citation_author_citation_id
• _citation_author_name
• _citation_author_ordinal
• _citation_editor_[]
• _citation_editor_citation_id
• _citation_editor_name
• _citation_editor_ordinal
• _computing_[]
• _computing_cell_refinement
• _computing_data_collection
• _computing_data_reduction
• _computing_molecular_graphics
• _computing_publication_material
• _computing_structure_refinement
• _computing_structure_solution
• _database_[]
• _database_code_CAS
• _database_code_CSD
• _database_code_ICSD
• _database_code_MDF
• _database_code_NBS
• _database_code_PDB
• _database_code_PDF
• _database_code_depnum_ccdc_fiz
• _database_code_depnum_ccdc_journal
• _database_code_depnum_ccdc_archive
• _database_CSD_history
• _database_journal_ASTM
• _database_journal_CSD
• _diffrn_[]
• _diffrn_ambient_environment
• _diffrn_ambient_pressure
• _diffrn_ambient_pressure_gt
• _diffrn_ambient_pressure_lt
• _diffrn_ambient_temperature
• _diffrn_ambient_temperature_gt
• _diffrn_ambient_temperature_lt
• _diffrn_crystal_treatment
• _diffrn_measured_fraction_theta_full
• _diffrn_measured_fraction_theta_max
• _diffrn_special_details
• _diffrn_symmetry_description
• _diffrn_attenuator_[]
• _diffrn_attenuator_code
• _diffrn_attenuator_material
• _diffrn_attenuator_scale
• _diffrn_detector_[]
• _diffrn_detector
• _diffrn_detector_area_resol_mean
• _diffrn_detector_details
• _diffrn_detector_dtime
• _diffrn_detector_type
• _diffrn_radiation_detector
• _diffrn_radiation_detector_dtime
• _diffrn_measurement_[]
• _diffrn_measurement_details
• _diffrn_measurement_device
• _diffrn_measurement_device_details
• _diffrn_measurement_device_type
• _diffrn_measurement_method
• _diffrn_measurement_specimen_support
• _diffrn_orient_matrix_[]
• _diffrn_orient_matrix_type
• _diffrn_orient_matrix_UB_11
• _diffrn_orient_matrix_UB_12
• _diffrn_orient_matrix_UB_13
• _diffrn_orient_matrix_UB_21
• _diffrn_orient_matrix_UB_22
• _diffrn_orient_matrix_UB_23
• _diffrn_orient_matrix_UB_31
• _diffrn_orient_matrix_UB_32
• _diffrn_orient_matrix_UB_33
• _diffrn_orient_refln_[]
• _diffrn_orient_refln_angle_chi
• _diffrn_orient_refln_angle_kappa
• _diffrn_orient_refln_angle_omega
• _diffrn_orient_refln_angle_phi
• _diffrn_orient_refln_angle_psi
• _diffrn_orient_refln_angle_theta
• _diffrn_orient_refln_index_h
• _diffrn_orient_refln_index_k
• _diffrn_orient_refln_index_l
• _diffrn_radiation_[]
• _diffrn_radiation_collimation
• _diffrn_radiation_filter_edge
• _diffrn_radiation_inhomogeneity
• _diffrn_radiation_monochromator
• _diffrn_radiation_polarisn_norm
• _diffrn_radiation_polarisn_ratio
• _diffrn_radiation_probe
• _diffrn_radiation_type
• _diffrn_radiation_xray_symbol
• _diffrn_radiation_wavelength_[]
• _diffrn_radiation_wavelength
• _diffrn_radiation_wavelength_id
• _diffrn_radiation_wavelength_wt
• _diffrn_refln_[]
• _diffrn_refln_angle_chi
• _diffrn_refln_angle_kappa
• _diffrn_refln_angle_omega
• _diffrn_refln_angle_phi
• _diffrn_refln_angle_psi
• _diffrn_refln_angle_theta
• _diffrn_refln_attenuator_code
