PDBx:pdbx_phasing_MAD_setType 

Record details about each phasing set: (Note: the phasing 
set is different from data set. for example: if there are 
three data sets, the inflection point (IP), the peak (PK) 
and the high remote (HR), the combination of the phasing 
set will be IP_iso, PK_iso (the isomorphous repleacement 
with HR as 'native'), IP_ano, PK_ano and HR_ano (the 
anomalous difference with itself). Therefore, there are 
five set used for phasing.


    Example 1 -  three wavelengths 
<PDBx:pdbx_phasing_MAD_setCategory>
   <PDBx:pdbx_phasing_MAD_set id="ISO_1">
      <PDBx:R_cullis_acentric>0.000</PDBx:R_cullis_acentric>
      <PDBx:R_cullis_centric>0.000</PDBx:R_cullis_centric>
      <PDBx:d_res_high>2.00</PDBx:d_res_high>
      <PDBx:d_res_low>22.60</PDBx:d_res_low>
      <PDBx:reflns_acentric>5387</PDBx:reflns_acentric>
      <PDBx:reflns_centric>471</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_set>
   <PDBx:pdbx_phasing_MAD_set id="ISO_2">
      <PDBx:R_cullis_acentric>0.803</PDBx:R_cullis_acentric>
      <PDBx:R_cullis_centric>0.718</PDBx:R_cullis_centric>
      <PDBx:d_res_high>2.00</PDBx:d_res_high>
      <PDBx:d_res_low>22.60</PDBx:d_res_low>
      <PDBx:reflns_acentric>5365</PDBx:reflns_acentric>
      <PDBx:reflns_centric>469</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_set>
   <PDBx:pdbx_phasing_MAD_set id="ISO_3">
      <PDBx:R_cullis_acentric>0.658</PDBx:R_cullis_acentric>
      <PDBx:R_cullis_centric>0.500</PDBx:R_cullis_centric>
      <PDBx:d_res_high>2.00</PDBx:d_res_high>
      <PDBx:d_res_low>22.60</PDBx:d_res_low>
      <PDBx:reflns_acentric>5317</PDBx:reflns_acentric>
      <PDBx:reflns_centric>460</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_set>
   <PDBx:pdbx_phasing_MAD_set id="ANO_1">
      <PDBx:R_cullis_acentric>0.841</PDBx:R_cullis_acentric>
      <PDBx:R_cullis_centric>0.000</PDBx:R_cullis_centric>
      <PDBx:d_res_high>2.00</PDBx:d_res_high>
      <PDBx:d_res_low>22.60</PDBx:d_res_low>
      <PDBx:reflns_acentric>5278</PDBx:reflns_acentric>
      <PDBx:reflns_centric>0</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_set>
   <PDBx:pdbx_phasing_MAD_set id="ANO_2">
      <PDBx:R_cullis_acentric>0.649</PDBx:R_cullis_acentric>
      <PDBx:R_cullis_centric>0.000</PDBx:R_cullis_centric>
      <PDBx:d_res_high>2.00</PDBx:d_res_high>
      <PDBx:d_res_low>22.60</PDBx:d_res_low>
      <PDBx:reflns_acentric>5083</PDBx:reflns_acentric>
      <PDBx:reflns_centric>0</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_set>
   <PDBx:pdbx_phasing_MAD_set id="ANO_3">
      <PDBx:R_cullis_acentric>0.829</PDBx:R_cullis_acentric>
      <PDBx:R_cullis_centric>0.000</PDBx:R_cullis_centric>
      <PDBx:d_res_high>2.00</PDBx:d_res_high>
      <PDBx:d_res_low>22.60</PDBx:d_res_low>
      <PDBx:reflns_acentric>5329</PDBx:reflns_acentric>
      <PDBx:reflns_centric>0</PDBx:reflns_centric>
   </PDBx:pdbx_phasing_MAD_set>
</PDBx:pdbx_phasing_MAD_setCategory>

