Package org.rcsb.cif.schema.mm

Class PhasingMIRDerSite

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.PhasingMIRDerSite
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class PhasingMIRDerSite
extends DelegatingCategory
Data items in the PHASING_MIR_DER_SITE category record details about the heavy-atom sites in an MIR phasing experiment. This list may contain information from a number of different derivatives; _phasing_MIR_der_site.der_id indicates to which derivative a given record corresponds. (A derivative in this context does not necessarily equate with a data set; see the definition of the PHASING_MIR_DER category for a discussion of the meaning of derivative.)

  • Constructor Details

  • Method Details

    • createDelegate

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

    • getAtomTypeSymbol

      public StrColumn getAtomTypeSymbol()
      This data item is a pointer to _atom_type.symbol in the ATOM_TYPE category. The scattering factors referenced via this data item should be those used in the refinement of the heavy-atom data; in some cases this is the scattering factor for the single heavy atom, in other cases these are the scattering factors for an atomic cluster.
      Returns:
      StrColumn

    • getBIso

      public FloatColumn getBIso()
      Isotropic displacement parameter for this heavy-atom site in this derivative.
      Returns:
      FloatColumn

    • getBIsoEsd

      public FloatColumn getBIsoEsd()
      The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.B_iso.
      Returns:
      FloatColumn

    • getCartnX

      public FloatColumn getCartnX()
      The x coordinate of this heavy-atom position in this derivative specified as orthogonal angstroms. The orthogonal Cartesian axes are related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
      Returns:
      FloatColumn

    • getCartnXEsd

      public FloatColumn getCartnXEsd()
      The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.Cartn_x.
      Returns:
      FloatColumn

    • getCartnY

      public FloatColumn getCartnY()
      The y coordinate of this heavy-atom position in this derivative specified as orthogonal angstroms. The orthogonal Cartesian axes are related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
      Returns:
      FloatColumn

    • getCartnYEsd

      public FloatColumn getCartnYEsd()
      The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.Cartn_y.
      Returns:
      FloatColumn

    • getCartnZ

      public FloatColumn getCartnZ()
      The z coordinate of this heavy-atom position in this derivative specified as orthogonal angstroms. The orthogonal Cartesian axes are related to the cell axes as specified by the description given in _atom_sites.Cartn_transform_axes.
      Returns:
      FloatColumn

    • getCartnZEsd

      public FloatColumn getCartnZEsd()
      The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.Cartn_z.
      Returns:
      FloatColumn

    • getDerId

      public StrColumn getDerId()
      This data item is a pointer to _phasing_MIR_der.id in the PHASING_MIR_DER category.
      Returns:
      StrColumn

    • getDetails

      public StrColumn getDetails()
      A description of special aspects of the derivative site.
      Returns:
      StrColumn

    • getFractX

      public FloatColumn getFractX()
      The x coordinate of this heavy-atom position in this derivative specified as a fraction of _cell.length_a.
      Returns:
      FloatColumn

    • getFractXEsd

      public FloatColumn getFractXEsd()
      The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.fract_x.
      Returns:
      FloatColumn

    • getFractY

      public FloatColumn getFractY()
      The y coordinate of this heavy-atom position in this derivative specified as a fraction of _cell.length_b.
      Returns:
      FloatColumn

    • getFractYEsd

      public FloatColumn getFractYEsd()
      The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.fract_y.
      Returns:
      FloatColumn

    • getFractZ

      public FloatColumn getFractZ()
      The z coordinate of this heavy-atom position in this derivative specified as a fraction of _cell.length_c.
      Returns:
      FloatColumn

    • getFractZEsd

      public FloatColumn getFractZEsd()
      The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.fract_z.
      Returns:
      FloatColumn

    • getId

      public StrColumn getId()
      The value of _phasing_MIR_der_site.id must uniquely identify each site in each derivative in the PHASING_MIR_DER_SITE list. The atom identifiers need not be unique over all sites in all derivatives; they need only be unique for each site in each derivative. Note that this item need not be a number; it can be any unique identifier.
      Returns:
      StrColumn

    • getOccupancy

      public FloatColumn getOccupancy()
      The fraction of the atom type present at this heavy-atom site in a given derivative. The sum of the occupancies of all the atom types at this site may not significantly exceed 1.0 unless it is a dummy site.
      Returns:
      FloatColumn

    • getOccupancyAnom

      public FloatColumn getOccupancyAnom()
      The relative anomalous occupancy of the atom type present at this heavy-atom site in a given derivative. This atom occupancy will probably be on an arbitrary scale.
      Returns:
      FloatColumn

    • getOccupancyAnomSu

      public FloatColumn getOccupancyAnomSu()
      The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.occupancy_anom.
      Returns:
      FloatColumn

    • getOccupancyIso

      public FloatColumn getOccupancyIso()
      The relative real isotropic occupancy of the atom type present at this heavy-atom site in a given derivative. This atom occupancy will probably be on an arbitrary scale.
      Returns:
      FloatColumn

    • getOccupancyIsoSu

      public FloatColumn getOccupancyIsoSu()
      The standard uncertainty (estimated standard deviation) of _phasing_MIR_der_site.occupancy_iso.
      Returns:
      FloatColumn