PDBx:cell_measurement_reflnType

<xsd:complexType name="cell_measurement_reflnType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the CELL_MEASUREMENT_REFLN category record details about the reflections used to determine the crystallographic cell parameters. The CELL_MEASUREMENT_REFLN data items would in general be used only for diffractometer data. Example 1 - extracted from the CAD-4 listing of Rb~2~S~2~O~6~ at room temperature (unpublished). <PDBx:cell_measurement_reflnCategory> <PDBx:cell_measurement_refln index_h="-2" index_k="4" index_l="1"> <PDBx:theta>8.67</PDBx:theta> </PDBx:cell_measurement_refln> <PDBx:cell_measurement_refln index_h="0" index_k="3" index_l="2"> <PDBx:theta>9.45</PDBx:theta> </PDBx:cell_measurement_refln> <PDBx:cell_measurement_refln index_h="3" index_k="0" index_l="2"> <PDBx:theta>9.46</PDBx:theta> </PDBx:cell_measurement_refln> <PDBx:cell_measurement_refln index_h="-3" index_k="4" index_l="1"> <PDBx:theta>8.93</PDBx:theta> </PDBx:cell_measurement_refln> <PDBx:cell_measurement_refln index_h="-2" index_k="1" index_l="-2"> <PDBx:theta>7.53</PDBx:theta> </PDBx:cell_measurement_refln> <PDBx:cell_measurement_refln index_h="10" index_k="0" index_l="0"> <PDBx:theta>23.77</PDBx:theta> </PDBx:cell_measurement_refln> <PDBx:cell_measurement_refln index_h="0" index_k="10" index_l="0"> <PDBx:theta>23.78</PDBx:theta> </PDBx:cell_measurement_refln> <PDBx:cell_measurement_refln index_h="-5" index_k="4" index_l="1"> <PDBx:theta>11.14</PDBx:theta> </PDBx:cell_measurement_refln> </PDBx:cell_measurement_reflnCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="cell_measurement_refln" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="theta" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">Theta angle for a reflection used for measurement of the unit cell in degrees.</xsd:documentation>
            </xsd:annotation>
            <xsd:simpleType>
              <xsd:restriction base="xsd:decimal">
                <xsd:minInclusive value="0.0"/>
                <xsd:maxInclusive value="90.0"/>
              </xsd:restriction>
            </xsd:simpleType>
          </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 a reflection used for measurement of the unit cell.</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 a reflection used for measurement of the unit cell.</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 a reflection used for measurement of the unit cell.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>