Package org.rcsb.cif.schema.mm

Class PdbxRefine

java.lang.Object

org.rcsb.cif.schema.DelegatingCategory

org.rcsb.cif.schema.mm.PdbxRefine

All Implemented Interfaces:

Category

@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class PdbxRefine
extends DelegatingCategory

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.

Nested Class Summary

Nested classes/interfaces inherited from class org.rcsb.cif.schema.DelegatingCategory

DelegatingCategory.DelegatingCifCoreCategory

Nested classes/interfaces inherited from interface org.rcsb.cif.model.Category

Category.EmptyCategory

Field Summary

Fields inherited from class org.rcsb.cif.schema.DelegatingCategory

delegate

Constructor Summary

Constructors

Constructor	Description
PdbxRefine(Category delegate)

Method Summary

Modifier and Type	Method	Description
protected Column	createDelegate(String columnName, Column column)
StrColumn	getEntryId()	This data item is a pointer to _entry.id in the ENTRY category.
FloatColumn	getFreeRErrorNoCutoff()	Free R-value error(no cutoff)
FloatColumn	getFreeRFactor4sigCutoff()	R free value (4 sigma cutoff).
FloatColumn	getFreeRFactorNoCutoff()	Free R-value (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
FloatColumn	getFreeRVal4sigCutoff()	Free R-value (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
FloatColumn	getFreeRValNoCutoff()	Free R-value (no cutoff)
FloatColumn	getFreeRValTestSetCt4sigCutoff()	Free R-value test set count (4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
FloatColumn	getFreeRValTestSetCtNoCutoff()	Free R-value test set count (no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
FloatColumn	getFreeRValTestSetSizePerc4sigCutoff()	Free R-value test set size (in percent, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
FloatColumn	getFreeRValTestSetSizePercNoCutoff()	Free R-value test set size (in percent, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
FloatColumn	getNumberReflnsObs4sigCutoff()	Total number of reflections (4 sigma cutoff).
FloatColumn	getNumberReflnsObsNoCutoff()	Total number of reflections (no cutoff).
StrColumn	getPdbxRefineId()	This data item uniquely identifies a refinement within an entry.
FloatColumn	getRFactorAll4sigCutoff()	R-value (all reflections, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
FloatColumn	getRFactorAllNoCutoff()	R-value (all reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.
FloatColumn	getRFactorObs4sigCutoff()	R-value (working set, 4 sigma cutoff) Placeholder for PDB mapping of SHELXL refinement data.
FloatColumn	getRFactorObsNoCutoff()	R-value (working set reflections, no cutoff) Placeholder for PDB mapping of SHELXL refinement data.

Methods inherited from class org.rcsb.cif.schema.DelegatingCategory

getCategoryName, getColumn, getColumns, getRowCount

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Methods inherited from interface org.rcsb.cif.model.Category

columns, getColumn, isDefined

Constructor Details

PdbxRefine

public PdbxRefine(Category delegate)

Method Details

createDelegate

protected Column createDelegate(String columnName, Column column)

Overrides:

createDelegate in class DelegatingCategory

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