PDBx:pdbx_phasing_MAD_shellType 

Data items in the PDBX_PHASING_MAD_SHELL category record details about
the phasing of the structure, when methods involving multiple
anomalous dispersion techniques are involved (note: the
values are overall, but broken down into shells of resolution) 


    Example 1 - 
<PDBx:pdbx_phasing_MAD_shellCategory>
   <PDBx:pdbx_phasing_MAD_shell d_res_high="7.77" d_res_low="22.60">
      <PDBx:fom_acentric>0.886</PDBx:fom_acentric>
      <PDBx:fom_centric>0.641</PDBx:fom_centric>
      <PDBx:reflns_acentric>64</PDBx:reflns_acentric>
      <PDBx:reflns_centric>23</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_shell>
   <PDBx:pdbx_phasing_MAD_shell d_res_high="5.67" d_res_low="7.77">
      <PDBx:fom_acentric>0.863</PDBx:fom_acentric>
      <PDBx:fom_centric>0.642</PDBx:fom_centric>
      <PDBx:reflns_acentric>132</PDBx:reflns_acentric>
      <PDBx:reflns_centric>32</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_shell>
   <PDBx:pdbx_phasing_MAD_shell d_res_high="4.68" d_res_low="5.67">
      <PDBx:fom_acentric>0.842</PDBx:fom_acentric>
      <PDBx:fom_centric>0.737</PDBx:fom_centric>
      <PDBx:reflns_acentric>182</PDBx:reflns_acentric>
      <PDBx:reflns_centric>27</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_shell>
   <PDBx:pdbx_phasing_MAD_shell d_res_high="4.07" d_res_low="4.68">
      <PDBx:fom_acentric>0.789</PDBx:fom_acentric>
      <PDBx:fom_centric>0.682</PDBx:fom_centric>
      <PDBx:reflns_acentric>209</PDBx:reflns_acentric>
      <PDBx:reflns_centric>24</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_shell>
   <PDBx:pdbx_phasing_MAD_shell d_res_high="3.65" d_res_low="4.07">
      <PDBx:fom_acentric>0.772</PDBx:fom_acentric>
      <PDBx:fom_centric>0.633</PDBx:fom_centric>
      <PDBx:reflns_acentric>246</PDBx:reflns_acentric>
      <PDBx:reflns_centric>27</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_shell>
   <PDBx:pdbx_phasing_MAD_shell d_res_high="3.34" d_res_low="3.65">
      <PDBx:fom_acentric>0.752</PDBx:fom_acentric>
      <PDBx:fom_centric>0.700</PDBx:fom_centric>
      <PDBx:reflns_acentric>260</PDBx:reflns_acentric>
      <PDBx:reflns_centric>31</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_shell>
</PDBx:pdbx_phasing_MAD_shellCategory>

