Core dictionary version 3.0.14 definitions
Definitions are arranged alphabetically by category and within category.- Revision history
- CIF_CORE
- ATOM
- ATOM_SITE
- atom_site.adp_type
- atom_site.attached_hydrogens
- atom_site.B_equiv_geom_mean
- atom_site.B_equiv_geom_mean_su
- atom_site.B_iso_or_equiv
- atom_site.B_iso_or_equiv_su
- atom_site.calc_attached_atom
- atom_site.calc_flag
- atom_site.Cartn_x
- atom_site.Cartn_x_su
- atom_site.Cartn_xyz
- atom_site.Cartn_y
- atom_site.Cartn_y_su
- atom_site.Cartn_z
- atom_site.Cartn_z_su
- 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_x_su
- atom_site.fract_xyz
- atom_site.fract_y
- atom_site.fract_y_su
- atom_site.fract_z
- atom_site.fract_z_su
- 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.occupancy_su
- 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.tensor_beta
- atom_site.type_symbol
- atom_site.U_equiv_geom_mean
- atom_site.U_equiv_geom_mean_su
- atom_site.U_iso_or_equiv
- atom_site.U_iso_or_equiv_su
- atom_site.Wyckoff_symbol
- ATOM_SITE_ANISO
- atom_site_aniso.B_11
- atom_site_aniso.B_11_su
- atom_site_aniso.B_12
- atom_site_aniso.B_12_su
- atom_site_aniso.B_13
- atom_site_aniso.B_13_su
- atom_site_aniso.B_22
- atom_site_aniso.B_22_su
- atom_site_aniso.B_23
- atom_site_aniso.B_23_su
- atom_site_aniso.B_33
- atom_site_aniso.B_33_su
- atom_site_aniso.label
- atom_site_aniso.matrix_B
- atom_site_aniso.matrix_U
- atom_site_aniso.ratio
- atom_site_aniso.type_symbol
- atom_site_aniso.U_11
- atom_site_aniso.U_11_su
- atom_site_aniso.U_12
- atom_site_aniso.U_12_su
- atom_site_aniso.U_13
- atom_site_aniso.U_13_su
- atom_site_aniso.U_22
- atom_site_aniso.U_22_su
- atom_site_aniso.U_23
- atom_site_aniso.U_23_su
- atom_site_aniso.U_33
- atom_site_aniso.U_33_su
- ATOM_SITES
- atom_sites.solution_hydrogens
- atom_sites.solution_primary
- atom_sites.solution_secondary
- atom_sites.special_details
- ATOM_SITES_CARTN_TRANSFORM
- atom_sites_Cartn_transform.axes
- atom_sites_Cartn_transform.mat_11
- atom_sites_Cartn_transform.mat_12
- atom_sites_Cartn_transform.mat_13
- atom_sites_Cartn_transform.mat_21
- atom_sites_Cartn_transform.mat_22
- atom_sites_Cartn_transform.mat_23
- atom_sites_Cartn_transform.mat_31
- atom_sites_Cartn_transform.mat_32
- atom_sites_Cartn_transform.mat_33
- atom_sites_Cartn_transform.matrix
- atom_sites_Cartn_transform.vec_1
- atom_sites_Cartn_transform.vec_2
- atom_sites_Cartn_transform.vec_3
- atom_sites_Cartn_transform.vector
- ATOM_SITES_FRACT_TRANSFORM
- atom_sites_fract_transform.axes
- atom_sites_fract_transform.mat_11
- atom_sites_fract_transform.mat_12
- atom_sites_fract_transform.mat_13
- atom_sites_fract_transform.mat_21
- atom_sites_fract_transform.mat_22
- atom_sites_fract_transform.mat_23
- atom_sites_fract_transform.mat_31
- atom_sites_fract_transform.mat_32
- atom_sites_fract_transform.mat_33
- atom_sites_fract_transform.matrix
- atom_sites_fract_transform.vec_1
- atom_sites_fract_transform.vec_2
- atom_sites_fract_transform.vec_3
- atom_sites_fract_transform.vector
- ATOM_TYPE
- atom_type.analytical_mass_percent
- atom_type.atomic_mass
- atom_type.atomic_number
- atom_type.description
- atom_type.display_colour
- atom_type.electron_count
- atom_type.element_symbol
- atom_type.key
- atom_type.number_in_cell
- atom_type.oxidation_number
- atom_type.radius_bond
- atom_type.radius_contact
- atom_type.symbol
- ATOM_TYPE_SCAT
- 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.Cromer_Mann_coeffs
- atom_type_scat.dispersion
- atom_type_scat.dispersion_imag
- atom_type_scat.dispersion_imag_cu
- atom_type_scat.dispersion_imag_mo
