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package org.rcsb.cif.schema.mm;
import org.rcsb.cif.model.*;
import org.rcsb.cif.schema.*;
import javax.annotation.Generated;
/**
* Data items in the PHASING_MIR_DER_REFLN category record details
* about the calculated structure factors obtained in an MIR
* phasing experiment.
*
* This list may contain information from a number of different
* derivatives; _phasing_MIR_der_refln.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.)
*
* It is not necessary for the data items describing the measured
* value of F to appear in this list, as they will be
* given in the PHASING_SET_REFLN category. However, these
* items can also be listed here for completeness.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class PhasingMIRDerRefln extends DelegatingCategory {
public PhasingMIRDerRefln(Category delegate) {
super(delegate);
}
@Override
protected Column createDelegate(String columnName, Column column) {
switch (columnName) {
case "der_id":
return getDerId();
case "F_calc":
return getFCalc();
case "F_calc_au":
return getFCalcAu();
case "F_meas":
return getFMeas();
case "F_meas_au":
return getFMeasAu();
case "F_meas_sigma":
return getFMeasSigma();
case "F_meas_sigma_au":
return getFMeasSigmaAu();
case "HL_A_iso":
return getHLAIso();
case "HL_B_iso":
return getHLBIso();
case "HL_C_iso":
return getHLCIso();
case "HL_D_iso":
return getHLDIso();
case "index_h":
return getIndexH();
case "index_k":
return getIndexK();
case "index_l":
return getIndexL();
case "phase_calc":
return getPhaseCalc();
case "set_id":
return getSetId();
default:
return new DelegatingColumn(column);
}
}
/**
* This data item is a pointer to _phasing_MIR_der.id in the
* PHASING_MIR_DER category.
* @return StrColumn
*/
public StrColumn getDerId() {
return delegate.getColumn("der_id", DelegatingStrColumn::new);
}
/**
* The calculated value of the structure factor for this derivative,
* in electrons.
* @return FloatColumn
*/
public FloatColumn getFCalc() {
return delegate.getColumn("F_calc", DelegatingFloatColumn::new);
}
/**
* The calculated value of the structure factor for this derivative,
* in arbitrary units.
* @return FloatColumn
*/
public FloatColumn getFCalcAu() {
return delegate.getColumn("F_calc_au", DelegatingFloatColumn::new);
}
/**
* The measured value of the structure factor for this derivative,
* in electrons.
* @return FloatColumn
*/
public FloatColumn getFMeas() {
return delegate.getColumn("F_meas", DelegatingFloatColumn::new);
}
/**
* The measured value of the structure factor for this derivative,
* in arbitrary units.
* @return FloatColumn
*/
public FloatColumn getFMeasAu() {
return delegate.getColumn("F_meas_au", DelegatingFloatColumn::new);
}
/**
* The standard uncertainty (estimated standard deviation)
* of _phasing_MIR_der_refln.F_meas, in electrons.
* @return FloatColumn
*/
public FloatColumn getFMeasSigma() {
return delegate.getColumn("F_meas_sigma", DelegatingFloatColumn::new);
}
/**
* The standard uncertainty (estimated standard deviation)
* of _phasing_MIR_der_refln.F_meas_au, in arbitrary units.
* @return FloatColumn
*/
public FloatColumn getFMeasSigmaAu() {
return delegate.getColumn("F_meas_sigma_au", DelegatingFloatColumn::new);
}
/**
* The isomorphous Hendrickson-Lattman coefficient A~iso~ for this
* reflection for this derivative.
*
* -2.0 * (Fp~obs~^2^ + Fh~calc~^2^ - Fph~obs~^2^)
* * Fp~obs~ * cos(alphah~calc~)
* A~iso~ = -----------------------------------------------
* E^2^
*
* E = (Fph~obs~ - Fp~obs~ - Fh~calc~)^2^
* for centric reflections
* = [(Fph~obs~ - Fp~obs~) * 2^1/2^ - Fh~calc~]^2^
* for acentric reflections
*
* Fp~obs~ = the observed structure-factor amplitude of the
* native
* Fph~obs~ = the observed structure-factor amplitude of the
* derivative
* Fh~calc~ = the calculated structure-factor amplitude
* from the heavy-atom model
* alphah~calc~ = the calculated phase from the heavy-atom model
*
* This coefficient appears in the expression for the phase
* probability of each isomorphous derivative:
*
* P~i~(alpha) = exp[k + A * cos(alpha) + B * sin(alpha)
* + C * cos(2 * alpha) + D * sin(2 * alpha)]
*
* Ref: Hendrickson, W. A. & Lattman, E. E. (1970). Acta
* Cryst. B26, 136-143.
* @return FloatColumn
*/
public FloatColumn getHLAIso() {
return delegate.getColumn("HL_A_iso", DelegatingFloatColumn::new);
}
/**
* The isomorphous Hendrickson-Lattman coefficient B~iso~ for this
* reflection for this derivative.