• _diffrn_refln_class_code
• _diffrn_refln_counts_bg_1
• _diffrn_refln_counts_bg_2
• _diffrn_refln_counts_net
• _diffrn_refln_counts_peak
• _diffrn_refln_counts_total
• _diffrn_refln_crystal_id
• _diffrn_refln_detect_slit_horiz
• _diffrn_refln_detect_slit_vert
• _diffrn_refln_elapsed_time
• _diffrn_refln_index_h
• _diffrn_refln_index_k
• _diffrn_refln_index_l
• _diffrn_refln_intensity_net
• _diffrn_refln_intensity_sigma
• _diffrn_refln_intensity_u
• _diffrn_refln_scale_group_code
• _diffrn_refln_scan_mode
• _diffrn_refln_scan_mode_backgd
• _diffrn_refln_scan_rate
• _diffrn_refln_scan_time_backgd
• _diffrn_refln_scan_width
• _diffrn_refln_sint/lambda
• _diffrn_refln_standard_code
• _diffrn_refln_wavelength
• _diffrn_refln_wavelength_id
• _diffrn_reflns_[]
• _diffrn_reflns_av_R_equivalents
• _diffrn_reflns_av_sigmaI/netI
• _diffrn_reflns_av_unetI/netI
• _diffrn_reflns_limit_h_max
• _diffrn_reflns_limit_h_min
• _diffrn_reflns_limit_k_max
• _diffrn_reflns_limit_k_min
• _diffrn_reflns_limit_l_max
• _diffrn_reflns_limit_l_min
• _diffrn_reflns_number
• _diffrn_reflns_reduction_process
• _diffrn_reflns_resolution_full
• _diffrn_reflns_resolution_max
• _diffrn_reflns_theta_full
• _diffrn_reflns_theta_max
• _diffrn_reflns_theta_min
• _diffrn_reflns_transf_matrix_11
• _diffrn_reflns_transf_matrix_12
• _diffrn_reflns_transf_matrix_13
• _diffrn_reflns_transf_matrix_21
• _diffrn_reflns_transf_matrix_22
• _diffrn_reflns_transf_matrix_23
• _diffrn_reflns_transf_matrix_31
• _diffrn_reflns_transf_matrix_32
• _diffrn_reflns_transf_matrix_33
• _diffrn_reflns_class_[]
• _diffrn_reflns_class_av_R_eq
• _diffrn_reflns_class_av_sgI/I
• _diffrn_reflns_class_av_uI/I
• _diffrn_reflns_class_code
• _diffrn_reflns_class_description
• _diffrn_reflns_class_d_res_high
• _diffrn_reflns_class_d_res_low
• _diffrn_reflns_class_number
• _diffrn_scale_group_[]
• _diffrn_scale_group_code
• _diffrn_scale_group_I_net
• _diffrn_source_[]
• _diffrn_radiation_source
• _diffrn_source
• _diffrn_source_current
• _diffrn_source_details
• _diffrn_source_power
• _diffrn_source_size
• _diffrn_source_take-off_angle
• _diffrn_source_target
• _diffrn_source_type
• _diffrn_source_voltage
• _diffrn_standard_refln_[]
• _diffrn_standard_refln_code
• _diffrn_standard_refln_index_h
• _diffrn_standard_refln_index_k
• _diffrn_standard_refln_index_l
• _diffrn_standards_[]
• _diffrn_standards_decay_%
• _diffrn_standards_interval_count
• _diffrn_standards_interval_time
• _diffrn_standards_number
• _diffrn_standards_scale_sigma
• _diffrn_standards_scale_u
• _exptl_[]
• _exptl_absorpt_coefficient_mu
• _exptl_absorpt_correction_T_max
• _exptl_absorpt_correction_T_min
• _exptl_absorpt_correction_type
• _exptl_absorpt_process_details
• _exptl_crystals_number
• _exptl_special_details
• _exptl_crystal_[]
• _exptl_crystal_colour
• _exptl_crystal_colour_lustre
• _exptl_crystal_colour_modifier
• _exptl_crystal_colour_primary
• _exptl_crystal_density_diffrn
• _exptl_crystal_density_meas
• _exptl_crystal_density_meas_gt
