Class PdbxRefine

  • All Implemented Interfaces:
    Category

    @Generated("org.rcsb.cif.generator.SchemaGenerator")
    public class PdbxRefine
    extends BaseCategory
    Data items in the PDBX_REFINE category record details about additional structure refinement parameters which are needed to complete legacy REMARK 3 refinement templates in PDB format files.
    • Constructor Detail

      • PdbxRefine

        public PdbxRefine​(String name,
                          int rowCount,
                          Object[] encodedColumns)
      • PdbxRefine

        public PdbxRefine​(String name)
    • Method Detail

      • getEntryId

        public StrColumn getEntryId()
        This data item is a pointer to _entry.id in the ENTRY category.
        Returns:
        StrColumn
      • getPdbxRefineId

        public StrColumn getPdbxRefineId()
        This data item uniquely identifies a refinement within an entry. _pdbx_refine.pdbx_refine_id can be used to distinguish the results of joint refinements.
        Returns:
        StrColumn
      • getRFactorAllNoCutoff

        public FloatColumn getRFactorAllNoCutoff()
        R-value (all reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getRFactorObsNoCutoff

        public FloatColumn getRFactorObsNoCutoff()
        R-value (working set reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getFreeRFactor4sigCutoff

        public FloatColumn getFreeRFactor4sigCutoff()
        R free value (4 sigma cutoff). Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getFreeRFactorNoCutoff

        public FloatColumn getFreeRFactorNoCutoff()
        Free R-value (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getFreeRErrorNoCutoff

        public FloatColumn getFreeRErrorNoCutoff()
        Free R-value error(no cutoff)
        Returns:
        FloatColumn
      • getFreeRValTestSetSizePercNoCutoff

        public FloatColumn getFreeRValTestSetSizePercNoCutoff()
        Free R-value test set size (in percent, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getFreeRValTestSetCtNoCutoff

        public FloatColumn getFreeRValTestSetCtNoCutoff()
        Free R-value test set count (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getNumberReflnsObsNoCutoff

        public FloatColumn getNumberReflnsObsNoCutoff()
        Total number of reflections (no cutoff). Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getRFactorAll4sigCutoff

        public FloatColumn getRFactorAll4sigCutoff()
        R-value (all reflections, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getRFactorObs4sigCutoff

        public FloatColumn getRFactorObs4sigCutoff()
        R-value (working set, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getFreeRVal4sigCutoff

        public FloatColumn getFreeRVal4sigCutoff()
        Free R-value (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getFreeRValTestSetSizePerc4sigCutoff

        public FloatColumn getFreeRValTestSetSizePerc4sigCutoff()
        Free R-value test set size (in percent, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getFreeRValTestSetCt4sigCutoff

        public FloatColumn getFreeRValTestSetCt4sigCutoff()
        Free R-value test set count (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getNumberReflnsObs4sigCutoff

        public FloatColumn getNumberReflnsObs4sigCutoff()
        Total number of reflections (4 sigma cutoff). Placeholder for PDB mapping of SHELXL refinement data.
        Returns:
        FloatColumn
      • getFreeRValNoCutoff

        public FloatColumn getFreeRValNoCutoff()
        Free R-value (no cutoff)
        Returns:
        FloatColumn