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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 category record details
* about individual derivatives used in the phasing of the
* structure when methods involving isomorphous replacement are
* involved.
*
* A derivative in this context does not necessarily equate with
* a data set; for instance, the same data set could be used to
* one resolution limit as an isomorphous scatterer and to a
* different resolution (and with a different sigma cutoff) as an
* anomalous scatterer. These would be treated as two distinct
* derivatives, although both derivatives would point to the same
* data sets via _phasing_MIR_der.der_set_id and
* _phasing_MIR_der.native_set_id.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class PhasingMIRDer extends DelegatingCategory {
public PhasingMIRDer(Category delegate) {
super(delegate);
}
@Override
protected Column createDelegate(String columnName, Column column) {
switch (columnName) {
case "d_res_high":
return getDResHigh();
case "d_res_low":
return getDResLow();
case "der_set_id":
return getDerSetId();
case "details":
return getDetails();
case "id":
return getId();
case "native_set_id":
return getNativeSetId();
case "number_of_sites":
return getNumberOfSites();
case "power_acentric":
return getPowerAcentric();
case "power_centric":
return getPowerCentric();
case "R_cullis_acentric":
return getRCullisAcentric();
case "R_cullis_anomalous":
return getRCullisAnomalous();
case "R_cullis_centric":
return getRCullisCentric();
case "reflns_acentric":
return getReflnsAcentric();
case "reflns_anomalous":
return getReflnsAnomalous();
case "reflns_centric":
return getReflnsCentric();
case "reflns_criteria":
return getReflnsCriteria();
case "pdbx_R_kraut_centric":
return getPdbxRKrautCentric();
case "pdbx_R_kraut_acentric":
return getPdbxRKrautAcentric();
case "pdbx_R_kraut":
return getPdbxRKraut();
case "pdbx_loc_centric":
return getPdbxLocCentric();
case "pdbx_loc_acentric":
return getPdbxLocAcentric();
case "pdbx_loc":
return getPdbxLoc();
case "pdbx_fom_centric":
return getPdbxFomCentric();
case "pdbx_fom_acentric":
return getPdbxFomAcentric();
case "pdbx_fom":
return getPdbxFom();
case "pdbx_power":
return getPdbxPower();
case "pdbx_R_cullis":
return getPdbxRCullis();
case "pdbx_reflns":
return getPdbxReflns();
default:
return new DelegatingColumn(column);
}
}
/**
* The lowest value for the interplanar spacings for the
* reflection data used for this derivative. This is called the
* highest resolution.
* @return FloatColumn
*/
public FloatColumn getDResHigh() {
return delegate.getColumn("d_res_high", DelegatingFloatColumn::new);
}
/**
* The highest value for the interplanar spacings for the
* reflection data used for this derivative. This is called the
* lowest resolution.
* @return FloatColumn
*/
public FloatColumn getDResLow() {
return delegate.getColumn("d_res_low", DelegatingFloatColumn::new);
}
/**
* The data set that was treated as the derivative in this
* experiment.
*
* This data item is a pointer to _phasing_set.id in the
* PHASING_SET category.
* @return StrColumn
*/
public StrColumn getDerSetId() {
return delegate.getColumn("der_set_id", DelegatingStrColumn::new);
}
/**
* A description of special aspects of this derivative, its data,
* its solution or its use in phasing.
* @return StrColumn
*/
public StrColumn getDetails() {
return delegate.getColumn("details", DelegatingStrColumn::new);
}
/**
* The value of _phasing_MIR_der.id must uniquely identify
* a record in the PHASING_MIR_DER list.
*
* Note that this item need not be a number; it can be any unique
* identifier.
* @return StrColumn
*/
public StrColumn getId() {
return delegate.getColumn("id", DelegatingStrColumn::new);
}
/**
* The data set that was treated as the native in this
* experiment.
*
* This data item is a pointer to _phasing_set.id in the
* PHASING_SET category.