• _exptl_crystal_density_meas_lt
• _exptl_crystal_density_meas_temp
• _exptl_crystal_density_meas_temp_gt
• _exptl_crystal_density_meas_temp_lt
• _exptl_crystal_density_method
• _exptl_crystal_description
• _exptl_crystal_F_000
• _exptl_crystal_id
• _exptl_crystal_preparation
• _exptl_crystal_pressure_history
• _exptl_crystal_recrystallization_method
• _exptl_crystal_size_length
• _exptl_crystal_size_max
• _exptl_crystal_size_mid
• _exptl_crystal_size_min
• _exptl_crystal_size_rad
• _exptl_crystal_thermal_history
• _exptl_crystal_face_[]
• _exptl_crystal_face_diffr_chi
• _exptl_crystal_face_diffr_kappa
• _exptl_crystal_face_diffr_phi
• _exptl_crystal_face_diffr_psi
• _exptl_crystal_face_index_h
• _exptl_crystal_face_index_k
• _exptl_crystal_face_index_l
• _exptl_crystal_face_perp_dist
• _geom_[]
• _geom_special_details
• _geom_angle_[]
• _geom_angle
• _geom_angle_atom_site_label_1
• _geom_angle_atom_site_label_2
• _geom_angle_atom_site_label_3
• _geom_angle_publ_flag
• _geom_angle_site_symmetry_1
• _geom_angle_site_symmetry_2
• _geom_angle_site_symmetry_3
• _geom_bond_[]
• _geom_bond_atom_site_label_1
• _geom_bond_atom_site_label_2
• _geom_bond_distance
• _geom_bond_publ_flag
• _geom_bond_site_symmetry_1
• _geom_bond_site_symmetry_2
• _geom_bond_valence
• _geom_contact_[]
• _geom_contact_atom_site_label_1
• _geom_contact_atom_site_label_2
• _geom_contact_distance
• _geom_contact_publ_flag
• _geom_contact_site_symmetry_1
• _geom_contact_site_symmetry_2
• _geom_hbond_[]
• _geom_hbond_angle_DHA
• _geom_hbond_atom_site_label_D
• _geom_hbond_atom_site_label_H
• _geom_hbond_atom_site_label_A
• _geom_hbond_distance_DH
• _geom_hbond_distance_HA
• _geom_hbond_distance_DA
• _geom_hbond_publ_flag
• _geom_hbond_site_symmetry_D
• _geom_hbond_site_symmetry_H
• _geom_hbond_site_symmetry_A
• _geom_torsion_[]
• _geom_torsion
• _geom_torsion_atom_site_label_1
• _geom_torsion_atom_site_label_2
• _geom_torsion_atom_site_label_3
• _geom_torsion_atom_site_label_4
• _geom_torsion_publ_flag
• _geom_torsion_site_symmetry_1
• _geom_torsion_site_symmetry_2
• _geom_torsion_site_symmetry_3
• _geom_torsion_site_symmetry_4
• _journal_[]
• _journal_coden_ASTM
• _journal_coden_Cambridge
• _journal_coeditor_address
• _journal_coeditor_code
• _journal_coeditor_email
• _journal_coeditor_fax
• _journal_coeditor_name
• _journal_coeditor_notes
• _journal_coeditor_phone
• _journal_data_validation_number
• _journal_date_accepted
• _journal_date_from_coeditor
• _journal_date_to_coeditor
• _journal_date_printers_final
• _journal_date_printers_first
• _journal_date_proofs_in
• _journal_date_proofs_out
• _journal_date_recd_copyright
• _journal_date_recd_electronic
• _journal_date_recd_hard_copy
• _journal_issue
• _journal_language
• _journal_name_full
• _journal_page_first
• _journal_page_last
• _journal_paper_category
• _journal_suppl_publ_number
• _journal_suppl_publ_pages
• _journal_techeditor_address
• _journal_techeditor_code
• _journal_techeditor_email
• _journal_techeditor_fax
