Package org.rcsb.cif.model.generated
Class DiffrnRefln
- java.lang.Object
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- org.rcsb.cif.model.BaseCategory
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- org.rcsb.cif.model.generated.DiffrnRefln
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- All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.generator.SchemaGenerator") public class DiffrnRefln extends BaseCategory
Data items in the DIFFRN_REFLN category record details about the intensities in the diffraction data set identified by _diffrn_refln.diffrn_id. The DIFFRN_REFLN data items refer to individual intensity measurements and must be included in looped lists. The DIFFRN_REFLNS data items specify the parameters that apply to all intensity measurements in the particular diffraction data set identified by _diffrn_reflns.diffrn_id.
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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 DiffrnRefln(String name)DiffrnRefln(String name, int rowCount, Object[] encodedColumns)DiffrnRefln(String name, Map<String,Column> columns)
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Method Summary
All Methods Instance Methods Concrete Methods Modifier and Type Method Description FloatColumngetAngleChi()The diffractometer angle chi of a reflection in degrees.FloatColumngetAngleKappa()The diffractometer angle kappa of a reflection in degrees.FloatColumngetAngleOmega()The diffractometer angle omega of a reflection in degrees.FloatColumngetAnglePhi()The diffractometer angle phi of a reflection in degrees.FloatColumngetAnglePsi()The diffractometer angle psi of a reflection in degrees.FloatColumngetAngleTheta()The diffractometer angle theta of a reflection in degrees.StrColumngetAttenuatorCode()The code identifying the attenuator setting for this reflection.StrColumngetClassCode()The code identifying the class to which this reflection has been assigned.IntColumngetCountsBg1()The diffractometer counts for the measurement of the background before the peak.IntColumngetCountsBg2()The diffractometer counts for the measurement of the background after the peak.IntColumngetCountsNet()The diffractometer counts for the measurement of net counts after background removal.IntColumngetCountsPeak()The diffractometer counts for the measurement of counts for the peak scan or position.IntColumngetCountsTotal()The diffractometer counts for the measurement of total counts (background plus peak).FloatColumngetDetectSlitHoriz()Total slit aperture in degrees in the diffraction plane.FloatColumngetDetectSlitVert()Total slit aperture in degrees perpendicular to the diffraction plane.StrColumngetDiffrnId()This data item is a pointer to _diffrn.id in the DIFFRN category.FloatColumngetElapsedTime()Elapsed time in minutes from the start of the diffraction experiment to the measurement of this intensity.StrColumngetId()The value of _diffrn_refln.id must uniquely identify the reflection in the data set identified by the item _diffrn_refln.diffrn_id.IntColumngetIndexH()Miller index h of a reflection.IntColumngetIndexK()Miller index k of a reflection.IntColumngetIndexL()Miller index l of a reflection.FloatColumngetIntensityNet()Net intensity calculated from the diffraction counts after the attenuator and standard scales have been applied.FloatColumngetIntensitySigma()Standard uncertainty (estimated standard deviation) of the intensity calculated from the diffraction counts after the attenuator and standard scales have been applied.FloatColumngetIntensityU()Standard uncertainty of the net intensity calculated from the diffraction counts after the attenuator and standard scales have been applied.StrColumngetScaleGroupCode()The code identifying the scale applying to this reflection.StrColumngetScanMode()The code identifying the mode of scanning for measurements using a diffractometer.StrColumngetScanModeBackgd()The code identifying the mode of scanning a reflection to measure the background intensity.FloatColumngetScanRate()The rate of scanning a reflection in degrees per minute to measure the intensity.FloatColumngetScanTimeBackgd()The time spent measuring each background in seconds.FloatColumngetScanWidth()The scan width in degrees of the scan mode defined by the code _diffrn_refln.scan_mode.FloatColumngetSintOverLambda()The (sin theta)/lambda value in reciprocal angstroms for this reflection.StrColumngetStandardCode()The code identifying that this reflection was measured as a standard intensity.FloatColumngetWavelength()The mean wavelength in angstroms of the radiation used to measure the intensity of this reflection.StrColumngetWavelengthId()This data item is a pointer to _diffrn_radiation.wavelength_id in the DIFFRN_RADIATION category.-