- atom_type_scat.dispersion_real
- atom_type_scat.dispersion_real_cu
- atom_type_scat.dispersion_real_mo
- atom_type_scat.dispersion_source
- atom_type_scat.hi_ang_Fox_c0
- atom_type_scat.hi_ang_Fox_c1
- atom_type_scat.hi_ang_Fox_c2
- atom_type_scat.hi_ang_Fox_c3
- atom_type_scat.hi_ang_Fox_coeffs
- atom_type_scat.length_neutron
- atom_type_scat.source
- atom_type_scat.symbol
- atom_type_scat.versus_stol_list
- AUDIT
- audit.block_code
- audit.block_doi
- audit.creation_date
- audit.creation_method
- audit.schema
- audit.update_record
- AUDIT_AUTHOR
- AUDIT_CONFORM
- AUDIT_CONTACT_AUTHOR
- audit_contact_author.address
- audit_contact_author.email
- audit_contact_author.fax
- audit_contact_author.id
- audit_contact_author.name
- audit_contact_author.phone
- AUDIT_LINK
- CELL
- cell.angle_alpha
- cell.angle_alpha_su
- cell.angle_beta
- cell.angle_beta_su
- cell.angle_gamma
- cell.angle_gamma_su
- cell.atomic_mass
- cell.convert_Uij_to_betaij
- cell.convert_Uiso_to_Uij
- cell.formula_units_Z
- cell.length_a
- cell.length_a_su
- cell.length_b
- cell.length_b_su
- cell.length_c
- cell.length_c_su
- cell.metric_tensor
- cell.orthogonal_matrix
- cell.reciprocal_angle_alpha
- cell.reciprocal_angle_alpha_su
- cell.reciprocal_angle_beta
- cell.reciprocal_angle_beta_su
- cell.reciprocal_angle_gamma
- cell.reciprocal_angle_gamma_su
- cell.reciprocal_length_a
- cell.reciprocal_length_a_su
- cell.reciprocal_length_b
- cell.reciprocal_length_b_su
- cell.reciprocal_length_c
- cell.reciprocal_length_c_su
- cell.reciprocal_metric_tensor
- cell.reciprocal_orthogonal_matrix
- cell.reciprocal_vector_a
- cell.reciprocal_vector_b
- cell.reciprocal_vector_c
- cell.special_details
- cell.vector_a
- cell.vector_b
- cell.vector_c
- cell.volume
- cell.volume_su
- CELL_MEASUREMENT
- cell_measurement.pressure
- cell_measurement.pressure_su
- cell_measurement.radiation
- cell_measurement.reflns_used
- cell_measurement.temperature
- cell_measurement.temperature_su
- cell_measurement.theta_max
- cell_measurement.theta_min
- cell_measurement.wavelength
- CELL_MEASUREMENT_REFLN
- cell_measurement_refln.hkl
- 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.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_decomposition_su
- chemical.temperature_sublimation
- chemical.temperature_sublimation_gt
- chemical.temperature_sublimation_lt
- chemical.temperature_sublimation_su
- 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.distance
- chemical_conn_bond.id
- 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.doi
- 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.publisher
- citation.special_details
- citation.title
- citation.year
- CITATION_AUTHOR
- CITATION_EDITOR
- CLASS [defined in ]
- COMPUTING
- computing.cell_refinement
- computing.diffrn_collection
- computing.diffrn_reduction
- computing.molecular_graphics
- computing.publication_material
- computing.structure_refinement
- computing.structure_solution
- DATABASE
- DATABASE_CODE
- database_code.CAS
- database_code.COD
- database_code.CSD
- database_code.depnum_ccdc_archive
- database_code.depnum_ccdc_fiz
- database_code.depnum_ccdc_journal
- database_code.ICSD
- database_code.MDF
- database_code.NBS
- database_code.PDB
- database_code.PDF
- DATABASE_RELATED
- database_related.database_id
- database_related.entry_code
- database_related.id
- database_related.relation
- database_related.special_details
- DIFFRACTION
- DIFFRN
- diffrn.ambient_environment
- diffrn.ambient_pressure
- diffrn.ambient_pressure_gt
- diffrn.ambient_pressure_lt
- diffrn.ambient_pressure_su
