Data items in the DIFFRN_ORIENT_MATRIX category record details about the orientation matrix used in the measurement of the diffraction data. Example 1 - based on CAD-4 diffractometer data obtained for Yb(S-C5H4N)2(THF)4. <PDBx:diffrn_orient_matrixCategory> <PDBx:diffrn_orient_matrix diffrn_id="set1"> <PDBx:UB11>-0.071479</PDBx:UB11> <PDBx:UB12>0.020208</PDBx:UB12> <PDBx:UB13>0.039076</PDBx:UB13> <PDBx:UB21>0.035372</PDBx:UB21> <PDBx:UB22>0.056209</PDBx:UB22> <PDBx:UB23>0.078324</PDBx:UB23> <PDBx:UB31>-0.007470</PDBx:UB31> <PDBx:UB32>0.067854</PDBx:UB32> <PDBx:UB33>-0.017832</PDBx:UB33> <PDBx:type> reciprocal axis matrix, multiplies hkl vector to generate diffractometer xyz vector and diffractometer angles</PDBx:type> </PDBx:diffrn_orient_matrix> </PDBx:diffrn_orient_matrixCategory> |
<xsd:complexType name="diffrn_orient_matrixType"> <xsd:annotation> <xsd:documentation xml:lang="en">Data items in the DIFFRN_ORIENT_MATRIX category record details about the orientation matrix used in the measurement of the diffraction data. Example 1 - based on CAD-4 diffractometer data obtained for Yb(S-C5H4N)2(THF)4. <PDBx:diffrn_orient_matrixCategory> <PDBx:diffrn_orient_matrix diffrn_id="set1"> <PDBx:UB11>-0.071479</PDBx:UB11> <PDBx:UB12>0.020208</PDBx:UB12> <PDBx:UB13>0.039076</PDBx:UB13> <PDBx:UB21>0.035372</PDBx:UB21> <PDBx:UB22>0.056209</PDBx:UB22> <PDBx:UB23>0.078324</PDBx:UB23> <PDBx:UB31>-0.007470</PDBx:UB31> <PDBx:UB32>0.067854</PDBx:UB32> <PDBx:UB33>-0.017832</PDBx:UB33> <PDBx:type> reciprocal axis matrix, multiplies hkl vector to generate diffractometer xyz vector and diffractometer angles</PDBx:type> </PDBx:diffrn_orient_matrix> </PDBx:diffrn_orient_matrixCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="diffrn_orient_matrix" minOccurs="0" maxOccurs="unbounded"> <xsd:complexType> <xsd:all> <xsd:element name="UB11" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The [1][1] element of the 3x3 matrix that defines the dimensions of the reciprocal cell and its orientation with respect to the local diffractometer axes. See also attribute type in category diffrn_orient_matrix.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="UB12" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The [1][2] element of the 3x3 matrix that defines the dimensions of the reciprocal cell and its orientation with respect to the local diffractometer axes. See also attribute type in category diffrn_orient_matrix.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="UB13" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The [1][3] element of the 3x3 matrix that defines the dimensions of the reciprocal cell and its orientation with respect to the local diffractometer axes. See also attribute type in category diffrn_orient_matrix.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="UB21" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The [2][1] element of the 3x3 matrix that defines the dimensions of the reciprocal cell and its orientation with respect to the local diffractometer axes. See also attribute type in category diffrn_orient_matrix.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="UB22" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The [2][2] element of the 3x3 matrix that defines the dimensions of the reciprocal cell and its orientation with respect to the local diffractometer axes. See also attribute type in category diffrn_orient_matrix.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="UB23" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The [2][3] element of the 3x3 matrix that defines the dimensions of the reciprocal cell and its orientation with respect to the local diffractometer axes. See also attribute type in category diffrn_orient_matrix.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="UB31" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The [3][1] element of the 3x3 matrix that defines the dimensions of the reciprocal cell and its orientation with respect to the local diffractometer axes. See also attribute type in category diffrn_orient_matrix.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="UB32" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The [3][2] element of the 3x3 matrix that defines the dimensions of the reciprocal cell and its orientation with respect to the local diffractometer axes. See also attribute type in category diffrn_orient_matrix.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="UB33" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The [3][3] element of the 3x3 matrix that defines the dimensions of the reciprocal cell and its orientation with respect to the local diffractometer axes. See also attribute type in category diffrn_orient_matrix.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="type" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">A description of the orientation matrix type and how it should be applied to define the orientation of the crystal precisely with respect to the diffractometer axes.</xsd:documentation> </xsd:annotation> </xsd:element> </xsd:all> <xsd:attribute name="diffrn_id" use="required" type="xsd:string"> <xsd:annotation> <xsd:documentation xml:lang="en">This data item is a pointer to attribute id in category diffrn in the DIFFRN category.</xsd:documentation> </xsd:annotation> </xsd:attribute> </xsd:complexType> </xsd:element> </xsd:sequence> </xsd:complexType> |