* @return StrColumn
*/
public StrColumn getNativeSetId() {
return delegate.getColumn("native_set_id", DelegatingStrColumn::new);
}
/**
* The number of heavy-atom sites in this derivative.
* @return IntColumn
*/
public IntColumn getNumberOfSites() {
return delegate.getColumn("number_of_sites", DelegatingIntColumn::new);
}
/**
* The mean phasing power P for acentric reflections for this
* derivative.
*
* sum|Fh~calc~^2^|
* P = (----------------------------)^1/2^
* sum|Fph~obs~ - Fph~calc~|^2^
*
* Fph~obs~ = the observed structure-factor amplitude of this
* derivative
* Fph~calc~ = the calculated structure-factor amplitude of this
* derivative
* Fh~calc~ = the calculated structure-factor amplitude from the
* heavy-atom model
*
* sum is taken over the specified reflections
* @return FloatColumn
*/
public FloatColumn getPowerAcentric() {
return delegate.getColumn("power_acentric", DelegatingFloatColumn::new);
}
/**
* The mean phasing power P for centric reflections for this
* derivative.
*
* sum|Fh~calc~^2^|
* P = (----------------------------)^1/2^
* sum|Fph~obs~ - Fph~calc~|^2^
*
* Fph~obs~ = the observed structure-factor amplitude of the
* derivative
* Fph~calc~ = the calculated structure-factor amplitude of the
* derivative
* Fh~calc~ = the calculated structure-factor amplitude from the
* heavy-atom model
*
* sum is taken over the specified reflections
* @return FloatColumn
*/
public FloatColumn getPowerCentric() {
return delegate.getColumn("power_centric", DelegatingFloatColumn::new);
}
/**
* Residual factor R~cullis,acen~ for acentric reflections for this
* derivative.
*
* The Cullis R factor was originally defined only for centric
* reflections. It is, however, also a useful statistical
* measure for acentric reflections, which is how it is used in
* this data item.
*
* sum| |Fph~obs~ +/- Fp~obs~| - Fh~calc~ |
* R~cullis,acen~ = ----------------------------------------
* sum|Fph~obs~ - Fp~obs~|
*
* 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
*
* sum is taken over the specified reflections
*
* Ref: Cullis, A. F., Muirhead, H., Perutz, M. F., Rossmann, M. G.
* & North, A. C. T. (1961). Proc. R. Soc. London Ser. A,
* 265, 15-38.
* @return FloatColumn
*/
public FloatColumn getRCullisAcentric() {
return delegate.getColumn("R_cullis_acentric", DelegatingFloatColumn::new);
}
/**
* Residual factor R~cullis,ano~ for anomalous reflections for this
* derivative.
*
* The Cullis R factor was originally defined only for centric
* reflections. It is, however, also a useful statistical
* measure for anomalous reflections, which is how it is used in
* this data item.
*
* This is tabulated for acentric terms. A value less than 1.0
* means there is some contribution to the phasing from the
* anomalous data.
*
* sum |Fph+~obs~Fph-~obs~ - Fh+~calc~ - Fh-~calc~|
* R~cullis,ano~ = ------------------------------------------------
* sum|Fph+~obs~ - Fph-~obs~|
*
* Fph+~obs~ = the observed positive Friedel structure-factor
* amplitude for the derivative
* Fph-~obs~ = the observed negative Friedel structure-factor
* amplitude for the derivative
*
* Fh+~calc~ = the calculated positive Friedel structure-factor
* amplitude from the heavy-atom model
* Fh-~calc~ = the calculated negative Friedel structure-factor
* amplitude from the heavy-atom model
*
* sum is taken over the specified reflections
*
* Ref: Cullis, A. F., Muirhead, H., Perutz, M. F., Rossmann, M. G.
* & North, A. C. T. (1961). Proc. R. Soc. London Ser. A,
* 265, 15-38.
