Summary information in: ./cifdic.c94.list.html

List of categories in ./cifdic.c94.

• atom_site
• atom_sites
• atom_type
• audit
• audit_author
• audit_contact_author
• cell
• cell_measurement
• cell_measurement_refln
• chemical
• chemical_conn_atom
• chemical_conn_bond
• chemical_formula
• citation
• citation_author
• citation_editor
• computing
• database
• dictionary_definition
• diffrn
• diffrn_attenuator
• diffrn_measurement
• diffrn_orient_matrix
• diffrn_orient_refln
• diffrn_radiation
• diffrn_refln
• diffrn_reflns
• diffrn_scale_group
• diffrn_standard_refln
• exptl
• exptl_crystal
• exptl_crystal_face
• geom
• geom_angle
• geom_bond
• geom_contact
• geom_torsion
• journal
• publ
• publ_author
• publ_manuscript_incl
• refine
• refln
• reflns
• reflns_scale
• symmetry
• symmetry_equiv

List of data items by category in ./cifdic.c94

• atom_site.

  					list	manda	refer
  
  data_atom_site_aniso_B_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_B_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_B_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_B_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_B_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_B_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_label		yes	yes	(null)
  data_atom_site_aniso_ratio		yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_type_symbol	yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_U_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_U_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_U_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_U_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_U_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_aniso_U_			yes	(null)	'_atom_site_aniso_label'
  data_atom_site_attached_hydrogens	yes	(null)	'_atom_site_label'
  data_atom_site_B_iso_or_equiv		yes	(null)	'_atom_site_label'
  data_atom_site_calc_attached_atom	yes	(null)	'_atom_site_label'
  data_atom_site_calc_flag		yes	(null)	'_atom_site_label'
  data_atom_site_Cartn_			yes	(null)	'_atom_site_label'
  data_atom_site_Cartn_			yes	(null)	'_atom_site_label'
  data_atom_site_Cartn_			yes	(null)	'_atom_site_label'
  data_atom_site_chemical_conn_number	yes	(null)	'_atom_site_label'
  data_atom_site_constraints		yes	(null)	'_atom_site_label'
  data_atom_site_description		yes	(null)	'_atom_site_label'
  data_atom_site_disorder_assembly	yes	(null)	'_atom_site_label'
  data_atom_site_disorder_group		yes	(null)	'_atom_site_label'
  data_atom_site_fract_			yes	(null)	'_atom_site_label'
  data_atom_site_fract_			yes	(null)	'_atom_site_label'
  data_atom_site_fract_			yes	(null)	'_atom_site_label'
  data_atom_site_label			yes	yes	(null)
  data_atom_site_label_component_		yes	(null)	'_atom_site_label'
  data_atom_site_label_component_		yes	(null)	'_atom_site_label'
  data_atom_site_label_component_		yes	(null)	'_atom_site_label'
  data_atom_site_label_component_		yes	(null)	'_atom_site_label'
  data_atom_site_label_component_		yes	(null)	'_atom_site_label'
  data_atom_site_label_component_		yes	(null)	'_atom_site_label'
  data_atom_site_label_component_		yes	(null)	'_atom_site_label'
  data_atom_site_occupancy		yes	(null)	'_atom_site_label'
  data_atom_site_refinement_flags		yes	(null)	'_atom_site_label'
  data_atom_site_restraints		yes	(null)	'_atom_site_label'
  data_atom_site_symmetry_multiplicity	yes	(null)	'_atom_site_label'
  data_atom_site_thermal_displace_type	yes	(null)	'_atom_site_label'
  data_atom_site_type_symbol		yes	(null)	'_atom_site_label'
  data_atom_site_U_iso_or_equiv		yes	(null)	'_atom_site_label'
  data_atom_site_Wyckoff_symbol		yes	(null)	'_atom_site_label'
  

• atom_sites.

  					list	manda	refer
  
  data_atom_sites_Cartn_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_Cartn_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_Cartn_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_Cartn_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_Cartn_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_Cartn_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_Cartn_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_Cartn_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_Cartn_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_Cartn_transform_axes	(null)	(null)	(null)
  data_atom_sites_fract_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_fract_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_fract_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_fract_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_fract_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_fract_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_fract_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_fract_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_fract_tran_matrix_	(null)	(null)	(null)
  data_atom_sites_solution_		(null)	(null)	(null)
  data_atom_sites_solution_		(null)	(null)	(null)
  data_atom_sites_solution_		(null)	(null)	(null)
  