Complex Type Information

Model

PDBx:pdbx_phasing_MAD_set*
Children: PDBx:pdbx_phasing_MAD_set

Used By

Element PDBx:datablockType/PDBx:pdbx_phasing_MAD_setCategory

Source 

<xsd:complexType name="pdbx_phasing_MAD_setType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Record details about each phasing set: (Note: the phasing set is different from data set. for example: if there are three data sets, the inflection point (IP), the peak (PK) and the high remote (HR), the combination of the phasing set will be IP_iso, PK_iso (the isomorphous repleacement with HR as 'native'), IP_ano, PK_ano and HR_ano (the anomalous difference with itself). Therefore, there are five set used for phasing. Example 1 - three wavelengths <PDBx:pdbx_phasing_MAD_setCategory> <PDBx:pdbx_phasing_MAD_set id="ISO_1"> <PDBx:R_cullis_acentric>0.000</PDBx:R_cullis_acentric> <PDBx:R_cullis_centric>0.000</PDBx:R_cullis_centric> <PDBx:d_res_high>2.00</PDBx:d_res_high> <PDBx:d_res_low>22.60</PDBx:d_res_low> <PDBx:reflns_acentric>5387</PDBx:reflns_acentric> <PDBx:reflns_centric>471</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_set> <PDBx:pdbx_phasing_MAD_set id="ISO_2"> <PDBx:R_cullis_acentric>0.803</PDBx:R_cullis_acentric> <PDBx:R_cullis_centric>0.718</PDBx:R_cullis_centric> <PDBx:d_res_high>2.00</PDBx:d_res_high> <PDBx:d_res_low>22.60</PDBx:d_res_low> <PDBx:reflns_acentric>5365</PDBx:reflns_acentric> <PDBx:reflns_centric>469</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_set> <PDBx:pdbx_phasing_MAD_set id="ISO_3"> <PDBx:R_cullis_acentric>0.658</PDBx:R_cullis_acentric> <PDBx:R_cullis_centric>0.500</PDBx:R_cullis_centric> <PDBx:d_res_high>2.00</PDBx:d_res_high> <PDBx:d_res_low>22.60</PDBx:d_res_low> <PDBx:reflns_acentric>5317</PDBx:reflns_acentric> <PDBx:reflns_centric>460</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_set> <PDBx:pdbx_phasing_MAD_set id="ANO_1"> <PDBx:R_cullis_acentric>0.841</PDBx:R_cullis_acentric> <PDBx:R_cullis_centric>0.000</PDBx:R_cullis_centric> <PDBx:d_res_high>2.00</PDBx:d_res_high> <PDBx:d_res_low>22.60</PDBx:d_res_low> <PDBx:reflns_acentric>5278</PDBx:reflns_acentric> <PDBx:reflns_centric>0</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_set> <PDBx:pdbx_phasing_MAD_set id="ANO_2"> <PDBx:R_cullis_acentric>0.649</PDBx:R_cullis_acentric> <PDBx:R_cullis_centric>0.000</PDBx:R_cullis_centric> <PDBx:d_res_high>2.00</PDBx:d_res_high> <PDBx:d_res_low>22.60</PDBx:d_res_low> <PDBx:reflns_acentric>5083</PDBx:reflns_acentric> <PDBx:reflns_centric>0</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_set> <PDBx:pdbx_phasing_MAD_set id="ANO_3"> <PDBx:R_cullis_acentric>0.829</PDBx:R_cullis_acentric> <PDBx:R_cullis_centric>0.000</PDBx:R_cullis_centric> <PDBx:d_res_high>2.00</PDBx:d_res_high> <PDBx:d_res_low>22.60</PDBx:d_res_low> <PDBx:reflns_acentric>5329</PDBx:reflns_acentric> <PDBx:reflns_centric>0</PDBx:reflns_centric> </PDBx:pdbx_phasing_MAD_set> </PDBx:pdbx_phasing_MAD_setCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="pdbx_phasing_MAD_set" 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_set 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_set 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_set 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_set 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_set 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_set records r_kraut using centric data for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="d_res_high" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute d_res_high in category pdbx_phasing_MAD_set records the highest resolution for the phasing set.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="d_res_low" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute d_res_low in category pdbx_phasing_MAD_set records the lowerest resolution for phasing set.</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_set 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_set 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_set 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_set 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_set 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_set records lack of closure using centric data for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="number_of_sites" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute number_of_sites in category pdbx_phasing_MAD_set records the number of site refined for the phasing set.</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 power in category pdbx_phasing_MAD_set 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_set 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_set 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_set 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:integer">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">attribute reflns_acentric in category pdbx_phasing_MAD_set 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_set records the number of centric reflections for MAD phasing.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
        </xsd:all>
        <xsd:attribute name="id" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">attribute id in category pdbx_phasing_MAD_set records phase set name for MAD phasing.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>