Package org.rcsb.cif.schema.mm

Class ExptlCrystal

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.ExptlCrystal
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class ExptlCrystal
extends DelegatingCategory
Data items in the EXPTL_CRYSTAL category record the results of experimental measurements on the crystal or crystals used, such as shape, size or density.

  • Constructor Details

  • Method Details

    • createDelegate

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

    • getColour

      public StrColumn getColour()
      The colour of the crystal.
      Returns:
      StrColumn

    • getDensityDiffrn

      public FloatColumn getDensityDiffrn()
      Density values calculated from the crystal cell and contents. The units are megagrams per cubic metre (grams per cubic centimetre).
      Returns:
      FloatColumn

    • getDensityMatthews

      public FloatColumn getDensityMatthews()
      The density of the crystal, expressed as the ratio of the volume of the asymmetric unit to the molecular mass of a monomer of the structure, in units of angstroms^3^ per dalton. Ref: Matthews, B. W. (1968). J. Mol. Biol. 33, 491-497.
      Returns:
      FloatColumn

    • getDensityMethod

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

    • getDensityPercentSol

      public FloatColumn getDensityPercentSol()
      Density value P calculated from the crystal cell and contents, expressed as per cent solvent. P = 1 - (1.23 N MMass) / V N = the number of molecules in the unit cell MMass = the molecular mass of each molecule (gm/mole) V = the volume of the unit cell (A^3^) 1.23 = a conversion factor evaluated as: (0.74 cm^3^/g) (10^24^ A^3^/cm^3^) -------------------------------------- (6.02*10^23^) molecules/mole where 0.74 is an assumed value for the partial specific volume of the molecule
      Returns:
      FloatColumn

    • getDescription

      public StrColumn getDescription()
      A description of the quality and habit of the crystal. The crystal dimensions should not normally be reported here; use instead the specific items in the EXPTL_CRYSTAL category relating to size for the gross dimensions of the crystal and data items in the EXPTL_CRYSTAL_FACE category to describe the relationship between individual faces.
      Returns:
      StrColumn

    • getF000

      public IntColumn getF000()
      The effective number of electrons in the crystal unit cell contributing to F(000). This may contain dispersion contributions and is calculated as F(000) = [ sum (f~r~^2^ + f~i~^2^) ]^1/2^ f~r~ = real part of the scattering factors at theta = 0 degree f~i~ = imaginary part of the scattering factors at theta = 0 degree the sum is taken over each atom in the unit cell
      Returns:
      IntColumn

    • getId

      public StrColumn getId()
      The value of _exptl_crystal.id must uniquely identify a record in the EXPTL_CRYSTAL list. Note that this item need not be a number; it can be any unique identifier.
      Returns:
      StrColumn

    • getPreparation

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

    • getSizeMax

      public FloatColumn getSizeMax()
      The maximum dimension of the crystal. This item may appear in a list with _exptl_crystal.id if multiple crystals are used in the experiment.
      Returns:
      FloatColumn

    • getSizeMid

      public FloatColumn getSizeMid()
      The medial dimension of the crystal. This item may appear in a list with _exptl_crystal.id if multiple crystals are used in the experiment.
      Returns:
      FloatColumn

    • getSizeMin

      public FloatColumn getSizeMin()
      The minimum dimension of the crystal. This item may appear in a list with _exptl_crystal.id if multiple crystals are used in the experiment.
      Returns:
      FloatColumn

    • getSizeRad

      public FloatColumn getSizeRad()
      The radius of the crystal, if the crystal is a sphere or a cylinder. This item may appear in a list with _exptl_crystal.id if multiple crystals are used in the experiment.
      Returns:
      FloatColumn

    • getColourLustre

      public StrColumn getColourLustre()
      The enumeration list of standardized names developed for the International Centre for Diffraction Data. The colour of a crystal is given by the combination of _exptl_crystal.colour_modifier with _exptl_crystal.colour_primary, as in 'dark-green' or 'bluish-violet', if necessary combined with _exptl_crystal.colour_lustre, as in 'metallic-green'.
      Returns:
      StrColumn

    • getColourModifier

      public StrColumn getColourModifier()
      The enumeration list of standardized names developed for the International Centre for Diffraction Data. The colour of a crystal is given by the combination of _exptl_crystal.colour_modifier with _exptl_crystal.colour_primary, as in 'dark-green' or 'bluish-violet', if necessary combined with _exptl_crystal.colour_lustre, as in 'metallic-green'.
      Returns:
      StrColumn

    • getColourPrimary

      public StrColumn getColourPrimary()
      The enumeration list of standardized names developed for the International Centre for Diffraction Data. The colour of a crystal is given by the combination of _exptl_crystal.colour_modifier with _exptl_crystal.colour_primary, as in 'dark-green' or 'bluish-violet', if necessary combined with _exptl_crystal.colour_lustre, as in 'metallic-green'.
      Returns:
      StrColumn