• atom_type.

  					list	manda	refer
  
  data_atom_type_analytical_mass_%	yes	(null)	'_atom_type_symbol'
  data_atom_type_description		yes	(null)	'_atom_type_symbol'
  data_atom_type_number_in_cell		yes	(null)	'_atom_type_symbol'
  data_atom_type_oxidation_number		yes	(null)	'_atom_type_symbol'
  data_atom_type_radius_			yes	(null)	'_atom_type_symbol'
  data_atom_type_radius_			yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_Cromer_Mann_	yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_Cromer_Mann_	yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_Cromer_Mann_	yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_Cromer_Mann_	yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_Cromer_Mann_	yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_Cromer_Mann_	yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_Cromer_Mann_	yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_Cromer_Mann_	yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_Cromer_Mann_	yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_dispersion_		yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_dispersion_		yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_source		yes	(null)	'_atom_type_symbol'
  data_atom_type_scat_versus_stol_list	yes	(null)	'_atom_type_symbol'
  data_atom_type_symbol			yes	yes	(null)
  

• audit.

  					list	manda	refer
  
  data_audit_creation_date		(null)	(null)	(null)
  data_audit_creation_method		(null)	(null)	(null)
  data_audit_update_record		(null)	(null)	(null)
  

• audit_author.

  					list	manda	refer
  
  data_audit_author_address		yes	(null)	'_audit_author_name'
  data_audit_author_name			yes	yes	(null)
  

• audit_contact_author.

  					list	manda	refer
  
  data_audit_contact_author_address	(null)	(null)	(null)
  data_audit_contact_author_email		(null)	(null)	(null)
  data_audit_contact_author_fax		(null)	(null)	(null)
  data_audit_contact_author_name		(null)	(null)	(null)
  data_audit_contact_author_phone		(null)	(null)	(null)
  

• cell.

  					list	manda	refer
  
  data_cell_angle_			(null)	(null)	(null)
  data_cell_angle_			(null)	(null)	(null)
  data_cell_angle_			(null)	(null)	(null)
  data_cell_formula_units_Z		(null)	(null)	(null)
  data_cell_length_			(null)	(null)	(null)
  data_cell_length_			(null)	(null)	(null)
  data_cell_length_			(null)	(null)	(null)
  data_cell_special_details		(null)	(null)	(null)
  data_cell_volume			(null)	(null)	(null)
  

• cell_measurement.

  					list	manda	refer
  
  data_cell_measurement_pressure		(null)	(null)	(null)
  data_cell_measurement_radiation		(null)	(null)	(null)
  data_cell_measurement_reflns_used	(null)	(null)	(null)
  data_cell_measurement_temperature	(null)	(null)	(null)
  data_cell_measurement_theta_		(null)	(null)	(null)
  data_cell_measurement_theta_		(null)	(null)	(null)
  data_cell_measurement_wavelength	(null)	(null)	(null)
  

• cell_measurement_refln.

  					list	manda	refer
  
  data_cell_measurement_refln_index_	yes	yes	(null)
  data_cell_measurement_refln_index_	yes	yes	(null)
  data_cell_measurement_refln_index_	yes	yes	(null)
  data_cell_measurement_refln_theta	yes	(null)	'_cell_measurement_refln_index_'
  

• chemical.

  					list	manda	refer
  
  data_chemical_compound_source		(null)	(null)	(null)
  data_chemical_melting_point		(null)	(null)	(null)
  data_chemical_name_common		(null)	(null)	(null)
  data_chemical_name_mineral		(null)	(null)	(null)
  data_chemical_name_structure_type	(null)	(null)	(null)
  data_chemical_name_systematic		(null)	(null)	(null)
  

• chemical_conn_atom.

  					list	manda	refer
  
  data_chemical_conn_atom_charge		yes	(null)	'_chemical_conn_atom_type_symbol'
  data_chemical_conn_atom_display_	yes	(null)	'_chemical_conn_atom_type_symbol'
  data_chemical_conn_atom_display_	yes	(null)	'_chemical_conn_atom_type_symbol'
  data_chemical_conn_atom_NCA		yes	(null)	'_chemical_conn_atom_type_symbol'
  data_chemical_conn_atom_NH		yes	(null)	'_chemical_conn_atom_type_symbol'
  data_chemical_conn_atom_number		yes	(null)	'_chemical_conn_atom_type_symbol'
  data_chemical_conn_atom_type_symbol	yes	yes	(null)
  