* @return FloatColumn
*/
public FloatColumn getRCullisAnomalous() {
return delegate.getColumn("R_cullis_anomalous", DelegatingFloatColumn::new);
}
/**
* Residual factor R~cullis~ for centric reflections for this
* derivative.
*
* sum| |Fph~obs~ +/- Fp~obs~| - Fh~calc~ |
* R~cullis~ = ----------------------------------------
* sum|Fph~obs~ - Fp~obs~|
*
* 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
*
* sum is taken over the specified reflections
*
* Ref: Cullis, A. F., Muirhead, H., Perutz, M. F., Rossmann, M. G.
* & North, A. C. T. (1961). Proc. R. Soc. London Ser. A,
* 265, 15-38.
* @return FloatColumn
*/
public FloatColumn getRCullisCentric() {
return delegate.getColumn("R_cullis_centric", DelegatingFloatColumn::new);
}
/**
* The number of acentric reflections used in phasing for this
* derivative.
* @return IntColumn
*/
public IntColumn getReflnsAcentric() {
return delegate.getColumn("reflns_acentric", DelegatingIntColumn::new);
}
/**
* The number of anomalous reflections used in phasing for this
* derivative.
* @return IntColumn
*/
public IntColumn getReflnsAnomalous() {
return delegate.getColumn("reflns_anomalous", DelegatingIntColumn::new);
}
/**
* The number of centric reflections used in phasing for this
* derivative.
* @return IntColumn
*/
public IntColumn getReflnsCentric() {
return delegate.getColumn("reflns_centric", DelegatingIntColumn::new);
}
/**
* Criteria used to limit the reflections used in the phasing
* calculations.
* @return StrColumn
*/
public StrColumn getReflnsCriteria() {
return delegate.getColumn("reflns_criteria", DelegatingStrColumn::new);
}
/**
* record R_kraut obtained from centric data for each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxRKrautCentric() {
return delegate.getColumn("pdbx_R_kraut_centric", DelegatingFloatColumn::new);
}
/**
* record R_kraut obtained from acentric data for each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxRKrautAcentric() {
return delegate.getColumn("pdbx_R_kraut_acentric", DelegatingFloatColumn::new);
}
/**
* record R_kraut obtained from all data data for each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxRKraut() {
return delegate.getColumn("pdbx_R_kraut", DelegatingFloatColumn::new);
}
/**
* record lack of closure obtained from centric data for
* each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxLocCentric() {
return delegate.getColumn("pdbx_loc_centric", DelegatingFloatColumn::new);
}
/**
* record lack of closure obtained from acentric data for
* each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxLocAcentric() {
return delegate.getColumn("pdbx_loc_acentric", DelegatingFloatColumn::new);
}
/**
* record lack of closure obtained from all data for
* each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxLoc() {
return delegate.getColumn("pdbx_loc", DelegatingFloatColumn::new);
}
/**
* record figure of merit obtained from centric data for
* each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxFomCentric() {
return delegate.getColumn("pdbx_fom_centric", DelegatingFloatColumn::new);
}
/**
* record figure of merit obtained from acentric data for
* each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxFomAcentric() {
return delegate.getColumn("pdbx_fom_acentric", DelegatingFloatColumn::new);
}
/**
* record figure of merit obtained from all data for
* each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxFom() {
return delegate.getColumn("pdbx_fom", DelegatingFloatColumn::new);
}
/**
* record phasing power for each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxPower() {
return delegate.getColumn("pdbx_power", DelegatingFloatColumn::new);
}
/**
* record R_cullis for each derivative.
* @return FloatColumn
*/
public FloatColumn getPdbxRCullis() {
return delegate.getColumn("pdbx_R_cullis", DelegatingFloatColumn::new);
}
/**
* record number of reflections used for each derivative.
* @return IntColumn
*/
public IntColumn getPdbxReflns() {
return delegate.getColumn("pdbx_reflns", DelegatingIntColumn::new);
}
}