• _journal_techeditor_name
• _journal_techeditor_notes
• _journal_techeditor_phone
• _journal_volume
• _journal_year
• _journal_index_[]
• _journal_index_subterm
• _journal_index_term
• _journal_index_type
• _publ_[]
• _publ_contact_author
• _publ_contact_author_address
• _publ_contact_author_email
• _publ_contact_author_fax
• _publ_contact_author_id_iucr
• _publ_contact_author_name
• _publ_contact_author_phone
• _publ_contact_letter
• _publ_manuscript_creation
• _publ_manuscript_processed
• _publ_manuscript_text
• _publ_requested_category
• _publ_requested_coeditor_name
• _publ_requested_journal
• _publ_section_title
• _publ_section_title_footnote
• _publ_section_synopsis
• _publ_section_abstract
• _publ_section_comment
• _publ_section_introduction
• _publ_section_experimental
• _publ_section_exptl_prep
• _publ_section_exptl_refinement
• _publ_section_exptl_solution
• _publ_section_discussion
• _publ_section_acknowledgements
• _publ_section_references
• _publ_section_related_literature
• _publ_section_figure_captions
• _publ_section_table_legends
• _publ_author_[]
• _publ_author_address
• _publ_author_footnote
• _publ_author_email
• _publ_author_id_iucr
• _publ_author_name
• _publ_body_[]
• _publ_body_contents
• _publ_body_element
• _publ_body_format
• _publ_body_label
• _publ_body_title
• _publ_manuscript_incl_[]
• _publ_manuscript_incl_extra_defn
• _publ_manuscript_incl_extra_info
• _publ_manuscript_incl_extra_item
• _refine_[]
• _refine_diff_density_max
• _refine_diff_density_min
• _refine_diff_density_rms
• _refine_ls_abs_structure_details
• _refine_ls_abs_structure_Flack
• _refine_ls_abs_structure_Rogers
• _refine_ls_d_res_high
• _refine_ls_d_res_low
• _refine_ls_extinction_coef
• _refine_ls_extinction_expression
• _refine_ls_extinction_method
• _refine_ls_goodness_of_fit_all
• _refine_ls_goodness_of_fit_gt
• _refine_ls_goodness_of_fit_obs
• _refine_ls_goodness_of_fit_ref
• _refine_ls_hydrogen_treatment
• _refine_ls_matrix_type
• _refine_ls_number_constraints
• _refine_ls_number_parameters
• _refine_ls_number_reflns
• _refine_ls_number_restraints
• _refine_ls_R_factor_all
• _refine_ls_R_factor_gt
• _refine_ls_R_factor_obs
• _refine_ls_R_Fsqd_factor
• _refine_ls_R_I_factor
• _refine_ls_restrained_S_all
• _refine_ls_restrained_S_gt
• _refine_ls_restrained_S_obs
• _refine_ls_shift/esd_max
• _refine_ls_shift/esd_mean
• _refine_ls_shift/su_max
• _refine_ls_shift/su_max_lt
• _refine_ls_shift/su_mean
• _refine_ls_shift/su_mean_lt
• _refine_ls_structure_factor_coef
• _refine_ls_weighting_details
• _refine_ls_weighting_scheme
• _refine_ls_wR_factor_all
• _refine_ls_wR_factor_gt
• _refine_ls_wR_factor_obs
• _refine_ls_wR_factor_ref
• _refine_special_details
• _refine_ls_class_[]
• _refine_ls_class_code
• _refine_ls_class_d_res_high
• _refine_ls_class_d_res_low
• _refine_ls_class_R_factor_all
• _refine_ls_class_R_factor_gt
• _refine_ls_class_R_Fsqd_factor
• _refine_ls_class_R_I_factor
• _refine_ls_class_wR_factor_all
• _refln_[]
• _refln_A_calc
• _refln_A_meas