*
* -2.0 * (Fp~obs~^2^ + Fh~calc~^2^ - Fph~obs~^2^)
* * Fp~obs~ * sin(alphah~calc~)
* B~iso~ = -----------------------------------------------
* E^2^
*
* E = (Fph~obs~ - Fp~obs~ - Fh~calc~)^2^
* for centric reflections
* = [(Fph~obs~ - Fp~obs~) * 2^1/2^ - Fh~calc~]^2^
* for acentric reflections
*
* Fp~obs~ = the observed structure-factor amplitude of the
* native
* Fph~obs~ = the observed structure-factor amplitude of the
* derivative
* Fh~calc~ = the calculated structure-factor amplitude
* from the heavy-atom model
* alphah~calc~ = the phase calculated from the heavy-atom model
*
* This coefficient appears in the expression for the phase
* probability of each isomorphous derivative:
*
* P~i~(alpha) = exp[k + A * cos(alpha) + B * sin(alpha)
* + C * cos(2 * alpha) + D * sin(2 * alpha)]
*
* Ref: Hendrickson, W. A. & Lattman, E. E. (1970). Acta
* Cryst. B26, 136-143.
* @return FloatColumn
*/
public FloatColumn getHLBIso() {
return delegate.getColumn("HL_B_iso", DelegatingFloatColumn::new);
}
/**
* The isomorphous Hendrickson-Lattman coefficient C~iso~ for this
* reflection for this derivative.
*
* -Fp~obs~^2^ * [sin(alphah~calc~)^2^
* - cos(alphah~calc~)^2^]
* C~iso~ = ------------------------------------
* E^2^
*
* E = (Fph~obs~ - Fp~obs~ - Fh~calc~)^2^
* for centric reflections
* = [(Fph~obs~ - Fp~obs~) * 2^1/2^ - Fh~calc~]^2^
* for acentric reflections
*
* Fp~obs~ = the observed structure-factor amplitude of the
* native
* Fph~obs~ = the observed structure-factor amplitude of the
* derivative
* Fh~calc~ = the calculated structure-factor amplitude
* from the heavy-atom model
* alphah~calc~ = the phase calculated from the heavy-atom model
*
* This coefficient appears in the expression for the phase
* probability of each isomorphous derivative:
*
* P~i~(alpha) = exp[k + A * cos(alpha) + B * sin(alpha)
* + C * cos(2 * alpha) + D * sin(2 * alpha)]
*
* Ref: Hendrickson, W. A. & Lattman, E. E. (1970). Acta
* Cryst. B26, 136-143.
* @return FloatColumn
*/
public FloatColumn getHLCIso() {
return delegate.getColumn("HL_C_iso", DelegatingFloatColumn::new);
}
/**
* The isomorphous Hendrickson-Lattman coefficient D~iso~ for this
* reflection for this derivative.
*
* -2.0 * Fp~obs~^2^ * sin(alphah~calc~)^2^
* * cos(alphah~calc~)^2^
* D~iso~ = ----------------------------------------
* E^2^
*
* E = (Fph~obs~ - Fp~obs~ - Fh~calc~)^2^
* for centric reflections
* = [(Fph~obs~ - Fp~obs~) * 2^1/2^ - Fh~calc~]^2^
* for acentric reflections
*
* Fp~obs~ = the observed structure-factor amplitude of the
* native
* Fph~obs~ = the observed structure-factor amplitude of the
* derivative
* Fh~calc~ = the calculated structure-factor amplitude
* from the heavy-atom model
* alphah~calc~ = the phase calculated from the heavy-atom model
*
* This coefficient appears in the expression for the phase
* probability of each isomorphous derivative:
*
* P~i~(alpha) = exp[k + A * cos(alpha) + B * sin(alpha)
* + C * cos(2 * alpha) + D * sin(2 * alpha)]
*
* Ref: Hendrickson, W. A. & Lattman, E. E. (1970). Acta
* Cryst. B26, 136-143.
* @return FloatColumn
*/
public FloatColumn getHLDIso() {
return delegate.getColumn("HL_D_iso", DelegatingFloatColumn::new);
}
/**
* Miller index h for this reflection for this derivative.
* @return IntColumn
*/
public IntColumn getIndexH() {
return delegate.getColumn("index_h", DelegatingIntColumn::new);
}
/**
* Miller index k for this reflection for this derivative.
* @return IntColumn
*/
public IntColumn getIndexK() {
return delegate.getColumn("index_k", DelegatingIntColumn::new);
}
/**
* Miller index l for this reflection for this derivative.
* @return IntColumn
*/
public IntColumn getIndexL() {
return delegate.getColumn("index_l", DelegatingIntColumn::new);
}
/**
* The calculated value of the structure-factor phase based on the
* heavy-atom model for this derivative in degrees.
* @return FloatColumn
*/
public FloatColumn getPhaseCalc() {
return delegate.getColumn("phase_calc", DelegatingFloatColumn::new);
}
/**
* This data item is a pointer to _phasing_set.id in the
* PHASING_SET category.
* @return StrColumn
*/
public StrColumn getSetId() {
return delegate.getColumn("set_id", DelegatingStrColumn::new);
}
}