    • getDensityMeas

      public FloatColumn getDensityMeas()
      Density values measured using standard chemical and physical methods. The units are megagrams per cubic metre (grams per cubic centimetre).
      Returns:
      FloatColumn

    • getDensityMeasEsd

      public FloatColumn getDensityMeasEsd()
      The estimated standard deviation of _exptl_crystal.density_meas.
      Returns:
      FloatColumn

    • getDensityMeasGt

      public FloatColumn getDensityMeasGt()
      The value above which the density measured using standard chemical and physical methods lies. The units are megagrams per cubic metre (grams per cubic centimetre). _exptl_crystal.density_meas_gt and _exptl_crystal.density_meas_lt should not be used to report new experimental work, for which _exptl_crystal.density_meas should be used. These items are intended for use in reporting information in existing databases and archives which would be misleading if reported under _exptl_crystal.density_meas.
      Returns:
      FloatColumn

    • getDensityMeasLt

      public FloatColumn getDensityMeasLt()
      The value below which the density measured using standard chemical and physical methods lies. The units are megagrams per cubic metre (grams per cubic centimetre). _exptl_crystal.density_meas_gt and _exptl_crystal.density_meas_lt should not be used to report new experimental work, for which _exptl_crystal.density_meas should be used. These items are intended for use in reporting information in existing databases and archives which would be misleading if reported under _exptl_crystal.density_meas.
      Returns:
      FloatColumn

    • getDensityMeasTemp

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

    • getDensityMeasTempEsd

      public FloatColumn getDensityMeasTempEsd()
      The estimated standard deviation of _exptl_crystal.density_meas_temp.
      Returns:
      FloatColumn

    • getDensityMeasTempGt

      public FloatColumn getDensityMeasTempGt()
      Temperature in kelvins above which _exptl_crystal.density_meas was determined. _exptl_crystal.density_meas_temp_gt and _exptl_crystal.density_meas_temp_lt should not be used for reporting new work, for which the correct temperature of measurement should be given. These items are intended for use in reporting information stored in databases or archives which would be misleading if reported under _exptl_crystal.density_meas_temp.
      Returns:
      FloatColumn

    • getDensityMeasTempLt

      public FloatColumn getDensityMeasTempLt()
      Temperature in kelvins below which _exptl_crystal.density_meas was determined. _exptl_crystal.density_meas_temp_gt and _exptl_crystal.density_meas_temp_lt should not be used for reporting new work, for which the correct temperature of measurement should be given. These items are intended for use in reporting information stored in databases or archives which would be misleading if reported under _exptl_crystal.density_meas_temp.
      Returns:
      FloatColumn

    • getPdbxCrystalImageUrl

      public StrColumn getPdbxCrystalImageUrl()
      The URL for an a file containing the image of crystal.
      Returns:
      StrColumn

    • getPdbxCrystalImageFormat

      public StrColumn getPdbxCrystalImageFormat()
      The image format for the file containing the image of crystal specified as an RFC2045/RFC2046 mime type.
      Returns:
      StrColumn

    • getPdbxMosaicity

      public FloatColumn getPdbxMosaicity()
      The of the distribution of mis-orientation angles specified in degrees of all the unit cells in the crystal. Lower mosaicity indicates better ordered crystals.
      Returns:
      FloatColumn

    • getPdbxMosaicityEsd

      public FloatColumn getPdbxMosaicityEsd()
      The uncertainty in the mosaicity estimate for the crystal.
      Returns:
      FloatColumn

    • getPdbxCrystalImage

      public StrColumn getPdbxCrystalImage()
      A code to indicate that a crystal image is available for this crystal.
      Returns:
      StrColumn

    • getPdbxX_rayImage

      public StrColumn getPdbxX_rayImage()
      A code to indicate that an x-ray image is available for this crystal.
      Returns:
      StrColumn

    • getPdbxX_rayImageType

      public StrColumn getPdbxX_rayImageType()
      A description of the type of x-ray image for this crystal.
      Returns:
      StrColumn

    • getPdbxCrystalDiffrnLimit

      public FloatColumn getPdbxCrystalDiffrnLimit()
      The measured diffraction limit for this crystal.
      Returns:
      FloatColumn

    • getPdbxCrystalDiffrnLifetime

      public FloatColumn getPdbxCrystalDiffrnLifetime()
      The measured diffraction limit for this crystal.
      Returns:
      FloatColumn

    • getPdbxCrystalDirection1

      public FloatColumn getPdbxCrystalDirection1()
      The crystal size along the first measured direction in millimeters.
      Returns:
      FloatColumn

    • getPdbxCrystalDirection2

      public FloatColumn getPdbxCrystalDirection2()
      The crystal size along the second measured direction in millimeters.
      Returns:
      FloatColumn

    • getPdbxCrystalDirection3

      public FloatColumn getPdbxCrystalDirection3()
      The crystal size along the third measured direction in millimeters.
      Returns:
      FloatColumn