org.rcsb.cif.schema.core.Refln Maven / Gradle / Ivy
package org.rcsb.cif.schema.core;
import org.rcsb.cif.model.*;
import org.rcsb.cif.schema.*;
import javax.annotation.Generated;
/**
* The CATEGORY of data items used to describe the reflection data
* used in the refinement of a crystallographic structure model.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class Refln extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "refln";
public Refln(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* The calculated real structure-factor component A =|Fcalc|cos(phase)
* @return FloatColumn
*/
public FloatColumn getACalc() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_a_calc"));
}
/**
* Standard uncertainty of _refln.A_calc.
* @return FloatColumn
*/
public FloatColumn getACalcSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_a_calc_su"));
}
/**
* The measured real structure-factor component A =|Fmeas|cos(phase)
* @return FloatColumn
*/
public FloatColumn getAMeas() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_a_meas"));
}
/**
* Standard uncertainty of _refln.A_meas.
* @return FloatColumn
*/
public FloatColumn getAMeasSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_a_meas_su"));
}
/**
* The calculated imaginary structure-factor component B =|Fcalc|sin(phase)
* @return FloatColumn
*/
public FloatColumn getBCalc() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_b_calc"));
}
/**
* Standard uncertainty of _refln.B_calc.
* @return FloatColumn
*/
public FloatColumn getBCalcSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_b_calc_su"));
}
/**
* The measured imaginary structure-factor component B =|Fmeas|sin(phase)
* @return FloatColumn
*/
public FloatColumn getBMeas() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_b_meas"));
}
/**
* Standard uncertainty of _refln.B_meas.
* @return FloatColumn
*/
public FloatColumn getBMeasSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_b_meas_su"));
}
/**
* Code identifying the class to which this reflection has been
* assigned. This code must match a value of _reflns_class.code.
* Reflections may be grouped into classes for a variety of
* purposes. For example, for modulated structures each reflection
* class may be defined by the number m=sum|m~i~|, where the m~i~
* are the integer coefficients that, in addition to h,k,l, index
* the corresponding diffraction vector in the basis defined
* for the reciprocal lattice.
* @return StrColumn
*/
public StrColumn getClassCode() {
return new DelegatingStrColumn(parentBlock.getColumn("refln_class_code"));
}
/**
* The distance in angstroms between lattice planes in the crystal
* with the indices _refln.hkl for this reflection.
* @return FloatColumn
*/
public FloatColumn getDSpacing() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_d_spacing"));
}
/**
* The structure factor amplitude for the reflection calculated from
* the atom site data.
* @return FloatColumn
*/
public FloatColumn getFCalc() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_calc"));
}
/**
* Standard uncertainty of _refln.F_calc.
* @return FloatColumn
*/
public FloatColumn getFCalcSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_calc_su"));
}
/**
* The structure factor vector for the reflection calculated from
* the atom site data.
* @return StrColumn
*/
public StrColumn getFComplex() {
return new DelegatingStrColumn(parentBlock.getColumn("refln_f_complex"));
}
/**
* Standard uncertainty of _refln.F_complex.
* @return FloatColumn
*/
public FloatColumn getFComplexSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_complex_su"));
}
/**
* The structure factor amplitude for the reflection derived from the
* measured intensities.
* @return FloatColumn
*/
public FloatColumn getFMeas() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_meas"));
}
/**
* The structure factor amplitude squared for the reflection calculated from
* the atom site data.
* @return FloatColumn
*/
public FloatColumn getFSquaredCalc() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_squared_calc"));
}
/**
* Standard uncertainty of _refln.F_squared_calc.
* @return FloatColumn
*/
public FloatColumn getFSquaredCalcSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_squared_calc_su"));
}
/**
* The structure factor amplitude for the reflection derived from the
* measured intensities.
* @return FloatColumn
*/
public FloatColumn getFSquaredMeas() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_f_squared_meas"));
}
/**
* The figure of merit m for this reflection.
*
* int P~alpha~ exp(i*alpha) dalpha
* m = --------------------------------
* int P~alpha~ dalpha
*
* P~a~ = the probability that the phase angle a is correct
*
* int is taken over the range alpha = 0 to 2 pi.
* @return FloatColumn
*/
public FloatColumn getFom() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_fom"));
}
/**
* Atomic scattering factor table for the scattering angle
* of this diffraction vector and atom types in structure.
* @return FloatColumn
*/
public FloatColumn getFormFactorTable() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_form_factor_table"));
}
/**
* The Miller indices as a reciprocal space vector.
* @return IntColumn
*/
public IntColumn getHkl() {
return new DelegatingIntColumn(parentBlock.getColumn("refln_hkl"));
}
/**
* The index of a reciprocal space vector.
* @return IntColumn
*/
public IntColumn getIndexH() {
return new DelegatingIntColumn(parentBlock.getColumn("refln_index_h"));
}
/**
* The index of a reciprocal space vector.
* @return IntColumn
*/
public IntColumn getIndexK() {
return new DelegatingIntColumn(parentBlock.getColumn("refln_index_k"));
}
/**
* The index of a reciprocal space vector.
* @return IntColumn
*/
public IntColumn getIndexL() {
return new DelegatingIntColumn(parentBlock.getColumn("refln_index_l"));
}
/**
* The intensity of the reflection calculated from the atom site data.
* @return FloatColumn
*/
public FloatColumn getIntensityCalc() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_intensity_calc"));
}
/**
* Standard uncertainty of _refln.intensity_calc.