• _refln_B_calc
• _refln_B_meas
• _refln_class_code
• _refln_d_spacing
• _refln_crystal_id
• _refln_F_calc
• _refln_F_meas
• _refln_F_sigma
• _refln_F_squared_calc
• _refln_F_squared_meas
• _refln_F_squared_sigma
• _refln_include_status
• _refln_index_h
• _refln_index_k
• _refln_index_l
• _refln_intensity_calc
• _refln_intensity_meas
• _refln_intensity_sigma
• _refln_mean_path_length_tbar
• _refln_observed_status
• _refln_phase_calc
• _refln_phase_meas
• _refln_refinement_status
• _refln_scale_group_code
• _refln_sint/lambda
• _refln_symmetry_epsilon
• _refln_symmetry_multiplicity
• _refln_wavelength
• _refln_wavelength_id
• _reflns_[]
• _reflns_d_resolution_high
• _reflns_d_resolution_low
• _reflns_Friedel_coverage
• _reflns_limit_h_max
• _reflns_limit_h_min
• _reflns_limit_k_max
• _reflns_limit_k_min
• _reflns_limit_l_max
• _reflns_limit_l_min
• _reflns_number_gt
• _reflns_number_observed
• _reflns_number_total
• _reflns_observed_criterion
• _reflns_special_details
• _reflns_threshold_expression
• _reflns_class_[]
• _reflns_class_code
• _reflns_class_description
• _reflns_class_d_res_high
• _reflns_class_d_res_low
• _reflns_class_number_gt
• _reflns_class_number_total
• _reflns_class_R_factor_all
• _reflns_class_R_factor_gt
• _reflns_class_R_Fsqd_factor
• _reflns_class_R_I_factor
• _reflns_class_wR_factor_all
• _reflns_scale_[]
• _reflns_scale_group_code
• _reflns_scale_meas_F
• _reflns_scale_meas_F_squared
• _reflns_scale_meas_intensity
• _reflns_shell_[]
• _reflns_shell_d_res_high
• _reflns_shell_d_res_low
• _reflns_shell_meanI_over_sigI_all
• _reflns_shell_meanI_over_sigI_gt
• _reflns_shell_meanI_over_sigI_obs
• _reflns_shell_meanI_over_uI_all
• _reflns_shell_meanI_over_uI_gt
• _reflns_shell_number_measured_all
• _reflns_shell_number_measured_gt
• _reflns_shell_number_measured_obs
• _reflns_shell_number_possible
• _reflns_shell_number_unique_all
• _reflns_shell_number_unique_gt
• _reflns_shell_number_unique_obs
• _reflns_shell_percent_possible_all
• _reflns_shell_percent_possible_gt
• _reflns_shell_percent_possible_obs
• _reflns_shell_Rmerge_F_all
• _reflns_shell_Rmerge_F_gt
• _reflns_shell_Rmerge_F_obs
• _reflns_shell_Rmerge_I_all
• _reflns_shell_Rmerge_I_gt
• _reflns_shell_Rmerge_I_obs
• _space_group_[]
• _space_group_crystal_system
• _space_group_id
• _space_group_IT_number
• _space_group_name_Hall
• _space_group_name_H-M_alt
• _space_group_symop_[]
• _space_group_symop_id
• _space_group_symop_operation_xyz
• _space_group_symop_sg_id
• _symmetry_[]
• _symmetry_cell_setting
• _symmetry_Int_Tables_number
• _symmetry_space_group_name_Hall
• _symmetry_space_group_name_H-M
• _symmetry_equiv_[]
• _symmetry_equiv_pos_as_xyz
• _symmetry_equiv_pos_site_id
• _valence_param_[]
• _valence_param_atom_1
• _valence_param_atom_1_valence
• _valence_param_atom_2
• _valence_param_atom_2_valence
• _valence_param_B
• _valence_param_details
• _valence_param_id
• _valence_param_ref_id
• _valence_param_Ro
• _valence_ref_[]
• _valence_ref_id
• _valence_ref_reference