Package org.rcsb.cif.schema.mm

Class DiffrnRefln

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.DiffrnRefln
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class DiffrnRefln
extends DelegatingCategory
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.

  • Constructor Details

  • Method Details

    • createDelegate

      protected Column createDelegate​(String columnName, Column column)
      Overrides:
      createDelegate in class DelegatingCategory

    • 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

    • 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

    • 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

    • 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

    • 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

    • 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

    • 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

    • getCountsBg1

      public IntColumn getCountsBg1()
      The diffractometer counts for the measurement of the background before the peak.
      Returns:
      IntColumn

    • getCountsBg2

      public IntColumn getCountsBg2()
      The diffractometer counts for the measurement of the background after the peak.
      Returns:
      IntColumn

    • getCountsNet

      public IntColumn getCountsNet()
      The diffractometer counts for the measurement of net counts after background removal.
      Returns:
      IntColumn

    • getCountsPeak

      public IntColumn getCountsPeak()
      The diffractometer counts for the measurement of counts for the peak scan or position.
      Returns:
      IntColumn

    • getCountsTotal

      public IntColumn getCountsTotal()
      The diffractometer counts for the measurement of total counts (background plus peak).
      Returns:
      IntColumn

    • getDetectSlitHoriz

      public FloatColumn getDetectSlitHoriz()
      Total slit aperture in degrees in the diffraction plane.
      Returns:
      FloatColumn

    • getDetectSlitVert

      public FloatColumn getDetectSlitVert()
      Total slit aperture in degrees perpendicular to the diffraction plane.
      Returns:
      FloatColumn

    • getDiffrnId

      public StrColumn getDiffrnId()
      This data item is a pointer to _diffrn.id in the DIFFRN category.
      Returns:
      StrColumn

    • getElapsedTime

      public FloatColumn getElapsedTime()
      Elapsed time in minutes from the start of the diffraction experiment to the measurement of this intensity.
      Returns:
      FloatColumn

    • 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

    • 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

    • 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

    • 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

    • getIntensityNet

      public FloatColumn getIntensityNet()
      Net intensity calculated from the diffraction counts after the attenuator and standard scales have been applied.
      Returns:
      FloatColumn

    • 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

    • 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

    • 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

    • getScanModeBackgd

      public StrColumn getScanModeBackgd()
      The code identifying the mode of scanning a reflection to measure the background intensity.
      Returns:
      StrColumn

    • getScanRate

      public FloatColumn getScanRate()
      The rate of scanning a reflection in degrees per minute to measure the intensity.
      Returns:
      FloatColumn

    • getScanTimeBackgd

      public FloatColumn getScanTimeBackgd()
      The time spent measuring each background in seconds.
      Returns:
      FloatColumn

    • getScanWidth

      public FloatColumn getScanWidth()
      The scan width in degrees of the scan mode defined by the code _diffrn_refln.scan_mode.
      Returns:
      FloatColumn

    • getSintOverLambda

      public FloatColumn getSintOverLambda()
      The (sin theta)/lambda value in reciprocal angstroms for this reflection.
      Returns:
      FloatColumn

    • 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

    • 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

    • getWavelengthId

      public StrColumn getWavelengthId()
      This data item is a pointer to _diffrn_radiation.wavelength_id in the DIFFRN_RADIATION category.
      Returns:
      StrColumn

    • 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

    • 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