Complex Type Information

Model

PDBx:pdbx_phasing_MAD_shell*
Children: PDBx:pdbx_phasing_MAD_shell

Used By

Element PDBx:datablockType/PDBx:pdbx_phasing_MAD_shellCategory

Source 

<xsd:complexType name="pdbx_phasing_MAD_shellType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the PDBX_PHASING_MAD_SHELL category record details about the phasing of the structure, when methods involving multiple anomalous dispersion techniques are involved (note: the values are overall, but broken down into shells of resolution) Example 1 - <PDBx:pdbx_phasing_MAD_shellCategory> <PDBx:pdbx_phasing_MAD_shell d_res_high="7.77" d_res_low="22.60"> <PDBx:fom_acentric>0.886</PDBx:fom_acentric> <PDBx:fom_centric>0.641</PDBx:fom_centric> <PDBx:reflns_acentric>64</PDBx:reflns_acentric> <PDBx:reflns_centric>23</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_shell> <PDBx:pdbx_phasing_MAD_shell d_res_high="5.67" d_res_low="7.77"> <PDBx:fom_acentric>0.863</PDBx:fom_acentric> <PDBx:fom_centric>0.642</PDBx:fom_centric> <PDBx:reflns_acentric>132</PDBx:reflns_acentric> <PDBx:reflns_centric>32</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_shell> <PDBx:pdbx_phasing_MAD_shell d_res_high="4.68" d_res_low="5.67"> <PDBx:fom_acentric>0.842</PDBx:fom_acentric> <PDBx:fom_centric>0.737</PDBx:fom_centric> <PDBx:reflns_acentric>182</PDBx:reflns_acentric> <PDBx:reflns_centric>27</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_shell> <PDBx:pdbx_phasing_MAD_shell d_res_high="4.07" d_res_low="4.68"> <PDBx:fom_acentric>0.789</PDBx:fom_acentric> <PDBx:fom_centric>0.682</PDBx:fom_centric> <PDBx:reflns_acentric>209</PDBx:reflns_acentric> <PDBx:reflns_centric>24</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_shell> <PDBx:pdbx_phasing_MAD_shell d_res_high="3.65" d_res_low="4.07"> <PDBx:fom_acentric>0.772</PDBx:fom_acentric> <PDBx:fom_centric>0.633</PDBx:fom_centric> <PDBx:reflns_acentric>246</PDBx:reflns_acentric> <PDBx:reflns_centric>27</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_shell> <PDBx:pdbx_phasing_MAD_shell d_res_high="3.34" d_res_low="3.65"> <PDBx:fom_acentric>0.752</PDBx:fom_acentric> <PDBx:fom_centric>0.700</PDBx:fom_centric> <PDBx:reflns_acentric>260</PDBx:reflns_acentric> <PDBx:reflns_centric>31</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_shell> </PDBx:pdbx_phasing_MAD_shellCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="pdbx_phasing_MAD_shell" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="R_cullis" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute R_cullis in category pdbx_phasing_MAD_shell records R_cullis for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="R_cullis_acentric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute R_cullis_acentric in category pdbx_phasing_MAD_shell records R_cullis using acentric data for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="R_cullis_centric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute R_cullis_centric in category pdbx_phasing_MAD_shell records R_cullis using centric data for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="R_kraut" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute R_kraut in category pdbx_phasing_MAD_shell records R_kraut for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="R_kraut_acentric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute r_kraut_acentric in category pdbx_phasing_MAD_shell records R_kraut using acentric data for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="R_kraut_centric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute R_kraut_centric in category pdbx_phasing_MAD_shell records R_kraut using centric data for MAD phasing.</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">attribute fom in category pdbx_phasing_MAD_shell records the figure of merit for MAD phasing.</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">attribute fom_acentric in category pdbx_phasing_MAD_shell records the figure of merit using acentric data for MAD phasing.</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">attribute fom_centric in category pdbx_phasing_MAD_shell records the figure of merit using centric data for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="loc" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute loc in category pdbx_phasing_MAD_shell records lack of closure for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="loc_acentric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute loc_acentric in category pdbx_phasing_MAD_shell records lack of closure using acentric data for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="loc_centric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute loc_centric in category pdbx_phasing_MAD_shell records lack of closure using centric data for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="power" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute loc in category pdbx_phasing_MAD_shell records phasing power for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="power_acentric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute power_acentric in category pdbx_phasing_MAD_shell records phasing powe using acentric data for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="power_centric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute power_centric in category pdbx_phasing_MAD_shell records phasing powe using centric data for MAD phasing.</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">attribute reflns in category pdbx_phasing_MAD_shell records the number of reflections used for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="reflns_acentric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute reflns_acentric in category pdbx_phasing_MAD_shell records the number of acentric reflections for MAD phasing.</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">attribute reflns_centric in category pdbx_phasing_MAD_shell records the number of centric reflections for MAD phasing.</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">attribute d_res_high in category pdbx_phasing_MAD_shell records the higher resolution for the shell.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="d_res_low" use="required" type="xsd:decimal">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">attribute d_res_low in category pdbx_phasing_MAD_shell records the lower resolution for the shell.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>