• chemical_conn_bond.

  					list	manda	refer
  
  data_chemical_conn_bond_atom_		yes	(null)	(null)
  data_chemical_conn_bond_atom_		yes	(null)	(null)
  data_chemical_conn_bond_type		yes	(null)	'_chemical_conn_bond_atom_'
  

• chemical_formula.

  					list	manda	refer
  
  data_chemical_formula_analytical	(null)	(null)	(null)
  data_chemical_formula_moiety		(null)	(null)	(null)
  data_chemical_formula_structural	(null)	(null)	(null)
  data_chemical_formula_sum		(null)	(null)	(null)
  data_chemical_formula_weight		(null)	(null)	(null)
  data_chemical_formula_weight_meas	(null)	(null)	(null)
  

• citation.

  					list	manda	refer
  
  data_citation_abstract			yes	(null)	'_citation_id'
  data_citation_book_coden_ISBN		yes	(null)	'_citation_id'
  data_citation_book_publisher		yes	(null)	'_citation_id'
  data_citation_book_title		yes	(null)	'_citation_id'
  data_citation_coordinate_linkage	yes	(null)	'_citation_id'
  data_citation_country			yes	(null)	'_citation_id'
  data_citation_id			yes	yes	(null)
  data_citation_journal_abbrev		yes	(null)	'_citation_id'
  data_citation_journal_coden_ASTM	yes	(null)	'_citation_id'
  data_citation_journal_coden_ISSN	yes	(null)	'_citation_id'
  data_citation_journal_coden_PDB		yes	(null)	'_citation_id'
  data_citation_journal_full		yes	(null)	'_citation_id'
  data_citation_journal_issue		yes	(null)	'_citation_id'
  data_citation_journal_volume		yes	(null)	'_citation_id'
  data_citation_language			yes	(null)	'_citation_id'
  data_citation_Medline_AN		yes	(null)	'_citation_id'
  data_citation_page_			yes	(null)	'_citation_id'
  data_citation_page_			yes	(null)	'_citation_id'
  data_citation_special_details		yes	(null)	'_citation_id'
  data_citation_title			yes	(null)	'_citation_id'
  data_citation_year			yes	(null)	'_citation_id'
  

• citation_author.

  					list	manda	refer
  
  data_citation_author_citation_id	yes	yes	(null)
  data_citation_author_name		yes	yes	(null)
  

• citation_editor.

  					list	manda	refer
  
  data_citation_editor_citation_id	yes	yes	(null)
  data_citation_editor_name		yes	yes	(null)
  

• computing.

  					list	manda	refer
  
  data_computing_				(null)	(null)	(null)
  data_computing_				(null)	(null)	(null)
  data_computing_				(null)	(null)	(null)
  data_computing_				(null)	(null)	(null)
  data_computing_				(null)	(null)	(null)
  data_computing_				(null)	(null)	(null)
  data_computing_				(null)	(null)	(null)
  data_computing_				(null)	(null)	(null)
  data_computing_				(null)	(null)	(null)
  data_computing_				(null)	(null)	(null)
  data_computing_				(null)	(null)	(null)
  

• database.

  					list	manda	refer
  
  data_database_code_			(null)	(null)	(null)
  data_database_code_			(null)	(null)	(null)
  data_database_code_			(null)	(null)	(null)
  data_database_code_			(null)	(null)	(null)
  data_database_code_			(null)	(null)	(null)
  data_database_code_			(null)	(null)	(null)
  data_database_code_			(null)	(null)	(null)
  data_database_code_			(null)	(null)	(null)
  data_database_journal_			(null)	(null)	(null)
  data_database_journal_			(null)	(null)	(null)
  

• dictionary_definition.

