Tag category Assigned_peak_chem_shift
Key tags (columns):
Tags in table Assigned_peak_chem_shift:
| Tag | Description | data type | Mandatory |
|---|---|---|---|
| Ambiguity_code | Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels stereospecific ambiguity intra and inter residue ambiguities e | int | |
| Ambiguity_set_ID | The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4 5 or 6 that form a known set of related chemical shift assignments. | int | |
| Assembly_atom_ID | Pointer to '_Atom.Assembly_atom_ID' | int | |
| Assigned_chem_shift_list_ID | Pointer to '_Assigned_chem_shift_list.ID' | int | |
| Atom_chem_shift_ID | Pointer to '_Atom_chem_shift.ID' | int | |
| Atom_ID | Pointer to '_Chem_comp_atom.Atom_ID' | atcode | |
| Auth_amb_atom_grp_ID | The author defined unque identifier that identifies a grouping of chemical shifts with ambiguity codes of 4 5 or 6. | int | |
| Auth_ambiguity_code | Ambiguity codes are used to define chemical shifts that have not been assigned to specific atoms in the molecule studied. Ambiguity in chemical shifts may exist at several different levels stereospecific ambiguity intra and inter residue ambiguities e | code | |
| Auth_ambiguity_set_ID | The ambiguity_set_ID defines those chemical shifts with ambiguity codes of 4 5 or 6 that form a known set of related chemical shift assignments. | code | |
| 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. | line | |
| Auth_atom_peak_num | An alternative identifier found in the original peak list data that is a pointer to information in another author provided data table or file. Note that the value does not need to to the value for Peak_ID. | int | |
| 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. | line | |
| Auth_entity_ID | An alternative identifier for Entity_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 | line | |
| 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 | line | |
| Comp_ID | Pointer to '_Chem_comp.ID' | code | |
| Comp_index_ID | Pointer to '_Entity_comp_index.ID' | int | |
| Contribution_fractional_val | The fraction of a peak assigned to this peak ID. | float | |
| Details | Text describing the reported spectral peak assignment. | text | |
| Entity_assembly_ID | Pointer to '_Entity_assembly.ID' | int | |
| Entity_ID | Pointer to '_Entity.ID' | int | |
| Entry_ID | Pointer to '_Entry.ID' | code | yes |
| Figure_of_merit | Figure of merit for the assignment of the atom to the reported chemical shift value. | float | |
| Magnetization_linkage_ID | The Magnetization linkage ID is used to group peaks that may be related through a magnetization transfer event. | int | |
| Peak_ID | Pointer to '_Peak.ID' | int | yes |
| Resonance_ID | Pointer to '_Resonance.ID' | int | |
| Set_ID | The Set ID allows assigned peaks to be grouped. This might be by spin-system or other form of grouping implemented by software or by the user. | int | yes |
| Sf_ID | Pointer to '_Spectral_peak_list.Sf_ID' | int | yes |
| Spectral_dim_ID | Pointer to '_Spectral_dim.ID' | int | yes |
| Spectral_peak_list_ID | Pointer to '_Spectral_peak_list.ID' | int | yes |
| Val | The quantitative chemical shift value assigned to the peak. | float | |