Tag category Tensor
Key tags (columns):
Tags in table Tensor:
| Tag | Description | data type | Mandatory |
|---|---|---|---|
| Anisotropic_val | The tensor anisotropy value common to the Haeberlen convention. | float | |
| Anti_sym_comp_1_2_val | The value for the 1_2 element of the anti-symmetric component of the chemical shielding tensor. | float | |
| Anti_sym_comp_1_3_val | The value for the 1_3 element of the anti-symmetric component of the chemical shielding tensor. | float | |
| Anti_sym_comp_2_3_val | The value for the 2_3 element of the anti-symmetric component of the chemical shielding tensor. | float | |
| Assembly_atom_ID | Pointer to '_Atom.Assembly_atom_ID' | int | |
| Atom_ID | Pointer to '_Chem_comp_atom.Atom_ID' | atcode | yes |
| Atom_isotope_number | The mass number for the chemical element defined by the tag '_Atom_type' or any of its related tags. | int | |
| Atom_type | The value for this tag is a standard IUPAC abbreviation for an element (i.e. H C P etc). | code | yes |
| Auth_atom_ID | An alternative identifier for Atom_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. | code | |
| Auth_comp_ID | An alternative identifier for Comp_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. | code | |
| Auth_entity_assembly_ID | An alternative identifier for Entity_assembly_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to | code | |
| Auth_seq_ID | An alternative identifier for Seq_ID that may be provided by an author in order to match that used in the publication that describes the experimental data. Note that the value is not required to be a number and does not need to correspond to the value fo | code | |
| Axial_sym_axis_aximuthal_angle | The value for the axial symmetric axis aximuthal angle. | float | |
| Axial_sym_axis_polar_angle | The value for the axial symmetric axis polar angle. | float | |
| Calc_type_ID | Pointer to '_Chem_shifts_calc_type.ID' | int | yes |
| Comp_ID | Pointer to '_Chem_comp.ID' | code | yes |
| Comp_index_ID | Pointer to '_Entity_comp_index.ID' | int | yes |
| Entity_assembly_ID | Pointer to '_Entity_assembly.ID' | int | yes |
| Entity_ID | Pointer to '_Entity.ID' | int | yes |
| Entry_ID | Pointer to '_Entry.ID' | code | yes |
| Euler_angle_alpha | The alpha Euler angle. | float | |
| Euler_angle_beta | The beta Euler angle. | float | |
| Euler_angle_gamma | The gamma Euler angle. | float | |
| Haeberlen_asymmetry_val | The Haeberlen convention asymmetry value (eta). | float | |
| Haeberlen_delta_val | Haeberlen convention delta value. | float | |
| Herzfeld-Berger_mu_val | Herzfeld-Berger convention value mu. | float | |
| Herzfeld-Berger_span_val | The maximum width of the powder pattern. The span in the Herzfeld-Berger convention or omega value. | float | |
| ID | Unique identifier for the tensor. | int | yes |
| Interatomic_distance_list_ID | Pointer to '_Interatomic_dist.Interatomic_distance_list_ID' | int | |
| Interatomic_dist_set_ID | Pointer to '_Interatomic_dist.Set_ID' | int | |
| Isotropic_comp_1_1_val | By the standard convention the value of the 1_1 element of the isotropic component of the chemical shielding tensor. | float | |
| Isotropic_comp_2_2_val | By the standard convention the value of the 2_2 element of the isotropic component of the chemical shielding tensor. | float | |
| Isotropic_comp_3_3_val | By the standard convention the value of the 3_3 element of the isotropic component of the chemical shielding tensor. | float | |
| Isotropic_val | The average value of the tensor principal components. This applies to the standard Herzfeld-Berger and Haeberlen conventions | float | |
| Reduceable_matrix_1_1_val | The value for the 1_1 element of the reduceable chemical shielding tensor. | float | |
| Reduceable_matrix_1_2_val | The value for the 1_2 element of the reduceable chemical shielding tensor. | float | |
| Reduceable_matrix_1_3_val | The value for the 1_3 element of the reduceable chemical shielding tensor. | float | |
| Reduceable_matrix_2_1_val | The value for the 2_1 element of the reduceable chemical shielding tensor. | float | |
| Reduceable_matrix_2_2_val | The value for the 2_2 element of the reduceable chemical shielding tensor. | float | |
| Reduceable_matrix_2_3_val | The value for the 2_3 element of the reduceable chemical shielding tensor. | float | |
| Reduceable_matrix_3_1_val | The value for the 3_1 element of the reduceable chemical shielding tensor. | float | |
| Reduceable_matrix_3_2_val | The value for the 3_2 element of the reduceable chemical shielding tensor. | float | |
| Reduceable_matrix_3_3_val | The value for the 3_3 element of the reduceable chemical shielding tensor. | float | |
| Rhombic_val | The value for the tensor rhombic value. | float | |
| Seq_ID | Pointer to '_Entity_poly_seq.Num' | int | |
| Sf_ID | Pointer to '_Tensor_list.Sf_ID' | int | yes |
| Sym_traceless_comp_1_1_val | The value for the 1_1 element of the symmetric traceless component of the chemical shielding tensor. | float | |
| Sym_traceless_comp_1_2_val | The value for the 1_2 element of the symmetric traceless component of the chemical shielding tensor. | float | |
| Sym_traceless_comp_1_3_val | The value for the 1_3 element of the symmetric traceless component of the chemical shielding tensor. | float | |
| Sym_traceless_comp_2_2_val | The value for the 2_2 element of the symmetric traceless component of the chemical shielding tensor. | float | |
| Sym_traceless_comp_2_3_val | The value for the 2_3 element of the symmetric traceless component of the chemical shielding tensor. | float | |
| Tensor_list_ID | Pointer to '_Tensor_list.ID' | int | yes |