  					list	manda	refer
  
  data_atom_site_[]			(null)	(null)	(null)
  data_atom_sites_[]			(null)	(null)	(null)
  data_atom_type_[]			(null)	(null)	(null)
  data_audit_[]				(null)	(null)	(null)
  data_audit_author_[]			(null)	(null)	(null)
  data_audit_contact_author_[]		(null)	(null)	(null)
  data_cell_[]				(null)	(null)	(null)
  data_cell_measurement_[]		(null)	(null)	(null)
  data_cell_measurement_refln_[]		(null)	(null)	(null)
  data_chemical_[]			(null)	(null)	(null)
  data_chemical_conn_atom_[]		(null)	(null)	(null)
  data_chemical_conn_bond_[]		(null)	(null)	(null)
  data_chemical_formula_[]		(null)	(null)	(null)
  data_citation_[]			(null)	(null)	(null)
  data_citation_author_[]			(null)	(null)	(null)
  data_citation_editor_[]			(null)	(null)	(null)
  data_computing_[]			(null)	(null)	(null)
  data_database_[]			(null)	(null)	(null)
  data_diffrn_[]				(null)	(null)	(null)
  data_diffrn_attenuator_[]		(null)	(null)	(null)
  data_diffrn_measurement_[]		(null)	(null)	(null)
  data_diffrn_orient_matrix_[]		(null)	(null)	(null)
  data_diffrn_orient_refln_[]		(null)	(null)	(null)
  data_diffrn_radiation_[]		(null)	(null)	(null)
  data_diffrn_refln_[]			(null)	(null)	(null)
  data_diffrn_reflns_[]			(null)	(null)	(null)
  data_diffrn_scale_group_[]		(null)	(null)	(null)
  data_diffrn_standard_refln_[]		(null)	(null)	(null)
  data_diffrn_standards_[]		(null)	(null)	(null)
  data_exptl_[]				(null)	(null)	(null)
  data_exptl_crystal_[]			(null)	(null)	(null)
  data_exptl_crystal_face_[]		(null)	(null)	(null)
  data_geom_[]				(null)	(null)	(null)
  data_geom_angle_[]			(null)	(null)	(null)
  data_geom_bond_[]			(null)	(null)	(null)
  data_geom_contact_[]			(null)	(null)	(null)
  data_geom_torsion_[]			(null)	(null)	(null)
  data_journal_[]				(null)	(null)	(null)
  data_publ_[]				(null)	(null)	(null)
  data_publ_author_[]			(null)	(null)	(null)
  data_publ_manuscript_incl_[]		(null)	(null)	(null)
  data_refine_[]				(null)	(null)	(null)
  data_refln_[]				(null)	(null)	(null)
  data_reflns_[]				(null)	(null)	(null)
  data_reflns_scale_[]			(null)	(null)	(null)
  data_symmetry_[]			(null)	(null)	(null)
  data_symmetry_equiv_[]			(null)	(null)	(null)
  

• diffrn.

  					list	manda	refer
  
  data_diffrn_ambient_environment		(null)	(null)	(null)
  data_diffrn_ambient_pressure		(null)	(null)	(null)
  data_diffrn_ambient_temperature		(null)	(null)	(null)
  data_diffrn_crystal_support		(null)	(null)	(null)
  data_diffrn_crystal_treatment		(null)	(null)	(null)
  data_diffrn_special_details		(null)	(null)	(null)
  data_diffrn_standards_decay_%		(null)	(null)	(null)
  data_diffrn_standards_interval_		(null)	(null)	(null)
  data_diffrn_standards_interval_		(null)	(null)	(null)
  data_diffrn_standards_number		(null)	(null)	(null)
  data_diffrn_standards_scale_sigma	(null)	(null)	(null)
  

• diffrn_attenuator.

  					list	manda	refer
  
  data_diffrn_attenuator_code		yes	yes	(null)
  data_diffrn_attenuator_scale		yes	(null)	'_diffrn_attenuator_code'
  

• diffrn_measurement.

  					list	manda	refer
  
  data_diffrn_measurement_details		(null)	(null)	(null)
  data_diffrn_measurement_device		(null)	(null)	(null)
  data_diffrn_measurement_method		(null)	(null)	(null)
  

• diffrn_orient_matrix.

