PDBx:cell_measurement

Element Information

Model

ALL(PDBx:pressure{0,1} PDBx:pressure_esd{0,1} PDBx:radiation{0,1} PDBx:reflns_used{0,1} PDBx:temp{0,1} PDBx:temp_esd{0,1} PDBx:theta_max{0,1} PDBx:theta_min{0,1} PDBx:wavelength{0,1})
Children: PDBx:pressure, PDBx:pressure_esd, PDBx:radiation, PDBx:reflns_used, PDBx:temp, PDBx:temp_esd, PDBx:theta_max, PDBx:theta_min, PDBx:wavelength

Attributes

QName Type Fixed Default Use Inheritable Annotation
entry_id xsd:string required 
This data item is a pointer to attribute id in category entry in the ENTRY category.

Source 

<xsd:element name="cell_measurement" minOccurs="0" maxOccurs="unbounded">
  <xsd:complexType>
    <xsd:all>
      <xsd:element name="pressure" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The pressure in kilopascals at which the unit-cell parameters were measured (not the pressure at which the sample was synthesized).</xsd:documentation>
        </xsd:annotation>
        <xsd:complexType>
          <xsd:simpleContent>
            <xsd:extension base="xsd:decimal">
              <xsd:attribute fixed="kilopascals" name="units" type="xsd:string" use="optional"/>
            </xsd:extension>
          </xsd:simpleContent>
        </xsd:complexType>
      </xsd:element>
      <xsd:element name="pressure_esd" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The standard uncertainty (estimated standard deviation) of attribute pressure in category cell_measurement.</xsd:documentation>
        </xsd:annotation>
        <xsd:complexType>
          <xsd:simpleContent>
            <xsd:extension base="xsd:decimal">
              <xsd:attribute fixed="kilopascals" name="units" type="xsd:string" use="optional"/>
            </xsd:extension>
          </xsd:simpleContent>
        </xsd:complexType>
      </xsd:element>
      <xsd:element name="radiation" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Description of the radiation used to measure the unit-cell data. See also attribute wavelength in category cell_measurement. neutron Cu K\a synchrotron</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="reflns_used" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The total number of reflections used to determine the unit cell. These reflections may be specified as CELL_MEASUREMENT_REFLN data items.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="temp" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The temperature in kelvins at which the unit-cell parameters were measured (not the temperature of synthesis).</xsd:documentation>
        </xsd:annotation>
        <xsd:simpleType>
          <xsd:restriction base="xsd:decimal">
            <xsd:minInclusive value="0.0"/>
          </xsd:restriction>
        </xsd:simpleType>
      </xsd:element>
      <xsd:element name="temp_esd" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The standard uncertainty (estimated standard deviation) of attribute temp in category cell_measurement.</xsd:documentation>
        </xsd:annotation>
        <xsd:complexType>
          <xsd:simpleContent>
            <xsd:extension base="xsd:decimal">
              <xsd:attribute fixed="kelvins" name="units" type="xsd:string" use="optional"/>
            </xsd:extension>
          </xsd:simpleContent>
        </xsd:complexType>
      </xsd:element>
      <xsd:element name="theta_max" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The maximum theta angle of reflections used to measure 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:element name="theta_min" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The minimum theta angle of reflections used to measure 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:element name="wavelength" minOccurs="0" maxOccurs="1" nillable="true">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">The wavelength in angstroms of the radiation used to measure the unit cell. If this is not specified, the wavelength is assumed to be that specified in the category DIFFRN_RADIATION_WAVELENGTH.</xsd:documentation>
        </xsd:annotation>
        <xsd:simpleType>
          <xsd:restriction base="xsd:decimal">
            <xsd:minInclusive value="0.0"/>
          </xsd:restriction>
        </xsd:simpleType>
      </xsd:element>
    </xsd:all>
    <xsd:attribute name="entry_id" use="required" type="xsd:string">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category entry in the ENTRY category.</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
  </xsd:complexType>
</xsd:element>

Sample