Package org.rcsb.cif.model.generated

Class PdbxDiffrnReflnsShell

java.lang.Object

org.rcsb.cif.model.BaseCategory

org.rcsb.cif.model.generated.PdbxDiffrnReflnsShell

All Implemented Interfaces:

Category

@Generated("org.rcsb.cif.generator.SchemaGenerator")
public class PdbxDiffrnReflnsShell
extends BaseCategory

Data items in the DIFFRN_REFLNS_SHELL category record details about the reflection data set within shells of resolution.

Field Summary

Fields inherited from class org.rcsb.cif.model.BaseCategory

isText, textFields

Constructor Summary

Constructors

Constructor	Description
PdbxDiffrnReflnsShell(String name)
PdbxDiffrnReflnsShell(String name, int rowCount, Object[] encodedColumns)
PdbxDiffrnReflnsShell(String name, Map<String,Column> columns)

Method Summary

Modifier and Type	Method	Description
FloatColumn	getChiSquared()	The overall Chi-squared statistic for the resolution shell.
StrColumn	getDiffrnId()	This data item is a pointer to _diffrn.id in the DIFFRN category.
FloatColumn	getDResHigh()	The highest resolution for the interplanar spacings in the resolution shell.
FloatColumn	getDResLow()	The lowest resolution for the interplanar spacings in the resolution shell.
IntColumn	getNumberObs()	The number of observed reflections in the resolution shell.
FloatColumn	getPercentPossibleObs()	The percentage of geometrically possible reflections represented by reflections that satisfy the resolution limits established by _diffrn_reflns_shell.d_resolution_high and _diffrn_reflns_shell.d_resolution_low and the observation limit established by _diffrn_reflns.observed_criterion.
FloatColumn	getRedundancy()	The overall redundancy for the resolution shell.
IntColumn	getRejects()	The number of rejected reflections in the resolution shell
FloatColumn	getRmergeIObs()	The R factor for the reflections that satisfy the merging criteria for the resolution shell.
FloatColumn	getRsymValue()	The R factor for averaging the symmetry related reflections for the resolution shell.

Methods inherited from class org.rcsb.cif.model.BaseCategory

getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined

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

columnNames, columns, get

Constructor Detail

PdbxDiffrnReflnsShell

public PdbxDiffrnReflnsShell(String name,
                             Map<String,Column> columns)

PdbxDiffrnReflnsShell

public PdbxDiffrnReflnsShell(String name,
                             int rowCount,
                             Object[] encodedColumns)

PdbxDiffrnReflnsShell

public PdbxDiffrnReflnsShell(String name)

Method Detail

getDiffrnId

public StrColumn getDiffrnId()

This data item is a pointer to _diffrn.id in the DIFFRN category. This item distingush the different data sets

Returns:

StrColumn

getDResLow

public FloatColumn getDResLow()

The lowest resolution for the interplanar spacings in the resolution shell.

Returns:

FloatColumn

getDResHigh

public FloatColumn getDResHigh()

The highest resolution for the interplanar spacings in the resolution shell.

Returns:

FloatColumn

getPercentPossibleObs

public FloatColumn getPercentPossibleObs()

The percentage of geometrically possible reflections represented by reflections that satisfy the resolution limits established by _diffrn_reflns_shell.d_resolution_high and _diffrn_reflns_shell.d_resolution_low and the observation limit established by _diffrn_reflns.observed_criterion.

Returns:

FloatColumn

getRmergeIObs

public FloatColumn getRmergeIObs()

The R factor for the reflections that satisfy the merging criteria for the resolution shell.

Returns:

FloatColumn

getRsymValue

public FloatColumn getRsymValue()

The R factor for averaging the symmetry related reflections for the resolution shell.

Returns:

FloatColumn

getChiSquared

public FloatColumn getChiSquared()

The overall Chi-squared statistic for the resolution shell.

Returns:

FloatColumn

getRedundancy

public FloatColumn getRedundancy()

The overall redundancy for the resolution shell.

Returns:

FloatColumn

getRejects

public IntColumn getRejects()

The number of rejected reflections in the resolution shell

Returns:

IntColumn

getNumberObs

public IntColumn getNumberObs()

The number of observed reflections in the resolution shell.

Returns:

IntColumn