  					list	manda	refer
  
  data_diffrn_orient_matrix_type		(null)	(null)	(null)
  data_diffrn_orient_matrix_UB_		(null)	(null)	(null)
  data_diffrn_orient_matrix_UB_		(null)	(null)	(null)
  data_diffrn_orient_matrix_UB_		(null)	(null)	(null)
  data_diffrn_orient_matrix_UB_		(null)	(null)	(null)
  data_diffrn_orient_matrix_UB_		(null)	(null)	(null)
  data_diffrn_orient_matrix_UB_		(null)	(null)	(null)
  data_diffrn_orient_matrix_UB_		(null)	(null)	(null)
  data_diffrn_orient_matrix_UB_		(null)	(null)	(null)
  data_diffrn_orient_matrix_UB_		(null)	(null)	(null)
  

• diffrn_orient_refln.

  					list	manda	refer
  
  data_diffrn_orient_refln_angle_		yes	(null)	'_diffrn_orient_refln_index_'
  data_diffrn_orient_refln_angle_		yes	(null)	'_diffrn_orient_refln_index_'
  data_diffrn_orient_refln_angle_		yes	(null)	'_diffrn_orient_refln_index_'
  data_diffrn_orient_refln_angle_		yes	(null)	'_diffrn_orient_refln_index_'
  data_diffrn_orient_refln_index_		yes	yes	(null)
  data_diffrn_orient_refln_index_		yes	yes	(null)
  data_diffrn_orient_refln_index_		yes	yes	(null)
  

• diffrn_radiation.

  					list	manda	refer
  
  data_diffrn_radiation_collimation	(null)	(null)	(null)
  data_diffrn_radiation_detector		both	(null)	'_diffrn_radiation_wavelength_id'
  data_diffrn_radiation_detector_dtime	both	(null)	'_diffrn_radiation_wavelength_id'
  data_diffrn_radiation_filter_edge	both	(null)	'_diffrn_radiation_wavelength_id'
  data_diffrn_radiation_inhomogeneity	both	(null)	'_diffrn_radiation_wavelength_id'
  data_diffrn_radiation_monochromator	both	(null)	'_diffrn_radiation_wavelength_id'
  data_diffrn_radiation_polarisn_norm	both	(null)	'_diffrn_radiation_wavelength_id'
  data_diffrn_radiation_polarisn_ratio	both	(null)	'_diffrn_radiation_wavelength_id'
  data_diffrn_radiation_source		both	(null)	'_diffrn_radiation_wavelength_id'
  data_diffrn_radiation_type		both	(null)	'_diffrn_radiation_wavelength_id'
  data_diffrn_radiation_wavelength	both	(null)	'_diffrn_radiation_wavelength_id'
  data_diffrn_radiation_wavelength_id	yes	yes	(null)
  data_diffrn_radiation_wavelength_wt	yes	(null)	'_diffrn_radiation_wavelength_id'
  

• diffrn_refln.

  					list	manda	refer
  
  data_diffrn_refln_angle_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_angle_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_angle_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_angle_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_angle_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_angle_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_attenuator_code	yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_counts_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_counts_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_counts_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_counts_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_counts_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_crystal_id		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_detect_slit_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_detect_slit_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_elapsed_time		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_index_		yes	yes	(null)
  data_diffrn_refln_index_		yes	yes	(null)
  data_diffrn_refln_index_		yes	yes	(null)
  data_diffrn_refln_intensity_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_intensity_		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_scale_group_code	yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_scan_mode		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_scan_mode_backgd	yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_scan_width		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_sint/lambda		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_standard_code		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_wavelength		yes	(null)	'_diffrn_refln_index_'
  data_diffrn_refln_wavelength_id		yes	(null)	'_diffrn_refln_index_'
  

• diffrn_reflns.

  					list	manda	refer
  
  data_diffrn_reflns_av_R_equivalents	(null)	(null)	(null)
  data_diffrn_reflns_av_sigmaI/netI	(null)	(null)	(null)
  data_diffrn_reflns_limit_		(null)	(null)	(null)
  data_diffrn_reflns_limit_		(null)	(null)	(null)
  data_diffrn_reflns_limit_		(null)	(null)	(null)
  data_diffrn_reflns_limit_		(null)	(null)	(null)
  data_diffrn_reflns_limit_		(null)	(null)	(null)
  data_diffrn_reflns_limit_		(null)	(null)	(null)
  data_diffrn_reflns_number		(null)	(null)	(null)
  data_diffrn_reflns_reduction_process	(null)	(null)	(null)
  data_diffrn_reflns_theta_		(null)	(null)	(null)
  data_diffrn_reflns_theta_		(null)	(null)	(null)
  data_diffrn_reflns_transf_matrix_	(null)	(null)	(null)
  data_diffrn_reflns_transf_matrix_	(null)	(null)	(null)
  data_diffrn_reflns_transf_matrix_	(null)	(null)	(null)
  data_diffrn_reflns_transf_matrix_	(null)	(null)	(null)
  data_diffrn_reflns_transf_matrix_	(null)	(null)	(null)
  data_diffrn_reflns_transf_matrix_	(null)	(null)	(null)
  data_diffrn_reflns_transf_matrix_	(null)	(null)	(null)
  data_diffrn_reflns_transf_matrix_	(null)	(null)	(null)
  data_diffrn_reflns_transf_matrix_	(null)	(null)	(null)
  

