PDBx:pdbx_nmr_uploadType

Items in the pdbx_nmr_upload category provide information about the data files uploaded by a depositor using the deposition system.

Complex Type Information

Model

Used By

Source

<xsd:complexType name="pdbx_nmr_uploadType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Items in the pdbx_nmr_upload category provide information about the data files uploaded by a depositor using the deposition system.</xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="pdbx_nmr_upload" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="data_file_category" minOccurs="1" maxOccurs="1">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">This item defines the kind of data in the file uploaded for deposition.</xsd:documentation>
            </xsd:annotation>
            <xsd:simpleType>
              <xsd:restriction base="xsd:string">
                <xsd:enumeration value="assigned_chemical_shifts"/>
                <xsd:enumeration value="coupling_constants"/>
                <xsd:enumeration value="spectral_peak_list"/>
                <xsd:enumeration value="resonance_linker"/>
                <xsd:enumeration value="chem_shift_isotope_effect"/>
                <xsd:enumeration value="chem_shift_interaction_diff"/>
                <xsd:enumeration value="chem_shift_anisotropy"/>
                <xsd:enumeration value="theoretical_chem_shifts"/>
                <xsd:enumeration value="chem_shifts_calc_type"/>
                <xsd:enumeration value="RDCs"/>
                <xsd:enumeration value="dipolar_couplings"/>
                <xsd:enumeration value="spectral_density_values"/>
                <xsd:enumeration value="other_data_types"/>
                <xsd:enumeration value="chemical_rates"/>
                <xsd:enumeration value="H_exch_rates"/>
                <xsd:enumeration value="H_exch_protection_factors"/>
                <xsd:enumeration value="homonucl_NOEs"/>
                <xsd:enumeration value="heteronucl_NOEs"/>
                <xsd:enumeration value="heteronucl_T1_relaxation"/>
                <xsd:enumeration value="heteronucl_T1rho_relaxation"/>
                <xsd:enumeration value="heteronucl_T2_relaxation"/>
                <xsd:enumeration value="auto_relaxation"/>
                <xsd:enumeration value="dipole_dipole_relaxation"/>
                <xsd:enumeration value="dipole_dipole_cross_correlations"/>
                <xsd:enumeration value="dipole_CSA_cross_correlations"/>
                <xsd:enumeration value="order_parameters"/>
                <xsd:enumeration value="pH_titration"/>
                <xsd:enumeration value="pH_param_list"/>
                <xsd:enumeration value="D_H_fractionation_factors"/>
                <xsd:enumeration value="binding_data"/>
                <xsd:enumeration value="binding_param_list"/>
                <xsd:enumeration value="deduced_secd_struct_features"/>
                <xsd:enumeration value="deduced_hydrogen_bonds"/>
                <xsd:enumeration value="conformer_statistics"/>
                <xsd:enumeration value="constraint_statistics"/>
                <xsd:enumeration value="representative_conformer"/>
                <xsd:enumeration value="conformer_family_coord_set"/>
                <xsd:enumeration value="force_constants"/>
                <xsd:enumeration value="angular_order_parameters"/>
                <xsd:enumeration value="tertiary_struct_elements"/>
                <xsd:enumeration value="secondary_structs"/>
                <xsd:enumeration value="bond_annotation"/>
                <xsd:enumeration value="structure_interactions"/>
                <xsd:enumeration value="other_struct_features"/>
                <xsd:enumeration value="tensor"/>
                <xsd:enumeration value="interatomic_distance"/>
                <xsd:enumeration value="general_distance_constraints"/>
                <xsd:enumeration value="distance_constraints"/>
                <xsd:enumeration value="floating_chiral_stereo_assign"/>
                <xsd:enumeration value="torsion_angle_constraints"/>
                <xsd:enumeration value="RDC_constraints"/>
                <xsd:enumeration value="J_three_bond_constraints"/>
                <xsd:enumeration value="CA_CB_chem_shift_constraints"/>
                <xsd:enumeration value="H_chem_shift_constraints"/>
                <xsd:enumeration value="other_constraints"/>
              </xsd:restriction>
            </xsd:simpleType>
          </xsd:element>
          <xsd:element name="data_file_name" minOccurs="1" maxOccurs="1" type="xsd:string">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The directory path and file name for the data file that is to be uploaded. t1_relaxation_1.txt</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="data_file_syntax" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The syntax or format of the file that is uploaded. NMR-STAR v3</xsd:documentation>
            </xsd:annotation>
            <xsd:simpleType>
              <xsd:restriction base="xsd:string">
                <xsd:enumeration value="NMR-STAR 3.1"/>
                <xsd:enumeration value="NMR-STAR 2.1"/>
                <xsd:enumeration value="AMBER"/>
                <xsd:enumeration value="XPLOR"/>
                <xsd:enumeration value="TALOS"/>
                <xsd:enumeration value="CYANA"/>
              </xsd:restriction>
            </xsd:simpleType>
          </xsd:element>
        </xsd:all>
        <xsd:attribute name="data_file_id" use="required" type="xsd:integer">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">Unique code assigned to the file being uploaded by the depositor and that contains data that will be incorporated into this entry.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="entry_id" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">Pointer to '_entry.id' 2DSX</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>