Package org.rcsb.cif.schema.core

Class ExptlCrystal

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory
org.rcsb.cif.schema.core.ExptlCrystal
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class ExptlCrystal
extends DelegatingCategory.DelegatingCifCoreCategory
The CATEGORY of data items used to specify information about crystals used in the diffraction measurements.

  • Constructor Details

  • Method Details

    • getColour

      public StrColumn getColour()
      Colour description of a crystal as a list of the allowed exptl_crystal_appearance states for general, intensity and hue.
      Returns:
      StrColumn

    • getDensityDiffrn

      public FloatColumn getDensityDiffrn()
      Crystal density calculated from crystal unit cell and atomic content.
      Returns:
      FloatColumn

    • getDensityMeas

      public FloatColumn getDensityMeas()
      Crystal density measured using standard chemical and physical methods.
      Returns:
      FloatColumn

    • getDensityMeasGt

      public FloatColumn getDensityMeasGt()
      The value above which the density measured using standard chemical and physical methods lies. This item is used only when _exptl_crystal.density_meas cannot be employed. It is intended for use in reporting information in databases and archives which would be misleading if reported otherwise.
      Returns:
      FloatColumn

    • getDensityMeasLt

      public FloatColumn getDensityMeasLt()
      The value below which the density measured using standard chemical and physical methods lies. This item is used only when _exptl_crystal.density_meas cannot be employed. It is intended for use in reporting information in databases and archives which would be misleading if reported otherwise.
      Returns:
      FloatColumn

    • getDensityMeasTemp

      public FloatColumn getDensityMeasTemp()
      Temperature at which _exptl_crystal.density_meas was determined.
      Returns:
      FloatColumn

    • getDensityMeasTempGt

      public FloatColumn getDensityMeasTempGt()
      Temperature above which the measured density was determined. This item is used only when _exptl_crystal.density_meas_temp cannot be employed. It is intended for use in reporting values from databases which would be misleading if reported otherwise.
      Returns:
      FloatColumn

    • getDensityMeasTempLt

      public FloatColumn getDensityMeasTempLt()
      Temperature below which the measured density was determined. This item is used only when _exptl_crystal.density_meas_temp cannot be employed. It is intended for use in reporting values from databases which would be misleading if reported otherwise.
      Returns:
      FloatColumn

    • getDensityMethod

      public StrColumn getDensityMethod()
      Description of method used to measure _exptl_crystal.density_meas.
      Returns:
      StrColumn

    • getDescription

      public StrColumn getDescription()
      Description of the quality and habit of the crystal. The crystal dimensions should be provided using the exptl_crystal.size_* datanames.
      Returns:
      StrColumn

    • getF000

      public FloatColumn getF000()
      Number of electrons in the crystal unit cell contributing to F(000). It may contain dispersion contributions, and is calculated as F(000) = [ (sum f~r~)^2^ + (sum f~i~)^2^ ]^1/2^ f~r~ = real part of the scattering factors at theta = 0 f~i~ = imaginary part of the scattering factors at theta = 0 the sum is taken over each atom in the unit cell For X-rays, non-dispersive F(000) is a positive number and counts the effective number of electrons in the unit cell; for neutrons, non-dispersive F(000) (which may be negative) counts the total nuclear scattering power in the unit cell. See http://reference.iucr.org/dictionary/F(000)
      Returns:
      FloatColumn

    • getId

      public StrColumn getId()
      Code identifying a crystal.
      Returns:
      StrColumn

    • getPreparation

      public StrColumn getPreparation()
      Details of crystal growth and preparation of the crystals (e.g. mounting) prior to the intensity measurements.
      Returns:
      StrColumn

    • getPressureHistory

      public StrColumn getPressureHistory()
      Details concerning the pressure history of the crystals.
      Returns:
      StrColumn

    • getRecrystallizationMethod

      public StrColumn getRecrystallizationMethod()
      Method used to recrystallize the sample. Sufficient details should be given for the procedure to be repeated. Temperatures, solvents, flux or carrier gases with concentrations or pressures and ambient atmosphere details should be given.
      Returns:
      StrColumn

    • getSizeLength

      public FloatColumn getSizeLength()
      The length of needle/cylindrical crystals.
      Returns:
      FloatColumn

    • getSizeMax

      public FloatColumn getSizeMax()
      The maximum dimension of a crystal.
      Returns:
      FloatColumn

    • getSizeMid

      public FloatColumn getSizeMid()
      The median dimension of a crystal.
      Returns:
      FloatColumn

    • getSizeMin

      public FloatColumn getSizeMin()
      The minimum dimension of a crystal.
      Returns:
      FloatColumn

    • getSizeRad

      public FloatColumn getSizeRad()
      The radius of a spherical or cylindrical crystal.
      Returns:
      FloatColumn

    • getThermalHistory

      public StrColumn getThermalHistory()
      Details concerning the thermal history of the crystals.
      Returns:
      StrColumn

    • getDensityMeasEsd

      public FloatColumn getDensityMeasEsd()
      Standard Uncertainty of the Crystal density measured using standard chemical and physical methods.
      Returns:
      FloatColumn

    • getDensityMeasSu

      public FloatColumn getDensityMeasSu()
      Standard Uncertainty of the Crystal density measured using standard chemical and physical methods.
      Returns:
      FloatColumn

    • getDensityMeasTempEsd

      public FloatColumn getDensityMeasTempEsd()
      Standard Uncertainty of the Temperature at which _exptl_crystal.density_meas was determined.
      Returns:
      FloatColumn

    • getDensityMeasTempSu

      public FloatColumn getDensityMeasTempSu()
      Standard Uncertainty of the Temperature at which _exptl_crystal.density_meas was determined.
      Returns:
      FloatColumn

    • getColourLustre

      public StrColumn getColourLustre()
      Appearance of the crystal as prescribed state codes. Note that 'dull' and 'clear' should no longer be used.
      Returns:
      StrColumn

    • getGeneral

      public StrColumn getGeneral()
      Appearance of the crystal as prescribed state codes. Note that 'dull' and 'clear' should no longer be used.
      Returns:
      StrColumn

    • getColourPrimary

      public StrColumn getColourPrimary()
      Colour hue of the crystals as prescribed state codes.
      Returns:
      StrColumn

    • getHue

      public StrColumn getHue()
      Colour hue of the crystals as prescribed state codes.
      Returns:
      StrColumn

    • getColourModifier

      public StrColumn getColourModifier()
      Colour intensity of the crystal as prescribed state codes.
      Returns:
      StrColumn

    • getIntensity

      public StrColumn getIntensity()
      Colour intensity of the crystal as prescribed state codes.
      Returns:
      StrColumn