• diffrn_scale_group.

  					list	manda	refer
  
  data_diffrn_scale_group_code		yes	yes	(null)
  data_diffrn_scale_group_I_net		yes	(null)	'_diffrn_scale_group_code'
  

• diffrn_standard_refln.

  					list	manda	refer
  
  data_diffrn_standard_refln_code		yes	(null)	'_diffrn_standard_refln_index_'
  data_diffrn_standard_refln_index_	yes	yes	(null)
  data_diffrn_standard_refln_index_	yes	yes	(null)
  data_diffrn_standard_refln_index_	yes	yes	(null)
  

• exptl.

  					list	manda	refer
  
  data_exptl_absorpt_coefficient_mu	(null)	(null)	(null)
  data_exptl_absorpt_correction_T_	(null)	(null)	(null)
  data_exptl_absorpt_correction_T_	(null)	(null)	(null)
  data_exptl_absorpt_correction_type	(null)	(null)	(null)
  data_exptl_absorpt_process_details	(null)	(null)	(null)
  data_exptl_crystals_number		(null)	(null)	(null)
  data_exptl_special_details		(null)	(null)	(null)
  

• exptl_crystal.

  					list	manda	refer
  
  data_exptl_crystal_colour		both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_density_diffrn	both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_density_meas		both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_density_meas_temp	both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_density_method	both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_description		both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_F_000		both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_id			yes	yes	(null)
  data_exptl_crystal_preparation		both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_size_		both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_size_		both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_size_		both	(null)	'_exptl_crystal_id'
  data_exptl_crystal_size_		both	(null)	'_exptl_crystal_id'
  

• exptl_crystal_face.

  					list	manda	refer
  
  data_exptl_crystal_face_diffr_		yes	(null)	'_exptl_crystal_face_index_'
  data_exptl_crystal_face_diffr_		yes	(null)	'_exptl_crystal_face_index_'
  data_exptl_crystal_face_diffr_		yes	(null)	'_exptl_crystal_face_index_'
  data_exptl_crystal_face_diffr_		yes	(null)	'_exptl_crystal_face_index_'
  data_exptl_crystal_face_index_		yes	yes	(null)
  data_exptl_crystal_face_index_		yes	yes	(null)
  data_exptl_crystal_face_index_		yes	yes	(null)
  data_exptl_crystal_face_perp_dist	yes	(null)	'_exptl_crystal_face_index_'
  

• geom.

  					list	manda	refer
  
  data_geom_special_details		(null)	(null)	(null)
  

• geom_angle.

  					list	manda	refer
  
  data_geom_angle				yes	(null)	'_geom_angle_atom_site_label_'
  data_geom_angle_atom_site_label_	yes	yes	(null)
  data_geom_angle_atom_site_label_	yes	yes	(null)
  data_geom_angle_atom_site_label_	yes	yes	(null)
  data_geom_angle_publ_flag		yes	(null)	'_geom_angle_atom_site_label_'
  data_geom_angle_site_symmetry_		yes	(null)	'_geom_angle_atom_site_label_'
  data_geom_angle_site_symmetry_		yes	(null)	'_geom_angle_atom_site_label_'
  data_geom_angle_site_symmetry_		yes	(null)	'_geom_angle_atom_site_label_'
  

• geom_bond.

  					list	manda	refer
  
  data_geom_bond_atom_site_label_		yes	yes	(null)
  data_geom_bond_atom_site_label_		yes	yes	(null)
  data_geom_bond_distance			yes	(null)	'_geom_bond_atom_site_label_'
  data_geom_bond_publ_flag		yes	(null)	'_geom_bond_atom_site_label_'
  data_geom_bond_site_symmetry_		yes	(null)	'_geom_bond_atom_site_label_'
  data_geom_bond_site_symmetry_		yes	(null)	'_geom_bond_atom_site_label_'
  

