Package org.rcsb.cif.model.generated
Class PdbxRefine
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.PdbxRefine
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- 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.
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Field Summary
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Fields inherited from class org.rcsb.cif.model.BaseCategory
isText, textFields
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Constructor Summary
Constructors Constructor Description PdbxRefine(String name)PdbxRefine(String name, int rowCount, Object[] encodedColumns)PdbxRefine(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description StrColumngetEntryId()This data item is a pointer to _entry.id in the ENTRY category.FloatColumngetFreeRErrorNoCutoff()Free R-value error(no cutoff)FloatColumngetFreeRFactor4sigCutoff()R free value (4 sigma cutoff).FloatColumngetFreeRFactorNoCutoff()Free R-value (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.FloatColumngetFreeRVal4sigCutoff()Free R-value (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.FloatColumngetFreeRValNoCutoff()Free R-value (no cutoff)FloatColumngetFreeRValTestSetCt4sigCutoff()Free R-value test set count (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.FloatColumngetFreeRValTestSetCtNoCutoff()Free R-value test set count (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.FloatColumngetFreeRValTestSetSizePerc4sigCutoff()Free R-value test set size (in percent, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.FloatColumngetFreeRValTestSetSizePercNoCutoff()Free R-value test set size (in percent, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.FloatColumngetNumberReflnsObs4sigCutoff()Total number of reflections (4 sigma cutoff).FloatColumngetNumberReflnsObsNoCutoff()Total number of reflections (no cutoff).StrColumngetPdbxRefineId()This data item uniquely identifies a refinement within an entry.FloatColumngetRFactorAll4sigCutoff()R-value (all reflections, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.FloatColumngetRFactorAllNoCutoff()R-value (all reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.FloatColumngetRFactorObs4sigCutoff()R-value (working set, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.FloatColumngetRFactorObsNoCutoff()R-value (working set reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.-
Methods inherited from class org.rcsb.cif.model.BaseCategory
getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined
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Methods inherited from class java.lang.Object
clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait
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Methods inherited from interface org.rcsb.cif.model.Category
columnNames, columns, get
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Method Detail
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getEntryId
public StrColumn getEntryId()
This data item is a pointer to _entry.id in the ENTRY category.- Returns:
- StrColumn
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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
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getRFactorAllNoCutoff
public FloatColumn getRFactorAllNoCutoff()
R-value (all reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getRFactorObsNoCutoff
public FloatColumn getRFactorObsNoCutoff()
R-value (working set reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getFreeRFactor4sigCutoff
public FloatColumn getFreeRFactor4sigCutoff()
R free value (4 sigma cutoff). Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getFreeRFactorNoCutoff
public FloatColumn getFreeRFactorNoCutoff()
Free R-value (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getFreeRErrorNoCutoff
public FloatColumn getFreeRErrorNoCutoff()
Free R-value error(no cutoff)- Returns:
- FloatColumn
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getFreeRValTestSetSizePercNoCutoff
public FloatColumn getFreeRValTestSetSizePercNoCutoff()
Free R-value test set size (in percent, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getFreeRValTestSetCtNoCutoff
public FloatColumn getFreeRValTestSetCtNoCutoff()
Free R-value test set count (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getNumberReflnsObsNoCutoff
public FloatColumn getNumberReflnsObsNoCutoff()
Total number of reflections (no cutoff). Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getRFactorAll4sigCutoff
public FloatColumn getRFactorAll4sigCutoff()
R-value (all reflections, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getRFactorObs4sigCutoff
public FloatColumn getRFactorObs4sigCutoff()
R-value (working set, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getFreeRVal4sigCutoff
public FloatColumn getFreeRVal4sigCutoff()
Free R-value (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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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
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getFreeRValTestSetCt4sigCutoff
public FloatColumn getFreeRValTestSetCt4sigCutoff()
Free R-value test set count (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getNumberReflnsObs4sigCutoff
public FloatColumn getNumberReflnsObs4sigCutoff()
Total number of reflections (4 sigma cutoff). Placeholder for PDB mapping of SHELXL refinement data.- Returns:
- FloatColumn
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getFreeRValNoCutoff
public FloatColumn getFreeRValNoCutoff()
Free R-value (no cutoff)- Returns:
- FloatColumn
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