<xsd:element name="exptl" minOccurs="0" maxOccurs="unbounded">
<xsd:complexType>
<xsd:all>
<xsd:element name="absorpt_coefficient_mu" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">The absorption coefficient mu in reciprocal millimetres calculated from the atomic content of the cell, the density and the 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:element name="absorpt_correction_T_max" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">The maximum transmission factor for the crystal and radiation. The maximum and minimum transmission factors are also referred to as the absorption correction A or 1/A*.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:decimal">
<xsd:minInclusive value="0.0"/>
<xsd:maxInclusive value="1.0"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="absorpt_correction_T_min" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">The minimum transmission factor for the crystal and radiation. The maximum and minimum transmission factors are also referred to as the absorption correction A or 1/A*.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:decimal">
<xsd:minInclusive value="0.0"/>
<xsd:maxInclusive value="1.0"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="absorpt_correction_type" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">The absorption correction type and method. The value 'empirical' should NOT be used unless more detailed information is not available.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="analytical"/>
<xsd:enumeration value="cylinder"/>
<xsd:enumeration value="empirical"/>
<xsd:enumeration value="gaussian"/>
<xsd:enumeration value="integration"/>
<xsd:enumeration value="multi-scan"/>
<xsd:enumeration value="none"/>
<xsd:enumeration value="numerical"/>
<xsd:enumeration value="psi-scan"/>
<xsd:enumeration value="refdelf"/>
<xsd:enumeration value="sphere"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="absorpt_process_details" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Description of the absorption process applied to the intensities. A literature reference should be supplied for psi-scan techniques. Tompa analytical</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="crystals_number" minOccurs="0" maxOccurs="1" nillable="true">
<xsd:annotation>
<xsd:documentation xml:lang="en">The total number of crystals used in the measurement of intensities.</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:integer">
<xsd:minInclusive value="1"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:element>
<xsd:element name="details" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">Any special information about the experimental work prior to the intensity measurement. See also attribute preparation in category exptl_crystal.</xsd:documentation>
</xsd:annotation>
</xsd:element>
<xsd:element name="method_details" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string">
<xsd:annotation>
<xsd:documentation xml:lang="en">A description of special aspects of the experimental method. 29 structures minimized average structure</xsd:documentation>
</xsd:annotation>
</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:attribute name="method" use="required">
<xsd:annotation>
<xsd:documentation xml:lang="en">The method used in the experiment. X-RAY DIFFRACTION NEUTRON DIFFRACTION FIBER DIFFRACTION ELECTRON CRYSTALLOGRAPHY ELECTRON MICROSCOPY SOLUTION NMR SOLID-STATE NMR SOLUTION SCATTERING POWDER DIFFRACTION</xsd:documentation>
</xsd:annotation>
<xsd:simpleType>
<xsd:restriction base="xsd:string">
<xsd:enumeration value="X-RAY DIFFRACTION"/>
<xsd:enumeration value="NEUTRON DIFFRACTION"/>
<xsd:enumeration value="FIBER DIFFRACTION"/>
<xsd:enumeration value="ELECTRON CRYSTALLOGRAPHY"/>
<xsd:enumeration value="ELECTRON MICROSCOPY"/>
<xsd:enumeration value="SOLUTION NMR"/>
<xsd:enumeration value="SOLID-STATE NMR"/>
<xsd:enumeration value="SOLUTION SCATTERING"/>
<xsd:enumeration value="POWDER DIFFRACTION"/>
<xsd:enumeration value="INFRARED SPECTROSCOPY"/>
<xsd:enumeration value="EPR"/>
<xsd:enumeration value="FLUORESCENCE TRANSFER"/>
<xsd:enumeration value="THEORETICAL MODEL"/>
</xsd:restriction>
</xsd:simpleType>
</xsd:attribute>
</xsd:complexType>
</xsd:element> |