Package org.rcsb.cif.schema.core

Class AtomTypeScat

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory
org.rcsb.cif.schema.core.AtomTypeScat
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class AtomTypeScat
extends DelegatingCategory.DelegatingCifCoreCategory
The CATEGORY of data items used to describe atomic scattering information used in crystallographic structure studies.

  • Constructor Details

  • Method Details

    • getCromerMannCoeffs

      public FloatColumn getCromerMannCoeffs()
      The set of Cromer-Mann coefficients for generating X-ray scattering factors. [ a1, b1, a2, b2, a3, b3, a4, b4, c] Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.4
      Returns:
      FloatColumn

    • getDispersion

      public StrColumn getDispersion()
      The anomalous dispersion scattering factor in its complex form for this atom type and radiation by _diffrn_radiation_wavelength.value
      Returns:
      StrColumn

    • getDispersionImagCu

      public FloatColumn getDispersionImagCu()
      The imaginary component of the anomalous dispersion scattering factors for this atom type and Cu K alpha radiation
      Returns:
      FloatColumn

    • getDispersionImagMo

      public FloatColumn getDispersionImagMo()
      The imaginary component of the anomalous dispersion scattering factors for this atom type and Mo K alpha radiation
      Returns:
      FloatColumn

    • getDispersionRealCu

      public FloatColumn getDispersionRealCu()
      The real component of the anomalous dispersion scattering factors for this atom type and Cu K alpha radiation
      Returns:
      FloatColumn

    • getDispersionRealMo

      public FloatColumn getDispersionRealMo()
      The real component of the anomalous dispersion scattering factors for this atom type and Mo K alpha radiation
      Returns:
      FloatColumn

    • getHiAngFoxC0

      public FloatColumn getHiAngFoxC0()
      The set of data items used to define Fox et al. coefficients for generation of high angle (s >2.0) X-ray scattering factors. Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.5
      Returns:
      FloatColumn

    • getHiAngFoxC1

      public FloatColumn getHiAngFoxC1()
      The set of data items used to define Fox et al. coefficients for generation of high angle (s >2.0) X-ray scattering factors. Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.5
      Returns:
      FloatColumn

    • getHiAngFoxC2

      public FloatColumn getHiAngFoxC2()
      The set of data items used to define Fox et al. coefficients for generation of high angle (s >2.0) X-ray scattering factors. Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.5
      Returns:
      FloatColumn

    • getHiAngFoxC3

      public FloatColumn getHiAngFoxC3()
      The set of data items used to define Fox et al. coefficients for generation of high angle (s >2.0) X-ray scattering factors. Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.5
      Returns:
      FloatColumn

    • getHiAngFoxCoeffs

      public FloatColumn getHiAngFoxCoeffs()
      The set of Fox et al. coefficients for generating high angle X-ray scattering factors. [ c0, c1, c2, c3 ] Ref: International Tables for Crystallography, Vol. C (1991) Table 6.1.1.5
      Returns:
      FloatColumn

    • getSymbol

      public StrColumn getSymbol()
      The identity of the atom specie(s) representing this atom type. See _atom_type.symbol for further details.
      Returns:
      StrColumn

    • getCromerMannA1

      public FloatColumn getCromerMannA1()
      The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5
      Returns:
      FloatColumn

    • getCromerMannA2

      public FloatColumn getCromerMannA2()
      The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5
      Returns:
      FloatColumn

    • getCromerMannA3

      public FloatColumn getCromerMannA3()
      The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5
      Returns:
      FloatColumn

    • getCromerMannA4

      public FloatColumn getCromerMannA4()
      The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5
      Returns:
      FloatColumn

    • getCromerMannB1

      public FloatColumn getCromerMannB1()
      The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5
      Returns:
      FloatColumn

    • getCromerMannB2

      public FloatColumn getCromerMannB2()
      The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5
      Returns:
      FloatColumn

    • getCromerMannB3

      public FloatColumn getCromerMannB3()
      The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5
      Returns:
      FloatColumn

    • getCromerMannB4

      public FloatColumn getCromerMannB4()
      The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5
      Returns:
      FloatColumn

    • getCromerMannC

      public FloatColumn getCromerMannC()
      The set of data items used to define Cromer-Mann coefficients for generation of X-ray scattering factors. Ref: International Tables for X-ray Crystallography, Vol. IV (1974) Table 2.2B or International Tables for Crystallography, Vol. C (1991) Tables 6.1.1.4 and 6.1.1.5
      Returns:
      FloatColumn

    • getDispersionImag

      public FloatColumn getDispersionImag()
      The imaginary component of the anomalous dispersion scattering factors for this atom type and radiation by _diffrn_radiation_wavelength.value
      Returns:
      FloatColumn

    • getDispersionReal

      public FloatColumn getDispersionReal()
      The real component of the anomalous dispersion scattering factors for this atom type and radiation by _diffrn_radiation_wavelength.value
      Returns:
      FloatColumn

    • getDispersionSource

      public StrColumn getDispersionSource()
      Reference to source of real and imaginary dispersion corrections for scattering factors used for this atom type.
      Returns:
      StrColumn

    • getLengthNeutron

      public FloatColumn getLengthNeutron()
      The bound coherent scattering length for the atom type at the isotopic composition used for the diffraction experiment.
      Returns:
      FloatColumn

    • getSource

      public StrColumn getSource()
      Reference to source of scattering factors used for this atom type.
      Returns:
      StrColumn

    • getVersusStolList

      public StrColumn getVersusStolList()
      List of scattering factors as a function of sin theta on lambda. List has the form [[<stol value 1> <scatfac 1>] [<stol value 2> <scatfac 2>] ....] in increments of 0.01, increasing from 0.0.
      Returns:
      StrColumn