• geom_contact.

  					list	manda	refer
  
  data_geom_contact_atom_site_label_	yes	yes	(null)
  data_geom_contact_atom_site_label_	yes	yes	(null)
  data_geom_contact_distance		yes	(null)	'_geom_contact_atom_site_label_'
  data_geom_contact_publ_flag		yes	(null)	'_geom_contact_atom_site_label_'
  data_geom_contact_site_symmetry_	yes	(null)	'_geom_contact_atom_site_label_'
  data_geom_contact_site_symmetry_	yes	(null)	'_geom_contact_atom_site_label_'
  

• geom_torsion.

  					list	manda	refer
  
  data_geom_torsion			yes	(null)	'_geom_torsion_atom_site_label_'
  data_geom_torsion_atom_site_label_	yes	yes	(null)
  data_geom_torsion_atom_site_label_	yes	yes	(null)
  data_geom_torsion_atom_site_label_	yes	yes	(null)
  data_geom_torsion_atom_site_label_	yes	yes	(null)
  data_geom_torsion_publ_flag		yes	(null)	'_geom_torsion_atom_site_label_'
  data_geom_torsion_site_symmetry_	yes	(null)	'_geom_torsion_atom_site_label_'
  data_geom_torsion_site_symmetry_	yes	(null)	'_geom_torsion_atom_site_label_'
  data_geom_torsion_site_symmetry_	yes	(null)	'_geom_torsion_atom_site_label_'
  data_geom_torsion_site_symmetry_	yes	(null)	'_geom_torsion_atom_site_label_'
  

• journal.

  					list	manda	refer
  
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  data_journal_				(null)	(null)	(null)
  

• publ.

  					list	manda	refer
  
  data_publ_contact_author		(null)	(null)	(null)
  data_publ_contact_author_email		(null)	(null)	(null)
  data_publ_contact_author_fax		(null)	(null)	(null)
  data_publ_contact_author_phone		(null)	(null)	(null)
  data_publ_contact_letter		(null)	(null)	(null)
  data_publ_manuscript_creation		(null)	(null)	(null)
  data_publ_manuscript_processed		(null)	(null)	(null)
  data_publ_manuscript_text		(null)	(null)	(null)
  data_publ_requested_coeditor_name	(null)	(null)	(null)
  data_publ_requested_journal		(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  data_publ_section_			(null)	(null)	(null)
  

• publ_author.

  					list	manda	refer
  
  data_publ_author_address		both	(null)	(null)
  data_publ_author_name			both	(null)	(null)
  

• publ_manuscript_incl.

  					list	manda	refer
  
  data_publ_manuscript_incl_extra_	yes	(null)	(null)
  data_publ_manuscript_incl_extra_	yes	(null)	(null)
  data_publ_manuscript_incl_extra_	yes	(null)	(null)
  

• refine.

  					list	manda	refer
  
  data_refine_diff_density_		(null)	(null)	(null)
  data_refine_diff_density_		(null)	(null)	(null)
  data_refine_diff_density_		(null)	(null)	(null)
  data_refine_ls_abs_structure_details	(null)	(null)	(null)
  data_refine_ls_abs_structure_Flack	(null)	(null)	(null)
  data_refine_ls_abs_structure_Rogers	(null)	(null)	(null)
  data_refine_ls_extinction_coef		(null)	(null)	(null)
  data_refine_ls_extinction_expression	(null)	(null)	(null)
  data_refine_ls_extinction_method	(null)	(null)	(null)
  data_refine_ls_goodness_of_fit_		(null)	(null)	(null)
  data_refine_ls_goodness_of_fit_		(null)	(null)	(null)
  data_refine_ls_hydrogen_treatment	(null)	(null)	(null)
  data_refine_ls_matrix_type		(null)	(null)	(null)
  data_refine_ls_number_constraints	(null)	(null)	(null)
  data_refine_ls_number_parameters	(null)	(null)	(null)
  data_refine_ls_number_reflns		(null)	(null)	(null)
  data_refine_ls_number_restraints	(null)	(null)	(null)
  data_refine_ls_R_factor_		(null)	(null)	(null)
  data_refine_ls_R_factor_		(null)	(null)	(null)
  data_refine_ls_restrained_S_		(null)	(null)	(null)
  data_refine_ls_restrained_S_		(null)	(null)	(null)
  data_refine_ls_shift/esd_		(null)	(null)	(null)
  data_refine_ls_shift/esd_		(null)	(null)	(null)
  data_refine_ls_structure_factor_coef	(null)	(null)	(null)
  data_refine_ls_weighting_details	(null)	(null)	(null)
  data_refine_ls_weighting_scheme		(null)	(null)	(null)
  data_refine_ls_wR_factor_		(null)	(null)	(null)
  data_refine_ls_wR_factor_		(null)	(null)	(null)
  data_refine_special_details		(null)	(null)	(null)
  

