Class DiffrnRefln

  • 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.
    • Constructor Detail

      • DiffrnRefln

        public DiffrnRefln​(String name,
                           int rowCount,
                           Object[] encodedColumns)
      • DiffrnRefln

        public DiffrnRefln​(String name)
    • Method Detail

      • 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