Package org.rcsb.cif.schema.core

Class DiffrnReflns

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory
org.rcsb.cif.schema.core.DiffrnReflns
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class DiffrnReflns
extends DelegatingCategory.DelegatingCifCoreCategory
The CATEGORY of data items which specify the overall reflection measurement information.

  • Constructor Details

  • Method Details

    • getAvREquivalents

      public FloatColumn getAvREquivalents()
      The residual [sum av|del(I)| / sum |av(I)|] for symmetry-equivalent reflections used to calculate the average intensity av(I). The av|del(I)| term is the average absolute difference between av(I) and the individual symmetry-equivalent intensities.
      Returns:
      FloatColumn

    • getLaueMeasuredFractionFull

      public FloatColumn getLaueMeasuredFractionFull()
      Fraction of Laue group unique reflections (symmetry-independent in the Laue group) measured out to the resolution given in _diffrn_reflns.resolution_full or _diffrn_reflns.theta_full. The Laue group always contains a centre of symmetry so that the reflection h,k,l is always equivalent to the reflection -h,-k,-l even in space groups without a centre of symmetry. This number should not be less than 0.95, since it represents the fraction of reflections measured in the part of the diffraction pattern that is essentially complete.
      Returns:
      FloatColumn

    • getLaueMeasuredFractionMax

      public FloatColumn getLaueMeasuredFractionMax()
      Fraction of Laue-group unique reflections (symmetry-independent in the Laue group) measured out to the resolution given in _diffrn_reflns.resolution_max or _diffrn_reflns.theta_max. The Laue group always contains a centre of symmetry so that the reflection h,k,l is always equivalent to the reflection -h,-k,-l even in space groups without a centre of symmetry.
      Returns:
      FloatColumn

    • getLimitHMax

      public IntColumn getLimitHMax()
      The index of a reciprocal space vector.
      Returns:
      IntColumn

    • getLimitHMin

      public IntColumn getLimitHMin()
      The index of a reciprocal space vector.
      Returns:
      IntColumn

    • getLimitKMax

      public IntColumn getLimitKMax()
      The index of a reciprocal space vector.
      Returns:
      IntColumn

    • getLimitKMin

      public IntColumn getLimitKMin()
      The index of a reciprocal space vector.
      Returns:
      IntColumn

    • getLimitLMax

      public IntColumn getLimitLMax()
      The index of a reciprocal space vector.
      Returns:
      IntColumn

    • getLimitLMin

      public IntColumn getLimitLMin()
      The index of a reciprocal space vector.
      Returns:
      IntColumn

    • getLimitMax

      public FloatColumn getLimitMax()
      Maximum Miller indices of measured diffraction reflections.
      Returns:
      FloatColumn

    • getLimitMin

      public FloatColumn getLimitMin()
      Minimum Miller indices of meas.ued diffraction reflections.
      Returns:
      FloatColumn

    • getNumber

      public IntColumn getNumber()
      Total number of measured intensities, excluding reflections that are classed as systematically absent arising from translational symmetry in the crystal unit cell.
      Returns:
      IntColumn

    • getPointMeasuredFractionFull

      public FloatColumn getPointMeasuredFractionFull()
      Fraction of crystal point-group unique reflections (i.e. symmetry-independent in the crystal point group) measured out to the resolution given in _diffrn_reflns.resolution_full or _diffrn_reflns.theta_full. For space groups that do not contain a centre of symmetry the reflections h,k,l and -h,-k,-l are independent. This number should not be less than 0.95, since it represents the fraction of reflections measured in the part of the diffraction pattern that is essentially complete.
      Returns:
      FloatColumn

    • getPointMeasuredFractionMax

      public FloatColumn getPointMeasuredFractionMax()
      Fraction of crystal point-group unique reflections (i.e. symmetry-independent in the crystal point group) measured out to the resolution given in _diffrn_reflns.resolution_max or _diffrn_reflns.theta_max. For space groups that do not contain a centre of symmetry the reflections h,k,l and -h,-k,-l are independent.
      Returns:
      FloatColumn

    • getReductionProcess

      public StrColumn getReductionProcess()
      How intensities were reduced to structure-factor magnitudes.
      Returns:
      StrColumn

    • getResolutionFull

      public FloatColumn getResolutionFull()
      The resolution at which the measured reflection count is close to complete. The fraction of unique reflections measured out to this angle is given by _diffrn.measured_fraction_theta_full.
      Returns:
      FloatColumn

    • getResolutionMax

      public FloatColumn getResolutionMax()
      Maximum resolution of the measured diffraction pattern. The fraction of unique reflections measured out to this angle is given by _diffrn.measured_fraction_theta_max.
      Returns:
      FloatColumn

    • getThetaFull

      public FloatColumn getThetaFull()
      Theta angle at which the count of measured reflections is almost complete. The fraction of unique reflections measured out to this angle is given by _diffrn.measured_fraction_theta_full.
      Returns:
      FloatColumn

    • getThetaMax

      public FloatColumn getThetaMax()
      Maximum theta angle of the measured reflections.
      Returns:
      FloatColumn

    • getThetaMin

      public FloatColumn getThetaMin()
      Minimum theta angle of the measured reflections.
      Returns:
      FloatColumn

    • getAvUnetI_netI

      public FloatColumn getAvUnetI_netI()
      Recorded [sum |su(netI)| / sum |netI|] for all measured reflections.
      Returns:
      FloatColumn

    • getAvSigmaIOverNetI

      public FloatColumn getAvSigmaIOverNetI()
      Recorded [sum |su(netI)| / sum |netI|] for all measured reflections.
      Returns:
      FloatColumn

    • getAvSunetIOverNetI

      public FloatColumn getAvSunetIOverNetI()
      Recorded [sum |su(netI)| / sum |netI|] for all measured reflections.
      Returns:
      FloatColumn

    • getTransfMatrix11

      public FloatColumn getTransfMatrix11()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • get_11

      public FloatColumn get_11()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • getTransfMatrix12

      public FloatColumn getTransfMatrix12()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • get_12

      public FloatColumn get_12()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • getTransfMatrix13

      public FloatColumn getTransfMatrix13()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • get_13

      public FloatColumn get_13()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • getTransfMatrix21

      public FloatColumn getTransfMatrix21()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • get_21

      public FloatColumn get_21()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • getTransfMatrix22

      public FloatColumn getTransfMatrix22()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • get_22

      public FloatColumn get_22()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • getTransfMatrix23

      public FloatColumn getTransfMatrix23()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • get_23

      public FloatColumn get_23()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • getTransfMatrix31

      public FloatColumn getTransfMatrix31()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • get_31

      public FloatColumn get_31()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • getTransfMatrix32

      public FloatColumn getTransfMatrix32()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • get_32

      public FloatColumn get_32()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • getTransfMatrix33

      public FloatColumn getTransfMatrix33()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn

    • get_33

      public FloatColumn get_33()
      The set of data items which specify the elements of the matrix used to transform the reflection indices _diffrn_refln.hkl into _refln.hkl.
      Returns:
      FloatColumn