• refln.

  					list	manda	refer
  
  data_refln_A_				yes	(null)	'_refln_index_'
  data_refln_A_				yes	(null)	'_refln_index_'
  data_refln_B_				yes	(null)	'_refln_index_'
  data_refln_B_				yes	(null)	'_refln_index_'
  data_refln_crystal_id			yes	(null)	'_refln_index_'
  data_refln_F_				yes	(null)	'_refln_index_'
  data_refln_F_				yes	(null)	'_refln_index_'
  data_refln_F_				yes	(null)	'_refln_index_'
  data_refln_F_squared_			yes	(null)	'_refln_index_'
  data_refln_F_squared_			yes	(null)	'_refln_index_'
  data_refln_F_squared_			yes	(null)	'_refln_index_'
  data_refln_index_			yes	yes	(null)
  data_refln_index_			yes	yes	(null)
  data_refln_index_			yes	yes	(null)
  data_refln_intensity_			yes	(null)	'_refln_index_'
  data_refln_intensity_			yes	(null)	'_refln_index_'
  data_refln_intensity_			yes	(null)	'_refln_index_'
  data_refln_mean_path_length_tbar	yes	(null)	'_refln_index_'
  data_refln_observed_status		yes	(null)	'_refln_index_'
  data_refln_phase_			yes	(null)	'_refln_index_'
  data_refln_phase_			yes	(null)	'_refln_index_'
  data_refln_refinement_status		yes	(null)	'_refln_index_'
  data_refln_scale_group_code		yes	(null)	'_refln_index_'
  data_refln_sint/lambda			yes	(null)	'_refln_index_'
  data_refln_symmetry_epsilon		yes	(null)	'_refln_index_'
  data_refln_symmetry_multiplicity	yes	(null)	'_refln_index_'
  data_refln_wavelength			yes	(null)	'_refln_index_'
  data_refln_wavelength_id		yes	(null)	'_refln_index_'
  

• reflns.

  					list	manda	refer
  
  data_reflns_d_resolution_		(null)	(null)	(null)
  data_reflns_d_resolution_		(null)	(null)	(null)
  data_reflns_limit_			(null)	(null)	(null)
  data_reflns_limit_			(null)	(null)	(null)
  data_reflns_limit_			(null)	(null)	(null)
  data_reflns_limit_			(null)	(null)	(null)
  data_reflns_limit_			(null)	(null)	(null)
  data_reflns_limit_			(null)	(null)	(null)
  data_reflns_number_			(null)	(null)	(null)
  data_reflns_number_			(null)	(null)	(null)
  data_reflns_observed_criterion		(null)	(null)	(null)
  data_reflns_special_details		(null)	(null)	(null)
  

• reflns_scale.

  					list	manda	refer
  
  data_reflns_scale_group_code		yes	yes	(null)
  data_reflns_scale_meas_			yes	(null)	'_reflns_scale_group_code'
  data_reflns_scale_meas_			yes	(null)	'_reflns_scale_group_code'
  data_reflns_scale_meas_			yes	(null)	'_reflns_scale_group_code'
  

• symmetry.

  					list	manda	refer
  
  data_symmetry_cell_setting		(null)	(null)	(null)
  data_symmetry_Int_Tables_number		(null)	(null)	(null)
  data_symmetry_space_group_name_H-M	(null)	(null)	(null)
  data_symmetry_space_group_name_Hall	(null)	(null)	(null)
  

• symmetry_equiv.

  					list	manda	refer
  
  data_symmetry_equiv_pos_as_xyz		yes	(null)	(null)