data_testAllTagNames
loop_
_publ_author_name
?
loop_
_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_section_title
_publ_section_title_footnote
_publ_section_related_literature
_publ_section_keywords
? ? ? ? ? ? ? ? ? ? ?
loop_
_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_paper_doi
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_journal_index_subterm
_journal_index_term
_journal_index_type
? ? ?
loop_
_chemical_absolute_configuration
_chemical_compound_source
_chemical_enantioexcess_bulk
_chemical_enantioexcess_bulk_technique
_chemical_enantioexcess_crystal
_chemical_enantioexcess_crystal_technique
_chemical_identifier_inchi
_chemical_identifier_inchi_key
_chemical_identifier_inchi_version
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ?
loop_
_chemical_conn_bond_atom_1
_chemical_conn_bond_atom_2
_chemical_conn_bond_type
? ? ?
loop_
_chemical_formula_analytical
_chemical_formula_iupac
_chemical_formula_moiety
_chemical_formula_structural
_chemical_formula_sum
_chemical_formula_weight
_chemical_formula_weight_meas
? ? ? ? ? ? ?
loop_
_space_group_crystal_system
_space_group_id
_space_group_IT_number
_space_group_name_H-M_alt
_space_group_name_Hall
? ? ? ? ?
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
_space_group_symop_sg_id
? ? ?
loop_
_symmetry_cell_setting
_symmetry_Int_Tables_number
_symmetry_space_group_name_H-M
_symmetry_space_group_name_Hall
? ? ? ?
loop_
_symmetry_equiv_pos_as_xyz
_symmetry_equiv_pos_site_id
? ?
loop_
_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_site_symmetry_multiplicity
_atom_site_site_symmetry_order
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_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_tran_vector_1
_atom_sites_Cartn_tran_vector_2
_atom_sites_Cartn_tran_vector_3
_atom_sites_Cartn_transform_axes
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_audit_author_address
_audit_author_name
? ?
loop_
_audit_block_code
_audit_creation_date
_audit_creation_method
_audit_update_record
? ? ? ?
loop_
_audit_conform_dict_location
_audit_conform_dict_name
_audit_conform_dict_version
? ? ?
loop_
_audit_contact_author_address
_audit_contact_author_email
_audit_contact_author_fax
_audit_contact_author_name
_audit_contact_author_phone
? ? ? ? ?
loop_
_audit_link_block_code
_audit_link_block_description
? ?
loop_
_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_volume
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_cell_measurement_refln_index_h
_cell_measurement_refln_index_k
_cell_measurement_refln_index_l
_cell_measurement_refln_theta
? ? ? ?
loop_
_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_Medline
_citation_id
_citation_journal_abbrev
_citation_journal_full
_citation_journal_id_ASTM
_citation_journal_id_CSD
_citation_journal_id_ISSN
_citation_journal_issue
_citation_journal_volume
_citation_language
_citation_page_first
_citation_page_last
_citation_title
_citation_year
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_citation_author_citation_id
_citation_author_name
_citation_author_ordinal
? ? ?
loop_
_citation_editor_citation_id
_citation_editor_name
_citation_editor_ordinal
? ? ?
loop_
_computing_cell_refinement
_computing_data_collection
_computing_data_reduction
_computing_molecular_graphics
_computing_publication_material
_computing_structure_refinement
_computing_structure_solution
? ? ? ? ? ? ?
loop_
_database_code_CAS
_database_code_COD
_database_code_MDF
_database_code_NBS
_database_code_PDB
_database_code_PDF
_database_CSD_history
_database_journal_ASTM
_database_journal_CSD
? ? ? ? ? ? ? ? ?
loop_
_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_symmetry_description
? ? ? ? ? ? ? ? ? ? ?
loop_
_diffrn_attenuator_code
_diffrn_attenuator_material
_diffrn_attenuator_scale
? ? ?
loop_
_diffrn_detector
_diffrn_detector_area_resol_mean
_diffrn_detector_details
_diffrn_detector_dtime
_diffrn_detector_type
_diffrn_radiation_detector
_diffrn_radiation_detector_dtime
? ? ? ? ? ? ?
loop_
_diffrn_measurement_details
_diffrn_measurement_device
_diffrn_measurement_device_details
_diffrn_measurement_device_type
_diffrn_measurement_method
_diffrn_measurement_specimen_support
? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ? ?
loop_
_diffrn_radiation_wavelength
_diffrn_radiation_wavelength_details
_diffrn_radiation_wavelength_determination
_diffrn_radiation_wavelength_id
_diffrn_radiation_wavelength_wt
? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_diffrn_reflns_av_R_equivalents
_diffrn_reflns_av_sigmaI/netI
_diffrn_reflns_av_unetI/netI
_diffrn_reflns_Laue_measured_fraction_full
_diffrn_reflns_Laue_measured_fraction_max
_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_point_group_measured_fraction_full
_diffrn_reflns_point_group_measured_fraction_max
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_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_d_res_high
_diffrn_reflns_class_d_res_low
_diffrn_reflns_class_description
_diffrn_reflns_class_number
? ? ? ? ? ? ? ?
loop_
_diffrn_scale_group_code
_diffrn_scale_group_I_net
? ?
loop_
_diffrn_standard_refln_code
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ? ?
loop_
_diffrn_standards_decay_%
_diffrn_standards_interval_count
_diffrn_standards_interval_time
_diffrn_standards_number
_diffrn_standards_scale_sigma
_diffrn_standards_scale_u
? ? ? ? ? ?
loop_
_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_transmission_factor_max
_exptl_transmission_factor_min
? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_multiplicity
_geom_bond_publ_flag
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_valence
? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ? ?
loop_
_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_F_calc_details
_refine_ls_F_calc_formula
_refine_ls_F_calc_precision
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ?
loop_
_refln_A_calc
_refln_A_meas
_refln_B_calc
_refln_B_meas
_refln_class_code
_refln_crystal_id
_refln_d_spacing
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_reflns_class_code
_reflns_class_d_res_high
_reflns_class_d_res_low
_reflns_class_description
_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
? ? ? ? ? ? ? ? ? ? ?
loop_
_reflns_d_resolution_high
_reflns_d_resolution_low
_reflns_Friedel_coverage
_reflns_Friedel_fraction_full
_reflns_Friedel_fraction_max
_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_threshold_expression
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_reflns_scale_group_code
_reflns_scale_meas_F
_reflns_scale_meas_F_squared
_reflns_scale_meas_intensity
? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?
loop_
_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
? ? ? ? ? ? ? ? ?
loop_
_valence_ref_id
_valence_ref_reference
? ?
