Package org.rcsb.cif.schema.mm

Class PhasingMIR

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.PhasingMIR
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class PhasingMIR
extends DelegatingCategory
Data items in the PHASING_MIR category record details about the phasing of the structure where methods involving isomorphous replacement are involved. All isomorphous-replacement-based techniques are covered by this category, including single isomorphous replacement (SIR), multiple isomorphous replacement (MIR) and single or multiple isomorphous replacement plus anomalous scattering (SIRAS, MIRAS).

  • Constructor Details

  • Method Details

    • createDelegate

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

    • getDetails

      public StrColumn getDetails()
      A description of special aspects of the isomorphous-replacement phasing.
      Returns:
      StrColumn

    • getDResHigh

      public FloatColumn getDResHigh()
      The lowest value in angstroms for the interplanar spacings for the reflection data used for the native data set. This is called the highest resolution.
      Returns:
      FloatColumn

    • getDResLow

      public FloatColumn getDResLow()
      The highest value in angstroms for the interplanar spacings for the reflection data used for the native data set. This is called the lowest resolution.
      Returns:
      FloatColumn

    • getEntryId

      public StrColumn getEntryId()
      This data item is a pointer to _entry.id in the ENTRY category.
      Returns:
      StrColumn

    • getFOM

      public FloatColumn getFOM()
      The mean value of the figure of merit m for all reflections phased in the native data set. int P~alpha~ exp(i*alpha) dalpha m = -------------------------------- int P~alpha~ dalpha P~a~ = the probability that the phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi.
      Returns:
      FloatColumn

    • getFOMAcentric

      public FloatColumn getFOMAcentric()
      The mean value of the figure of merit m for the acentric reflections phased in the native data set. int P~alpha~ exp(i*alpha) dalpha m = -------------------------------- int P~alpha~ dalpha P~a~ = the probability that the phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi.
      Returns:
      FloatColumn

    • getFOMCentric

      public FloatColumn getFOMCentric()
      The mean value of the figure of merit m for the centric reflections phased in the native data set. int P~alpha~ exp(i*alpha) dalpha m = -------------------------------- int P~alpha~ dalpha P~a~ = the probability that the phase angle a is correct the integral is taken over the range alpha = 0 to 2 pi.
      Returns:
      FloatColumn

    • getMethod

      public StrColumn getMethod()
      A description of the MIR phasing method applied to phase this structure. Note that this is not the computer program used, which is described in the SOFTWARE category, but rather the method itself. This data item should be used to describe significant methodological options used within the MIR phasing program.
      Returns:
      StrColumn

    • getReflns

      public IntColumn getReflns()
      The total number of reflections phased in the native data set.
      Returns:
      IntColumn

    • getReflnsAcentric

      public IntColumn getReflnsAcentric()
      The number of acentric reflections phased in the native data set.
      Returns:
      IntColumn

    • getReflnsCentric

      public IntColumn getReflnsCentric()
      The number of centric reflections phased in the native data set.
      Returns:
      IntColumn

    • getReflnsCriterion

      public StrColumn getReflnsCriterion()
      Criterion used to limit the reflections used in the phasing calculations.
      Returns:
      StrColumn

    • getPdbxNumberDerivatives

      public IntColumn getPdbxNumberDerivatives()
      The number of derivatives used in this phasing experiment.
      Returns:
      IntColumn