Package org.rcsb.cif.schema.core

Class RefineDiff

java.lang.Object

org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory

org.rcsb.cif.schema.core.RefineDiff

All Implemented Interfaces:

Category

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

The CATEGORY of data items which specify the electron density limits in a difference Fourier map after the structure has been refined. The rms value is with respect to the arithmetic mean density, and is derived from summations over each grid point in the asymmetric unit of the cell.

Nested Class Summary

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

Category.EmptyCategory

Field Summary

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

parentBlock

Constructor Summary

Constructors

Constructor	Description
RefineDiff(CifCoreBlock parentBlock)

Method Summary

Modifier and Type	Method	Description
FloatColumn	getDensityMax()	Maximum density value in a difference Fourier map.
FloatColumn	getDensityMaxSu()	Standard Uncertainty of the Maximum density value in a difference Fourier map.
FloatColumn	getDensityMin()	Miniumum density value in a difference Fourier map.
FloatColumn	getDensityMinSu()	Standard Uncertainty of the Miniumum density value in a difference Fourier map.
FloatColumn	getDensityRms()	Root mean square density value in a difference Fourier map.
FloatColumn	getDensityRmsSu()	Standard Uncertainty of the Root mean square density value in a difference Fourier map.

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

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

RefineDiff

public RefineDiff(CifCoreBlock parentBlock)

Method Details

getDensityMax

public FloatColumn getDensityMax()

Maximum density value in a difference Fourier map.

Returns:

FloatColumn

getDensityMaxSu

public FloatColumn getDensityMaxSu()

Standard Uncertainty of the Maximum density value in a difference Fourier map.

Returns:

FloatColumn

getDensityMin

public FloatColumn getDensityMin()

Miniumum density value in a difference Fourier map.

Returns:

FloatColumn

getDensityMinSu

public FloatColumn getDensityMinSu()

Standard Uncertainty of the Miniumum density value in a difference Fourier map.

Returns:

FloatColumn

getDensityRms

public FloatColumn getDensityRms()

Root mean square density value in a difference Fourier map. This value is measured with respect to the arithmetic mean density and is derived from summations over each grid point in the asymmetric unit of the cell. This quantity is useful for assessing the significance of *_min and *_max values, and also for defining suitable contour levels.

Returns:

FloatColumn

getDensityRmsSu

public FloatColumn getDensityRmsSu()

Standard Uncertainty of the Root mean square density value in a difference Fourier map.

Returns:

FloatColumn