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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getAngleChi
public FloatColumn getAngleChi()
The diffractometer angle chi of a reflection in degrees. This angle corresponds to the specified orientation matrix and the original measured cell before any subsequent cell transformations.- Returns:
- FloatColumn
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getAngleKappa
public FloatColumn getAngleKappa()
The diffractometer angle kappa of a reflection in degrees. This angle corresponds to the specified orientation matrix and the original measured cell before any subsequent cell transformations.- Returns:
- FloatColumn
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getAngleOmega
public FloatColumn getAngleOmega()
The diffractometer angle omega of a reflection in degrees. This angle corresponds to the specified orientation matrix and the original measured cell before any subsequent cell transformations.- Returns:
- FloatColumn
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getAnglePhi
public FloatColumn getAnglePhi()
The diffractometer angle phi of a reflection in degrees. This angle corresponds to the specified orientation matrix and the original measured cell before any subsequent cell transformations.- Returns:
- FloatColumn
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getAnglePsi
public FloatColumn getAnglePsi()
The diffractometer angle psi of a reflection in degrees. This angle corresponds to the specified orientation matrix and the original measured cell before any subsequent cell transformations.- Returns:
- FloatColumn
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getAngleTheta
public FloatColumn getAngleTheta()
The diffractometer angle theta of a reflection in degrees. This angle corresponds to the specified orientation matrix and the original measured cell before any subsequent cell transformations.- Returns:
- FloatColumn
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getAttenuatorCode
public StrColumn getAttenuatorCode()
The code identifying the attenuator setting for this reflection. This code must match one of the _diffrn_attenuator.code values.- Returns:
- StrColumn
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getCountsBg1
public IntColumn getCountsBg1()
The diffractometer counts for the measurement of the background before the peak.- Returns:
- IntColumn
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getCountsBg2
public IntColumn getCountsBg2()
The diffractometer counts for the measurement of the background after the peak.- Returns:
- IntColumn
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getCountsNet
public IntColumn getCountsNet()
The diffractometer counts for the measurement of net counts after background removal.- Returns:
- IntColumn
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getCountsPeak
public IntColumn getCountsPeak()
The diffractometer counts for the measurement of counts for the peak scan or position.- Returns:
- IntColumn
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getCountsTotal
public IntColumn getCountsTotal()
The diffractometer counts for the measurement of total counts (background plus peak).- Returns:
- IntColumn
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getDetectSlitHoriz
public FloatColumn getDetectSlitHoriz()
Total slit aperture in degrees in the diffraction plane.- Returns:
- FloatColumn
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getDetectSlitVert
public FloatColumn getDetectSlitVert()
Total slit aperture in degrees perpendicular to the diffraction plane.- Returns:
- FloatColumn
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getDiffrnId
public StrColumn getDiffrnId()
This data item is a pointer to _diffrn.id in the DIFFRN category.- Returns:
- StrColumn
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getElapsedTime
public FloatColumn getElapsedTime()
Elapsed time in minutes from the start of the diffraction experiment to the measurement of this intensity.- Returns:
- FloatColumn
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getId
public StrColumn getId()
The value of _diffrn_refln.id must uniquely identify the reflection in the data set identified by the item _diffrn_refln.diffrn_id. Note that this item need not be a number; it can be any unique identifier.- Returns:
- StrColumn
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getIndexH
public IntColumn getIndexH()
Miller index h of a reflection. The values of the Miller indices in the DIFFRN_REFLN category need not match the values of the Miller indices in the REFLN category if a transformation of the original measured cell has taken place. Details of the cell transformation are given in _diffrn_reflns.reduction_process. See also _diffrn_reflns.transf_matrix[][].- Returns:
- IntColumn
