PDBx:pdbx_phasing_dm_shellType

Data items in the PDBX_PHASING_DM_SHELL category record details about 
density modification in resolution shell.

    Example 1 - density modification with shells
<PDBx:pdbx_phasing_dm_shellCategory>
   <PDBx:pdbx_phasing_dm_shell d_res_high="7.73" d_res_low="100.00">
      <PDBx:delta_phi_final>24.7</PDBx:delta_phi_final>
      <PDBx:fom>0.879</PDBx:fom>
      <PDBx:reflns>502</PDBx:reflns>
   </PDBx:pdbx_phasing_dm_shell>
   <PDBx:pdbx_phasing_dm_shell d_res_high="6.24" d_res_low="7.73">
      <PDBx:delta_phi_final>29.2</PDBx:delta_phi_final>
      <PDBx:fom>0.857</PDBx:fom>
      <PDBx:reflns>506</PDBx:reflns>
   </PDBx:pdbx_phasing_dm_shell>
   <PDBx:pdbx_phasing_dm_shell d_res_high="5.50" d_res_low="6.24">
      <PDBx:delta_phi_final>29.2</PDBx:delta_phi_final>
      <PDBx:fom>0.838</PDBx:fom>
      <PDBx:reflns>504</PDBx:reflns>
   </PDBx:pdbx_phasing_dm_shell>
   <PDBx:pdbx_phasing_dm_shell d_res_high="5.02" d_res_low="5.50">
      <PDBx:delta_phi_final>25.3</PDBx:delta_phi_final>
      <PDBx:fom>0.851</PDBx:fom>
      <PDBx:reflns>502</PDBx:reflns>
   </PDBx:pdbx_phasing_dm_shell>
   <PDBx:pdbx_phasing_dm_shell d_res_high="4.67" d_res_low="5.02">
      <PDBx:delta_phi_final>22.7</PDBx:delta_phi_final>
      <PDBx:fom>0.831</PDBx:fom>
      <PDBx:reflns>503</PDBx:reflns>
   </PDBx:pdbx_phasing_dm_shell>
</PDBx:pdbx_phasing_dm_shellCategory>

Complex Type Information

Model

Used By

Source

<xsd:complexType name="pdbx_phasing_dm_shellType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the PDBX_PHASING_DM_SHELL category record details about density modification in resolution shell. Example 1 - density modification with shells <PDBx:pdbx_phasing_dm_shellCategory> <PDBx:pdbx_phasing_dm_shell d_res_high="7.73" d_res_low="100.00"> <PDBx:delta_phi_final>24.7</PDBx:delta_phi_final> <PDBx:fom>0.879</PDBx:fom> <PDBx:reflns>502</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="6.24" d_res_low="7.73"> <PDBx:delta_phi_final>29.2</PDBx:delta_phi_final> <PDBx:fom>0.857</PDBx:fom> <PDBx:reflns>506</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="5.50" d_res_low="6.24"> <PDBx:delta_phi_final>29.2</PDBx:delta_phi_final> <PDBx:fom>0.838</PDBx:fom> <PDBx:reflns>504</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="5.02" d_res_low="5.50"> <PDBx:delta_phi_final>25.3</PDBx:delta_phi_final> <PDBx:fom>0.851</PDBx:fom> <PDBx:reflns>502</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="4.67" d_res_low="5.02"> <PDBx:delta_phi_final>22.7</PDBx:delta_phi_final> <PDBx:fom>0.831</PDBx:fom> <PDBx:reflns>503</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> </PDBx:pdbx_phasing_dm_shellCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="pdbx_phasing_dm_shell" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="delta_phi_final" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of attribute delta_phi_final in category pdbx_phasing_dm_shell identifies phase difference after density modification with resolution shells.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="delta_phi_initial" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of attribute delta_phi_initial in category pdbx_phasing_dm_shell identifies phase difference before density modification with resolution shells.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="fom" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of attribute fom in category pdbx_phasing_dm_shell identifies the figure of merit for all the data with resolution shells.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="fom_acentric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of attribute fom_acentric in category pdbx_phasing_dm_shell identifies the figure of merit for acentric data with resolution shells</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="fom_centric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of attribute fom_centric in category pdbx_phasing_dm_shell identifies the figure of merit for centric data with resolution shells.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="reflns" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of attribute reflns in category pdbx_phasing_dm_shell identifies the number of centric and acentric reflections with resolution shells.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="reflns_acentric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of attribute reflns_acentric in category pdbx_phasing_dm_shell identifies the number of acentric reflections with resolution shells.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="reflns_centric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The value of attribute reflns_centric in category pdbx_phasing_dm_shell identifies the number of centric reflections with resolution shells.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
        </xsd:all>
        <xsd:attribute name="d_res_high" use="required" type="xsd:decimal">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">The value of attribute d_res_high in category pdbx_phasing_dm_shell identifies high resolution</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="d_res_low" use="required" type="xsd:decimal">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">The value of attribute d_res_low in category pdbx_phasing_dm_shell identifies low resolution</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>