Package org.rcsb.cif.model.generated

Class PhasingMIRDerSite

  • All Implemented Interfaces:
    Category
    @Generated("org.rcsb.cif.generator.SchemaGenerator")
public class PhasingMIRDerSite
extends BaseCategory
    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 Detail

      • PhasingMIRDerSite

        public PhasingMIRDerSite​(String name,
                         int rowCount,
                         Object[] encodedColumns)

      • PhasingMIRDerSite

        public PhasingMIRDerSite​(String name)

    • Method Detail

      • 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