- diffrn.ambient_temperature
- diffrn.ambient_temperature_details
- diffrn.ambient_temperature_gt
- diffrn.ambient_temperature_lt
- diffrn.ambient_temperature_su
- diffrn.crystal_support
- diffrn.crystal_treatment
- diffrn.measured_fraction_theta_full
- diffrn.measured_fraction_theta_max
- diffrn.special_details
- diffrn.symmetry_description
- DIFFRN_ATTENUATOR
- DIFFRN_DETECTOR
- diffrn_detector.area_resol_mean
- diffrn_detector.description
- diffrn_detector.details
- diffrn_detector.dtime
- diffrn_detector.make
- DIFFRN_MEASUREMENT
- diffrn_measurement.details
- diffrn_measurement.device_class
- diffrn_measurement.device_details
- diffrn_measurement.device_make
- diffrn_measurement.method
- diffrn_measurement.specimen_attachment_type
- diffrn_measurement.specimen_support
- DIFFRN_ORIENT
- 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_matrix.UBIJ
- 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.hkl
- 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.details
- diffrn_radiation_wavelength.determination
- diffrn_radiation_wavelength.id
- diffrn_radiation_wavelength.value
- diffrn_radiation_wavelength.value_su
- 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.detect_slit_horiz
- diffrn_refln.detect_slit_vert
- diffrn_refln.elapsed_time
- diffrn_refln.hkl
- diffrn_refln.index_h
- diffrn_refln.index_k
- diffrn_refln.index_l
- diffrn_refln.intensity_net
- diffrn_refln.intensity_net_su
- 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.sin_theta_over_lambda
- diffrn_refln.standard_code
- diffrn_refln.wavelength
- diffrn_refln.wavelength_id
- DIFFRN_REFLNS
- diffrn_reflns.av_R_equivalents
- diffrn_reflns.av_sunetI_over_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.limit_max
- diffrn_reflns.limit_min
- diffrn_reflns.number
- diffrn_reflns.point_measured_fraction_full
- diffrn_reflns.point_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_CLASS
- diffrn_reflns_class.av_R_eq
- diffrn_reflns_class.av_suI_over_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
- DIFFRN_REFLNS_TRANSF_MATRIX
- 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_transf_matrix.TIJ
- DIFFRN_SCALE_GROUP
- DIFFRN_SOURCE
- diffrn_source.current
- diffrn_source.description
- diffrn_source.details
- diffrn_source.device
- diffrn_source.make
- diffrn_source.power
- diffrn_source.size
- diffrn_source.take_off_angle
- diffrn_source.target
- diffrn_source.voltage
- DIFFRN_STANDARD
- diffrn_standard.decay_percent
- diffrn_standard.interval_count
- diffrn_standard.interval_time
- diffrn_standard.number
- diffrn_standard.scale_su_average
- DIFFRN_STANDARD_REFLN
- diffrn_standard_refln.code
- diffrn_standard_refln.hkl
- diffrn_standard_refln.index_h
- diffrn_standard_refln.index_k
- diffrn_standard_refln.index_l
- DISPLAY
- DISPLAY_COLOUR
- EXPTL
- exptl.crystals_number
- exptl.method
- exptl.method_details
- exptl.special_details
- exptl.transmission_factor_max
- exptl.transmission_factor_min
- EXPTL_ABSORPT
- exptl_absorpt.coefficient_mu
- exptl_absorpt.correction_T_max
- exptl_absorpt.correction_T_min
- exptl_absorpt.correction_type
- exptl_absorpt.process_details
- EXPTL_CRYSTAL
- exptl_crystal.colour
- exptl_crystal.density_diffrn
- exptl_crystal.density_meas
- exptl_crystal.density_meas_gt
- exptl_crystal.density_meas_lt
- exptl_crystal.density_meas_su
- exptl_crystal.density_meas_temp
- exptl_crystal.density_meas_temp_gt
- exptl_crystal.density_meas_temp_lt
- exptl_crystal.density_meas_temp_su
- 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_APPEARANCE
- 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.hkl
