Data items in the PDBX_PHASING_DM_SHELL category record details about density modification in resolution shell. Example 1 - density modification with shells <PDBx:pdbx_phasing_dm_shellCategory> <PDBx:pdbx_phasing_dm_shell d_res_high="7.73" d_res_low="100.00"> <PDBx:delta_phi_final>24.7</PDBx:delta_phi_final> <PDBx:fom>0.879</PDBx:fom> <PDBx:reflns>502</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="6.24" d_res_low="7.73"> <PDBx:delta_phi_final>29.2</PDBx:delta_phi_final> <PDBx:fom>0.857</PDBx:fom> <PDBx:reflns>506</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="5.50" d_res_low="6.24"> <PDBx:delta_phi_final>29.2</PDBx:delta_phi_final> <PDBx:fom>0.838</PDBx:fom> <PDBx:reflns>504</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="5.02" d_res_low="5.50"> <PDBx:delta_phi_final>25.3</PDBx:delta_phi_final> <PDBx:fom>0.851</PDBx:fom> <PDBx:reflns>502</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="4.67" d_res_low="5.02"> <PDBx:delta_phi_final>22.7</PDBx:delta_phi_final> <PDBx:fom>0.831</PDBx:fom> <PDBx:reflns>503</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> </PDBx:pdbx_phasing_dm_shellCategory> |
<xsd:complexType name="pdbx_phasing_dm_shellType"> <xsd:annotation> <xsd:documentation xml:lang="en">Data items in the PDBX_PHASING_DM_SHELL category record details about density modification in resolution shell. Example 1 - density modification with shells <PDBx:pdbx_phasing_dm_shellCategory> <PDBx:pdbx_phasing_dm_shell d_res_high="7.73" d_res_low="100.00"> <PDBx:delta_phi_final>24.7</PDBx:delta_phi_final> <PDBx:fom>0.879</PDBx:fom> <PDBx:reflns>502</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="6.24" d_res_low="7.73"> <PDBx:delta_phi_final>29.2</PDBx:delta_phi_final> <PDBx:fom>0.857</PDBx:fom> <PDBx:reflns>506</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="5.50" d_res_low="6.24"> <PDBx:delta_phi_final>29.2</PDBx:delta_phi_final> <PDBx:fom>0.838</PDBx:fom> <PDBx:reflns>504</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="5.02" d_res_low="5.50"> <PDBx:delta_phi_final>25.3</PDBx:delta_phi_final> <PDBx:fom>0.851</PDBx:fom> <PDBx:reflns>502</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> <PDBx:pdbx_phasing_dm_shell d_res_high="4.67" d_res_low="5.02"> <PDBx:delta_phi_final>22.7</PDBx:delta_phi_final> <PDBx:fom>0.831</PDBx:fom> <PDBx:reflns>503</PDBx:reflns> </PDBx:pdbx_phasing_dm_shell> </PDBx:pdbx_phasing_dm_shellCategory></xsd:documentation> </xsd:annotation> <xsd:sequence> <xsd:element name="pdbx_phasing_dm_shell" minOccurs="0" maxOccurs="unbounded"> <xsd:complexType> <xsd:all> <xsd:element name="delta_phi_final" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute delta_phi_final in category pdbx_phasing_dm_shell identifies phase difference after density modification with resolution shells.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="delta_phi_initial" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute delta_phi_initial in category pdbx_phasing_dm_shell identifies phase difference before density modification with resolution shells.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="fom" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute fom in category pdbx_phasing_dm_shell identifies the figure of merit for all the data with resolution shells.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="fom_acentric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute fom_acentric in category pdbx_phasing_dm_shell identifies the figure of merit for acentric data with resolution shells</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="fom_centric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute fom_centric in category pdbx_phasing_dm_shell identifies the figure of merit for centric data with resolution shells.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="reflns" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute reflns in category pdbx_phasing_dm_shell identifies the number of centric and acentric reflections with resolution shells.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="reflns_acentric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute reflns_acentric in category pdbx_phasing_dm_shell identifies the number of acentric reflections with resolution shells.</xsd:documentation> </xsd:annotation> </xsd:element> <xsd:element name="reflns_centric" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:integer"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute reflns_centric in category pdbx_phasing_dm_shell identifies the number of centric reflections with resolution shells.</xsd:documentation> </xsd:annotation> </xsd:element> </xsd:all> <xsd:attribute name="d_res_high" use="required" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute d_res_high in category pdbx_phasing_dm_shell identifies high resolution</xsd:documentation> </xsd:annotation> </xsd:attribute> <xsd:attribute name="d_res_low" use="required" type="xsd:decimal"> <xsd:annotation> <xsd:documentation xml:lang="en">The value of attribute d_res_low in category pdbx_phasing_dm_shell identifies low resolution</xsd:documentation> </xsd:annotation> </xsd:attribute> </xsd:complexType> </xsd:element> </xsd:sequence> </xsd:complexType> |