* @return FloatColumn
*/
public FloatColumn getIntensityCalcSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_intensity_calc_su"));
}
/**
* The intensity of the reflection derived from the diffraction measurements.
* @return FloatColumn
*/
public FloatColumn getIntensityMeas() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_intensity_meas"));
}
/**
* The Lorentz-polarization factor appropriate for the instrument
* used to measure the diffraction intensity. This is applied to
* convert the net intensity into the measured F squared.
* @return FloatColumn
*/
public FloatColumn getLpFactor() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_lp_factor"));
}
/**
* Mean path length through the crystal for this diffraction vector.
* @return FloatColumn
*/
public FloatColumn getMeanPathLengthTbar() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_mean_path_length_tbar"));
}
/**
* The phase of the calculated structure-factor.
* @return FloatColumn
*/
public FloatColumn getPhaseCalc() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_phase_calc"));
}
/**
* Standard uncertainty of _refln.phase_calc.
* @return FloatColumn
*/
public FloatColumn getPhaseCalcSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_phase_calc_su"));
}
/**
* The phase of the measured structure-factor. This may be derived from
* the atom site data if available or from the phase solution process
* prior to determination of the structure.
* @return FloatColumn
*/
public FloatColumn getPhaseMeas() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_phase_meas"));
}
/**
* Standard uncertainty of _refln.phase_meas.
* @return FloatColumn
*/
public FloatColumn getPhaseMeasSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_phase_meas_su"));
}
/**
* Status code of reflection in the structure refinement process.
* @return StrColumn
*/
public StrColumn getRefinementStatus() {
return new DelegatingStrColumn(parentBlock.getColumn("refln_refinement_status"));
}
/**
* Code identifying the scale (if there is more than one scale) used
* convert the measured structure factor to a common absolute value.
* @return StrColumn
*/
public StrColumn getScaleGroupCode() {
return new DelegatingStrColumn(parentBlock.getColumn("refln_scale_group_code"));
}
/**
* The symmetry reinforcement factor corresponding to the number of
* times the reflection indices are generated identically from the
* space-group symmetry operations.
* @return IntColumn
*/
public IntColumn getSymmetryEpsilon() {
return new DelegatingIntColumn(parentBlock.getColumn("refln_symmetry_epsilon"));
}
/**
* The number of reflections symmetry-equivalent under the Laue
* symmetry to the present reflection. In the Laue symmetry, Friedel
* opposites (h k l and -h -k -l) are equivalent. Tables of
* symmetry-equivalent reflections are available in International
* Tables for Crystallography, Volume A (1987), section 10.2.
* @return IntColumn
*/
public IntColumn getSymmetryMultiplicity() {
return new DelegatingIntColumn(parentBlock.getColumn("refln_symmetry_multiplicity"));
}
/**
* The mean wavelength in angstroms of radiation used to measure
* this reflection. This is an important parameter for data
* collected using energy-dispersive detectors or the Laue method.
* @return FloatColumn
*/
public FloatColumn getWavelength() {
return new DelegatingFloatColumn(parentBlock.getColumn("refln_wavelength"));
}
/**
* Code identifying the wavelength in DIFFRN_RADIATION_WAVELENGTH list.
* @return StrColumn
*/
public StrColumn getWavelengthId() {
return new DelegatingStrColumn(parentBlock.getColumn("refln_wavelength_id"));
}
/**
* Standard uncertainty of the measured structure factor amplitude.
* @return FloatColumn
*/
public FloatColumn getFMeasSigma() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_meas_sigma", "refln_f_meas_su"));
}
/**
* Standard uncertainty of the measured structure factor amplitude.
* @return FloatColumn
*/
public FloatColumn getFMeasSu() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_meas_sigma", "refln_f_meas_su"));
}
/**
* Standard uncertainty of the measured structure factor squared.
* @return FloatColumn
*/
public FloatColumn getFSquaredSigma() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_squared_sigma", "refln_f_squared_meas_su"));
}
/**
* Standard uncertainty of the measured structure factor squared.
* @return FloatColumn
*/
public FloatColumn getFSquaredMeasSu() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_F_squared_sigma", "refln_f_squared_meas_su"));
}
/**
* Code indicating how the reflection was included in the refinement
* and R-factor calculations.
* @return StrColumn
*/
public StrColumn getObservedStatus() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("refln_observed_status", "refln_status", "refln_include_status"));
}
/**
* Code indicating how the reflection was included in the refinement
* and R-factor calculations.
* @return StrColumn
*/
public StrColumn getStatus() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("refln_observed_status", "refln_status", "refln_include_status"));
}
/**
* Code indicating how the reflection was included in the refinement
* and R-factor calculations.
* @return StrColumn
*/
public StrColumn getIncludeStatus() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("refln_observed_status", "refln_status", "refln_include_status"));
}
/**
* Standard uncertainty of the measured intensity.
* @return FloatColumn
*/
public FloatColumn getIntensitySigma() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_intensity_sigma", "refln_intensity_meas_su"));
}
/**
* Standard uncertainty of the measured intensity.
* @return FloatColumn
*/
public FloatColumn getIntensityMeasSu() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_intensity_sigma", "refln_intensity_meas_su"));
}
/**
* The (sin theta)/lambda value for this reflection.
* @return FloatColumn
*/
public FloatColumn getSintOverLambda() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_sint_over_lambda", "refln_sin_theta_over_lambda"));
}
/**
* The (sin theta)/lambda value for this reflection.
* @return FloatColumn
*/
public FloatColumn getSinThetaOverLambda() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("refln_sint_over_lambda", "refln_sin_theta_over_lambda"));
}
}