- exptl_crystal_face.index_h
- exptl_crystal_face.index_k
- exptl_crystal_face.index_l
- exptl_crystal_face.perp_dist
- FUNCTION
- function.AtomType
- function.Closest
- function.SeitzFromJones
- function.SymEquiv
- function.SymKey
- function.SymLat
- function.Symop
- GEOM
- geom.bond_distance_incr
- geom.bond_distance_min
- geom.contact_distance_incr
- geom.contact_distance_min
- geom.special_details
- GEOM_ANGLE
- geom_angle.atom_site_label_1
- geom_angle.atom_site_label_2
- geom_angle.atom_site_label_3
- geom_angle.distances
- geom_angle.id
- geom_angle.publ_flag
- geom_angle.site_symmetry_1
- geom_angle.site_symmetry_2
- geom_angle.site_symmetry_3
- geom_angle.value
- geom_angle.value_su
- GEOM_BOND
- geom_bond.atom_site_label_1
- geom_bond.atom_site_label_2
- geom_bond.distance
- geom_bond.distance_su
- geom_bond.id
- geom_bond.multiplicity
- 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.distance_su
- geom_contact.id
- geom_contact.publ_flag
- geom_contact.site_symmetry_1
- geom_contact.site_symmetry_2
- GEOM_HBOND
- geom_hbond.angle_DHA
- geom_hbond.angle_DHA_su
- geom_hbond.atom_site_label_A
- geom_hbond.atom_site_label_D
- geom_hbond.atom_site_label_H
- geom_hbond.distance_DA
- geom_hbond.distance_DA_su
- geom_hbond.distance_DH
- geom_hbond.distance_DH_su
- geom_hbond.distance_HA
- geom_hbond.distance_HA_su
- geom_hbond.id
- geom_hbond.publ_flag
- geom_hbond.site_symmetry_A
- geom_hbond.site_symmetry_D
- geom_hbond.site_symmetry_H
- GEOM_TORSION
- geom_torsion.angle
- geom_torsion.angle_su
- 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.distances
- geom_torsion.id
- 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.data_validation_number
- 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.validation_number
- journal.volume
- journal.year
- JOURNAL_COEDITOR
- journal_coeditor.address
- journal_coeditor.code
- journal_coeditor.email
- journal_coeditor.fax
- journal_coeditor.name
- journal_coeditor.notes
- journal_coeditor.phone
- JOURNAL_DATE
- journal_date.accepted
- journal_date.from_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_date.to_coeditor
- JOURNAL_INDEX
- JOURNAL_TECHEDITOR
- journal_techeditor.address
- journal_techeditor.code
- journal_techeditor.email
- journal_techeditor.fax
- journal_techeditor.name
- journal_techeditor.notes
- journal_techeditor.phone
- MODEL
- MODEL_SITE
- model_site.adp_eigen_system
- model_site.adp_matrix_beta
- model_site.Cartn_xyz
- model_site.display_colour
- model_site.fract_xyz
- model_site.id
- model_site.index
- model_site.label
- model_site.mole_index
- model_site.radius_bond
- model_site.radius_contact
- model_site.symop
- model_site.type_symbol
- PUBL
- PUBL_AUTHOR
- publ_author.address
- publ_author.email
- publ_author.footnote
- publ_author.id
- publ_author.id_audit
- publ_author.id_iucr
- publ_author.id_orcid
- publ_author.name
- publ_author.phone
- PUBL_BODY
- PUBL_CONTACT_AUTHOR
- publ_contact_author.address
- publ_contact_author.email
- publ_contact_author.fax
- publ_contact_author.id
- publ_contact_author.id_iucr
- publ_contact_author.id_orcid
- publ_contact_author.name
- publ_contact_author.phone
- PUBL_MANUSCRIPT
- PUBL_MANUSCRIPT_INCL_EXTRA
- PUBL_REQUESTED
- PUBL_SECTION
- publ_section.abstract
- publ_section.acknowledgements
- publ_section.comment
- publ_section.discussion
- publ_section.experimental
- publ_section.exptl_prep
- publ_section.exptl_refinement
- publ_section.exptl_solution
- publ_section.figure_captions
- publ_section.introduction
- publ_section.keywords
- publ_section.references
- publ_section.related_literature
