PDBx:refln_sys_absType

Data items in the REFLN_SYS_ABS category record details about
the reflection data that should be systematically absent,
given the designated space group.

    Example 1 - hypothetical example.
<PDBx:refln_sys_absCategory>
   <PDBx:refln_sys_abs index_h="0" index_k="3" index_l="0">
      <PDBx:I>28.32</PDBx:I>
      <PDBx:I_over_sigmaI>1.23</PDBx:I_over_sigmaI>
      <PDBx:sigmaI>22.95</PDBx:sigmaI>
   </PDBx:refln_sys_abs>
   <PDBx:refln_sys_abs index_h="0" index_k="5" index_l="0">
      <PDBx:I>14.11</PDBx:I>
      <PDBx:I_over_sigmaI>0.86</PDBx:I_over_sigmaI>
      <PDBx:sigmaI>16.38</PDBx:sigmaI>
   </PDBx:refln_sys_abs>
   <PDBx:refln_sys_abs index_h="0" index_k="7" index_l="0">
      <PDBx:I>114.81</PDBx:I>
      <PDBx:I_over_sigmaI>5.67</PDBx:I_over_sigmaI>
      <PDBx:sigmaI>20.22</PDBx:sigmaI>
   </PDBx:refln_sys_abs>
   <PDBx:refln_sys_abs index_h="0" index_k="9" index_l="0">
      <PDBx:I>32.99</PDBx:I>
      <PDBx:I_over_sigmaI>1.35</PDBx:I_over_sigmaI>
      <PDBx:sigmaI>24.51</PDBx:sigmaI>
   </PDBx:refln_sys_abs>
</PDBx:refln_sys_absCategory>

Complex Type Information

Model

Used By

Source

<xsd:complexType name="refln_sys_absType">
  <xsd:annotation>
    <xsd:documentation xml:lang="en">Data items in the REFLN_SYS_ABS category record details about the reflection data that should be systematically absent, given the designated space group. Example 1 - hypothetical example. <PDBx:refln_sys_absCategory> <PDBx:refln_sys_abs index_h="0" index_k="3" index_l="0"> <PDBx:I>28.32</PDBx:I> <PDBx:I_over_sigmaI>1.23</PDBx:I_over_sigmaI> <PDBx:sigmaI>22.95</PDBx:sigmaI> </PDBx:refln_sys_abs> <PDBx:refln_sys_abs index_h="0" index_k="5" index_l="0"> <PDBx:I>14.11</PDBx:I> <PDBx:I_over_sigmaI>0.86</PDBx:I_over_sigmaI> <PDBx:sigmaI>16.38</PDBx:sigmaI> </PDBx:refln_sys_abs> <PDBx:refln_sys_abs index_h="0" index_k="7" index_l="0"> <PDBx:I>114.81</PDBx:I> <PDBx:I_over_sigmaI>5.67</PDBx:I_over_sigmaI> <PDBx:sigmaI>20.22</PDBx:sigmaI> </PDBx:refln_sys_abs> <PDBx:refln_sys_abs index_h="0" index_k="9" index_l="0"> <PDBx:I>32.99</PDBx:I> <PDBx:I_over_sigmaI>1.35</PDBx:I_over_sigmaI> <PDBx:sigmaI>24.51</PDBx:sigmaI> </PDBx:refln_sys_abs> </PDBx:refln_sys_absCategory></xsd:documentation>
  </xsd:annotation>
  <xsd:sequence>
    <xsd:element name="refln_sys_abs" minOccurs="0" maxOccurs="unbounded">
      <xsd:complexType>
        <xsd:all>
          <xsd:element name="I" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The measured value of the intensity 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="I_over_sigmaI" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The ratio of _refln_sys_abs.I to _refln_sys_abs.sigmaI. Used to evaluate whether a reflection that should be systematically absent according to the designated space group is in fact absent.</xsd:documentation>
            </xsd:annotation>
          </xsd:element>
          <xsd:element name="sigmaI" minOccurs="0" maxOccurs="1" nillable="true">
            <xsd:annotation>
              <xsd:documentation xml:lang="en">The standard uncertainty (estimated standard deviation) of attribute I in category refln_sys_abs 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 the reflection. The values of the Miller indices in the REFLN_SYS_ABS category must correspond to the cell defined by cell lengths and cell angles in the CELL category.</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 the reflection. The values of the Miller indices in the REFLN_SYS_ABS category must correspond to the cell defined by cell lengths and cell angles in the CELL category.</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 the reflection. The values of the Miller indices in the REFLN_SYS_ABS category must correspond to the cell defined by cell lengths and cell angles in the CELL category.</xsd:documentation>
          </xsd:annotation>
        </xsd:attribute>
      </xsd:complexType>
    </xsd:element>
  </xsd:sequence>
</xsd:complexType>