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getIndexK
public IntColumn getIndexK()
Miller index k of a reflection. The values of the Miller indices in the DIFFRN_REFLN category need not match the values of the Miller indices in the REFLN category if a transformation of the original measured cell has taken place. Details of the cell transformation are given in _diffrn_reflns.reduction_process. See also _diffrn_reflns.transf_matrix[][].- Returns:
- IntColumn
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getIndexL
public IntColumn getIndexL()
Miller index l of a reflection. The values of the Miller indices in the DIFFRN_REFLN category need not match the values of the Miller indices in the REFLN category if a transformation of the original measured cell has taken place. Details of the cell transformation are given in _diffrn_reflns.reduction_process. See also _diffrn_reflns.transf_matrix[][].- Returns:
- IntColumn
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getIntensityNet
public FloatColumn getIntensityNet()
Net intensity calculated from the diffraction counts after the attenuator and standard scales have been applied.- Returns:
- FloatColumn
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getIntensitySigma
public FloatColumn getIntensitySigma()
Standard uncertainty (estimated standard deviation) of the intensity calculated from the diffraction counts after the attenuator and standard scales have been applied.- Returns:
- FloatColumn
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getScaleGroupCode
public StrColumn getScaleGroupCode()
The code identifying the scale applying to this reflection. This data item is a pointer to _diffrn_scale_group.code in the DIFFRN_SCALE_GROUP category.- Returns:
- StrColumn
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getScanMode
public StrColumn getScanMode()
The code identifying the mode of scanning for measurements using a diffractometer. See _diffrn_refln.scan_width and _diffrn_refln.scan_mode_backgd.- Returns:
- StrColumn
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getScanModeBackgd
public StrColumn getScanModeBackgd()
The code identifying the mode of scanning a reflection to measure the background intensity.- Returns:
- StrColumn
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getScanRate
public FloatColumn getScanRate()
The rate of scanning a reflection in degrees per minute to measure the intensity.- Returns:
- FloatColumn
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getScanTimeBackgd
public FloatColumn getScanTimeBackgd()
The time spent measuring each background in seconds.- Returns:
- FloatColumn
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getScanWidth
public FloatColumn getScanWidth()
The scan width in degrees of the scan mode defined by the code _diffrn_refln.scan_mode.- Returns:
- FloatColumn
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getSintOverLambda
public FloatColumn getSintOverLambda()
The (sin theta)/lambda value in reciprocal angstroms for this reflection.- Returns:
- FloatColumn
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getStandardCode
public StrColumn getStandardCode()
The code identifying that this reflection was measured as a standard intensity. This data item is a pointer to _diffrn_standard_refln.code in the DIFFRN_STANDARD_REFLN category.- Returns:
- StrColumn
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getWavelength
public FloatColumn getWavelength()
The mean wavelength in angstroms of the radiation used to measure the intensity of this reflection. This is an important parameter for data collected using energy-dispersive detectors or the Laue method.- Returns:
- FloatColumn
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getWavelengthId
public StrColumn getWavelengthId()
This data item is a pointer to _diffrn_radiation.wavelength_id in the DIFFRN_RADIATION category.- Returns:
- StrColumn
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getClassCode
public StrColumn getClassCode()
The code identifying the class to which this reflection has been assigned. This code must match a value of _diffrn_reflns_class.code. Reflections may be grouped into classes for a variety of purposes. For example, for modulated structures each reflection class may be defined by the number m=sum|m~i~|, where the m~i~ are the integer coefficients that, in addition to h,k,l, index the corresponding diffraction vector in the basis defined for the reciprocal lattice.- Returns:
- StrColumn
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getIntensityU
public FloatColumn getIntensityU()
Standard uncertainty of the net intensity calculated from the diffraction counts after the attenuator and standard scales have been applied.- Returns:
- FloatColumn
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