- publ_section.synopsis
- publ_section.table_legends
- publ_section.title
- publ_section.title_footnote
- PUBLICATION
- REFINE
- REFINE_DIFF
- refine_diff.density_max
- refine_diff.density_max_su
- refine_diff.density_min
- refine_diff.density_min_su
- refine_diff.density_rms
- refine_diff.density_rms_su
- REFINE_LS
- refine_ls.abs_structure_details
- refine_ls.abs_structure_Flack
- refine_ls.abs_structure_Flack_su
- refine_ls.abs_structure_Rogers
- refine_ls.abs_structure_Rogers_su
- refine_ls.d_res_high
- refine_ls.d_res_low
- refine_ls.extinction_coef
- refine_ls.extinction_coef_su
- 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_all_su
- refine_ls.goodness_of_fit_gt
- refine_ls.goodness_of_fit_gt_su
- 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_reflns_gt
- refine_ls.number_restraints
- refine_ls.R_factor_all
- refine_ls.R_factor_gt
- refine_ls.R_Fsqd_factor
- refine_ls.R_I_factor
- refine_ls.restrained_S_all
- refine_ls.restrained_S_gt
- refine_ls.shift_over_su_max
- refine_ls.shift_over_su_max_lt
- refine_ls.shift_over_su_mean
- refine_ls.shift_over_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_ref
- 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.F_calc
- refln.F_complex
- refln.F_meas
- refln.F_meas_su
- refln.F_squared_calc
- refln.F_squared_meas
- refln.F_squared_meas_su
- refln.fom
- refln.form_factor_table
- refln.hkl
- refln.include_status
- refln.index_h
- refln.index_k
- refln.index_l
- refln.intensity_calc
- refln.intensity_meas
- refln.intensity_meas_su
- refln.Lp_factor
- refln.mean_path_length_tbar
- refln.phase_calc
- refln.phase_meas
- refln.refinement_status
- refln.scale_group_code
- refln.sin_theta_over_lambda
- refln.symmetry_epsilon
- refln.symmetry_multiplicity
- refln.wavelength
- refln.wavelength_id
- REFLNS
- reflns.apply_dispersion_to_Fcalc
- 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.limit_max
- reflns.limit_min
- reflns.number_gt
- reflns.number_total
- reflns.special_details
- reflns.threshold_expression
- REFLNS_CLASS
- 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
- REFLNS_SCALE
- REFLNS_SHELL
- reflns_shell.d_res_high
- reflns_shell.d_res_limits
- reflns_shell.d_res_low
- reflns_shell.meanI_over_suI_all
- reflns_shell.meanI_over_suI_gt
- reflns_shell.number_measured_all
- reflns_shell.number_measured_gt
- reflns_shell.number_possible
- reflns_shell.number_unique_all
- reflns_shell.number_unique_gt
- reflns_shell.percent_possible_all
- reflns_shell.percent_possible_gt
- reflns_shell.Rmerge_F_all
- reflns_shell.Rmerge_F_gt
- reflns_shell.Rmerge_I_all
- reflns_shell.Rmerge_I_gt
- SPACE_GROUP
- space_group.Bravais_type
- space_group.centring_type
- space_group.crystal_system
- space_group.IT_coordinate_system_code
- space_group.IT_number
- space_group.Laue_class
- space_group.multiplicity
- space_group.name_H-M_alt
- space_group.name_H-M_alt_description
- space_group.name_H-M_full
- space_group.name_H-M_ref
- space_group.name_Hall
- space_group.name_Schoenflies
- space_group.Patterson_name_H-M
- space_group.point_group_H-M
- symmetry.cell_setting
- SPACE_GROUP_GENERATOR
- SPACE_GROUP_SYMOP
- space_group_symop.id
- space_group_symop.operation_description
- space_group_symop.operation_xyz
- space_group_symop.R
- space_group_symop.RT
- space_group_symop.Seitz_matrix
- space_group_symop.T
- SPACE_GROUP_WYCKOFF
- space_group_Wyckoff.coords_xyz
- space_group_Wyckoff.id
- space_group_Wyckoff.letter
- space_group_Wyckoff.multiplicity
- space_group_Wyckoff.site_symmetry
- STRUCTURE
- VALENCE
- 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