PDBx:pdbx_refine

Element Information

Model

ALL(PDBx:R_factor_all_4sig_cutoff{0,1} PDBx:R_factor_all_no_cutoff{0,1} PDBx:R_factor_obs_4sig_cutoff{0,1} PDBx:R_factor_obs_no_cutoff{0,1} PDBx:free_R_error_no_cutoff{0,1} PDBx:free_R_factor_4sig_cutoff{0,1} PDBx:free_R_factor_no_cutoff{0,1} PDBx:free_R_val_4sig_cutoff{0,1} PDBx:free_R_val_test_set_ct_4sig_cutoff{0,1} PDBx:free_R_val_test_set_ct_no_cutoff{0,1} PDBx:free_R_val_test_set_size_perc_4sig_cutoff{0,1} PDBx:free_R_val_test_set_size_perc_no_cutoff{0,1} PDBx:number_reflns_obs_4sig_cutoff{0,1} PDBx:number_reflns_obs_no_cutoff{0,1})
Children: PDBx:R_factor_all_4sig_cutoff, PDBx:R_factor_all_no_cutoff, PDBx:R_factor_obs_4sig_cutoff, PDBx:R_factor_obs_no_cutoff, PDBx:free_R_error_no_cutoff, PDBx:free_R_factor_4sig_cutoff, PDBx:free_R_factor_no_cutoff, PDBx:free_R_val_4sig_cutoff, PDBx:free_R_val_test_set_ct_4sig_cutoff, PDBx:free_R_val_test_set_ct_no_cutoff, PDBx:free_R_val_test_set_size_perc_4sig_cutoff, PDBx:free_R_val_test_set_size_perc_no_cutoff, PDBx:number_reflns_obs_4sig_cutoff, PDBx:number_reflns_obs_no_cutoff

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.
pdbx_refine_id xsd:string required 
This data item uniquely identifies a refinement within an entry.
attribute pdbx_refine_id in category pdbx_refine can be used to distinguish the results
 of joint refinements.

Source 

<xsd:element name="pdbx_refine" minOccurs="0" maxOccurs="unbounded">
  <xsd:complexType>
    <xsd:all>
      <xsd:element name="R_factor_all_4sig_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">R-value (all reflections, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data. 0.174</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="R_factor_all_no_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">R-value (all reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="R_factor_obs_4sig_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">R-value (working set, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data. 0.169</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="R_factor_obs_no_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">R-value (working set reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="free_R_error_no_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Free R-value error(no cutoff)</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="free_R_factor_4sig_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">R free value (4 sigma cutoff). Placeholder for PDB mapping of SHELXL refinement data. 0.216</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="free_R_factor_no_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Free R-value (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="free_R_val_4sig_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Free R-value (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="free_R_val_test_set_ct_4sig_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Free R-value test set count (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data. 164</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="free_R_val_test_set_ct_no_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Free R-value test set count (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="free_R_val_test_set_size_perc_4sig_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Free R-value test set size (in percent, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data. 1.29</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="free_R_val_test_set_size_perc_no_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Free R-value test set size (in percent, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="number_reflns_obs_4sig_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Total number of reflections (4 sigma cutoff). Placeholder for PDB mapping of SHELXL refinement data. 1263</xsd:documentation>
        </xsd:annotation>
      </xsd:element>
      <xsd:element name="number_reflns_obs_no_cutoff" minOccurs="0" maxOccurs="1" nillable="true" type="xsd:decimal">
        <xsd:annotation>
          <xsd:documentation xml:lang="en">Total number of reflections (no cutoff). Placeholder for PDB mapping of SHELXL refinement data.</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="pdbx_refine_id" use="required" type="xsd:string">
      <xsd:annotation>
        <xsd:documentation xml:lang="en">This data item uniquely identifies a refinement within an entry. attribute pdbx_refine_id in category pdbx_refine can be used to distinguish the results of joint refinements.</xsd:documentation>
      </xsd:annotation>
    </xsd:attribute>
  </xsd:complexType>
</xsd:element>

Sample