Package org.rcsb.cif.schema.core

Class ReflnsShell

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory
org.rcsb.cif.schema.core.ReflnsShell
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class ReflnsShell
extends DelegatingCategory.DelegatingCifCoreCategory
The CATEGORY of data items which specify the information about reflections divided into shells bounded by d resolution limits.

  • Constructor Details

  • Method Details

    • getDResHigh

      public FloatColumn getDResHigh()
      Highest resolution for the reflections in this shell. This corresponds to the smallest interpanar d value.
      Returns:
      FloatColumn

    • getDResLimits

      public FloatColumn getDResLimits()
      Resolution for the reflections in this shell stored as the list of lowest and highest values. This is the category key.
      Returns:
      FloatColumn

    • getDResLow

      public FloatColumn getDResLow()
      Lowest resolution for the reflections in this shell. This corresponds to the largest interpanar d value.
      Returns:
      FloatColumn

    • getNumberMeasuredAll

      public IntColumn getNumberMeasuredAll()
      Total count of reflections measured for this resolution shell.
      Returns:
      IntColumn

    • getNumberUniqueAll

      public IntColumn getNumberUniqueAll()
      Count of symmetry-unique reflections present in this reflection shell.
      Returns:
      IntColumn

    • getPercentPossibleAll

      public FloatColumn getPercentPossibleAll()
      Percentage of reflections present in this shell over that possible.
      Returns:
      FloatColumn

    • getRmergeFAll

      public FloatColumn getRmergeFAll()
      Rmerge(F) for all reflections in a given shell. sum~i~ ( sum~j~ | F~j~ - <F> | ) Rmerge(F) = -------------------------------- sum~i~ ( sum~j~ <F> ) F~j~ = the amplitude of the jth observation of reflection i <F> = the mean of the amplitudes of all observations of reflection i sum~i~ is taken over all reflections sum~j~ is taken over all observations of each reflection.
      Returns:
      FloatColumn

    • getRmergeIAll

      public FloatColumn getRmergeIAll()
      Rmerge(I) for all reflections in a given shell. sum~i~ ( sum~j~ | I~j~ - <I> | ) Rmerge(I) = -------------------------------- sum~i~ ( sum~j~ <I> ) I~j~ = the intensity of the jth observation of reflection i <I> = the mean of the intensities of all observations of reflection i sum~i~ is taken over all reflections sum~j~ is taken over all observations of each reflection.
      Returns:
      FloatColumn

    • getMeanIOverSigIAll

      public FloatColumn getMeanIOverSigIAll()
      Ratio of the mean intensity in a shell to the mean standard uncertainty of the intensities in the shell.
      Returns:
      FloatColumn

    • getMeanIOverUIAll

      public FloatColumn getMeanIOverUIAll()
      Ratio of the mean intensity in a shell to the mean standard uncertainty of the intensities in the shell.
      Returns:
      FloatColumn

    • getMeanIOverSuIAll

      public FloatColumn getMeanIOverSuIAll()
      Ratio of the mean intensity in a shell to the mean standard uncertainty of the intensities in the shell.
      Returns:
      FloatColumn

    • getMeanIOverSigIObs

      public FloatColumn getMeanIOverSigIObs()
      Ratio of the mean intensity of significantly intense reflections (see _reflns.threshold_expression) in this shell to the mean standard uncertainty of the intensities in the shell.
      Returns:
      FloatColumn

    • getMeanIOverSigIGt

      public FloatColumn getMeanIOverSigIGt()
      Ratio of the mean intensity of significantly intense reflections (see _reflns.threshold_expression) in this shell to the mean standard uncertainty of the intensities in the shell.
      Returns:
      FloatColumn

    • getMeanIOverUIGt

      public FloatColumn getMeanIOverUIGt()
      Ratio of the mean intensity of significantly intense reflections (see _reflns.threshold_expression) in this shell to the mean standard uncertainty of the intensities in the shell.
      Returns:
      FloatColumn

    • getMeanIOverSuIGt

      public FloatColumn getMeanIOverSuIGt()
      Ratio of the mean intensity of significantly intense reflections (see _reflns.threshold_expression) in this shell to the mean standard uncertainty of the intensities in the shell.
      Returns:
      FloatColumn

    • getNumberMeasuredObs

      public IntColumn getNumberMeasuredObs()
      Number of reflections measured for this resolution shell which are significantly intense (see _reflns.threshold_expression).
      Returns:
      IntColumn

    • getNumberMeasuredGt

      public IntColumn getNumberMeasuredGt()
      Number of reflections measured for this resolution shell which are significantly intense (see _reflns.threshold_expression).
      Returns:
      IntColumn

    • getNumberPossibleAll

      public IntColumn getNumberPossibleAll()
      Count of symmetry-unique reflections possible in this reflection shell.
      Returns:
      IntColumn

    • getNumberPossible

      public IntColumn getNumberPossible()
      Count of symmetry-unique reflections possible in this reflection shell.
      Returns:
      IntColumn

    • getNumberUniqueObs

      public IntColumn getNumberUniqueObs()
      Number of symmetry-unique reflections present in this reflection shell which are significantly intense (see _reflns.threshold_expression).
      Returns:
      IntColumn

    • getNumberUniqueGt

      public IntColumn getNumberUniqueGt()
      Number of symmetry-unique reflections present in this reflection shell which are significantly intense (see _reflns.threshold_expression).
      Returns:
      IntColumn

    • getPercentPossibleObs

      public FloatColumn getPercentPossibleObs()
      Percentage of reflections present in this shell which are significantly intense (see _reflns.threshold_expression), over that possible.
      Returns:
      FloatColumn

    • getPercentPossibleGt

      public FloatColumn getPercentPossibleGt()
      Percentage of reflections present in this shell which are significantly intense (see _reflns.threshold_expression), over that possible.
      Returns:
      FloatColumn

    • getRmergeFObs

      public FloatColumn getRmergeFObs()
      Rmerge(F) for reflections in a shell which are significantly intense (see _reflns.threshold_expression). The residual merge expression is shown in the _reflns_shell.Rmerge_F_all definition.
      Returns:
      FloatColumn

    • getRmergeFGt

      public FloatColumn getRmergeFGt()
      Rmerge(F) for reflections in a shell which are significantly intense (see _reflns.threshold_expression). The residual merge expression is shown in the _reflns_shell.Rmerge_F_all definition.
      Returns:
      FloatColumn

    • getRmergeIObs

      public FloatColumn getRmergeIObs()
      Rmerge(I) for reflections in a shell which are significantly intense (see _reflns.threshold_expression). The residual merge expression is shown in the _reflns_shell.Rmerge_I_all definition.
      Returns:
      FloatColumn

    • getRmergeIGt

      public FloatColumn getRmergeIGt()
      Rmerge(I) for reflections in a shell which are significantly intense (see _reflns.threshold_expression). The residual merge expression is shown in the _reflns_shell.Rmerge_I_all definition.
      Returns:
      FloatColumn