PDBx:phasing_set_reflnType

Data items in the PHASING_SET_REFLN category record the values
of the measured structure factors used in a phasing experiment.
This list may contain information from a number of different
data sets; attribute set_id in category phasing_set_refln indicates the data set
 to which a given record corresponds.

    Example 1 - based on laboratory records for the 15,15,32
                reflection of an Hg/Pt derivative of protein NS1.
<PDBx:phasing_set_reflnCategory>
   <PDBx:phasing_set_refln index_h="15" index_k="15" index_l="32" set_id="NS1-96">
      <PDBx:F_meas_au>181.79</PDBx:F_meas_au>
      <PDBx:F_meas_sigma_au>3.72</PDBx:F_meas_sigma_au>
   </PDBx:phasing_set_refln>
</PDBx:phasing_set_reflnCategory>

Complex Type Information

Model

Used By

Source

<xsd:complexType name="phasing_set_reflnType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the PHASING_SET_REFLN category record the values of the measured structure factors used in a phasing experiment. This list may contain information from a number of different data sets; attribute set_id in category phasing_set_refln indicates the data set to which a given record corresponds. Example 1 - based on laboratory records for the 15,15,32 reflection of an Hg/Pt derivative of protein NS1. <PDBx:phasing_set_reflnCategory> <PDBx:phasing_set_refln index_h="15" index_k="15" index_l="32" set_id="NS1-96"> <PDBx:F_meas_au>181.79</PDBx:F_meas_au> <PDBx:F_meas_sigma_au>3.72</PDBx:F_meas_sigma_au> </PDBx:phasing_set_refln> </PDBx:phasing_set_reflnCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="phasing_set_refln" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="F_meas" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The measured value of the structure factor for this reflection in this data set in electrons.</xsd:documentation>
            </xsd:annotation>
            <xsd:complexType>
              <xsd:simpleContent>
                <xsd:extension base="xsd:decimal">
                  <xsd:attribute fixed="electrons" name="units" type="xsd:string" use="optional"/>
                </xsd:extension>
              </xsd:simpleContent>
            </xsd:complexType>
          </xsd:element>
          <xsd:element name="F_meas_au" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The measured value of the structure factor for this reflection in this data set in arbitrary units.</xsd:documentation>
            </xsd:annotation>
            <xsd:complexType>
              <xsd:simpleContent>
                <xsd:extension base="xsd:decimal">
                  <xsd:attribute fixed="arbitrary" name="units" type="xsd:string" use="optional"/>
                </xsd:extension>
              </xsd:simpleContent>
            </xsd:complexType>
          </xsd:element>
          <xsd:element name="F_meas_sigma" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The standard uncertainty (estimated standard deviation) of attribute F_meas in category phasing_set_refln in electrons.</xsd:documentation>
            </xsd:annotation>
            <xsd:complexType>
              <xsd:simpleContent>
                <xsd:extension base="xsd:decimal">
                  <xsd:attribute fixed="electrons" name="units" type="xsd:string" use="optional"/>
                </xsd:extension>
              </xsd:simpleContent>
            </xsd:complexType>
          </xsd:element>
          <xsd:element name="F_meas_sigma_au" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The standard uncertainty (estimated standard deviation) of attribute F_meas_au in category phasing_set_refln in arbitrary units.</xsd:documentation>
            </xsd:annotation>
            <xsd:complexType>
              <xsd:simpleContent>
                <xsd:extension base="xsd:decimal">
                  <xsd:attribute fixed="arbitrary" name="units" type="xsd:string" use="optional"/>
                </xsd:extension>
              </xsd:simpleContent>
            </xsd:complexType>
          </xsd:element>
        </xsd:all>
        <xsd:attribute name="index_h" use="required" type="xsd:integer">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">Miller index h of this reflection in this data set.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="index_k" use="required" type="xsd:integer">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">Miller index k of this reflection in this data set.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="index_l" use="required" type="xsd:integer">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">Miller index l of this reflection in this data set.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
        <xsd:attribute name="set_id" use="required" type="xsd:string">
          <xsd:annotation>
            <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category phasing_set in the PHASING_SET category.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>