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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_SHELL category record
* statistics, broken down into shells of resolution, for an MIR
* phasing experiment.
*
* This list may contain information from a number of different
* derivatives; _phasing_MIR_der_shell.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.)
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class PhasingMIRDerShell extends DelegatingCategory {
public PhasingMIRDerShell(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_id":
return getDerId();
case "fom":
return getFom();
case "ha_ampl":
return getHaAmpl();
case "loc":
return getLoc();
case "phase":
return getPhase();
case "power":
return getPower();
case "R_cullis":
return getRCullis();
case "R_kraut":
return getRKraut();
case "reflns":
return getReflns();
case "pdbx_R_cullis_centric":
return getPdbxRCullisCentric();
case "pdbx_R_cullis_acentric":
return getPdbxRCullisAcentric();
case "pdbx_R_kraut_centric":
return getPdbxRKrautCentric();
case "pdbx_R_kraut_acentric":
return getPdbxRKrautAcentric();
case "pdbx_loc_centric":
return getPdbxLocCentric();
case "pdbx_loc_acentric":
return getPdbxLocAcentric();
case "pdbx_power_centric":
return getPdbxPowerCentric();
case "pdbx_power_acentric":
return getPdbxPowerAcentric();
case "pdbx_fom_centric":
return getPdbxFomCentric();
case "pdbx_fom_acentric":
return getPdbxFomAcentric();
case "pdbx_reflns_centric":
return getPdbxReflnsCentric();
case "pdbx_reflns_acentric":
return getPdbxReflnsAcentric();
default:
return new DelegatingColumn(column);
}
}
/**
* The lowest value for the interplanar spacings for the
* reflection data for this derivative in this shell. 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 for this derivative in this shell. This is called
* the lowest resolution.
* @return FloatColumn
*/
public FloatColumn getDResLow() {
return delegate.getColumn("d_res_low", DelegatingFloatColumn::new);
}
/**
* 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 mean value of the figure of merit m for reflections for this
* derivative in this shell.
*
* int P~alpha~ exp(i*alpha) dalpha
* m = --------------------------------
* int P~alpha~ dalpha
*
* P~alpha~ = the probability that the phase angle alpha is correct
*
* int is taken over the range alpha = 0 to 2 pi.
* @return FloatColumn
*/
public FloatColumn getFom() {
return delegate.getColumn("fom", DelegatingFloatColumn::new);
}
/**
* The mean heavy-atom amplitude for reflections for this
* derivative in this shell.
* @return FloatColumn
*/
public FloatColumn getHaAmpl() {
return delegate.getColumn("ha_ampl", DelegatingFloatColumn::new);
}
/**
* The mean lack-of-closure error loc for reflections for this
* derivative in this shell.
*
* loc = sum|Fph~obs~ - Fph~calc~|
*
* Fph~obs~ = the observed structure-factor amplitude of the
* derivative
* Fph~calc~ = the calculated structure-factor amplitude of the
* derivative
*
* sum is taken over the specified reflections
* @return FloatColumn
*/
public FloatColumn getLoc() {
return delegate.getColumn("loc", DelegatingFloatColumn::new);
}
/**
* The mean of the phase values for reflections for this
* derivative in this shell.
* @return FloatColumn
*/
public FloatColumn getPhase() {
return delegate.getColumn("phase", DelegatingFloatColumn::new);
}
/**
* The mean phasing power P for reflections for this derivative
* in this shell.
*
* 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 getPower() {
return delegate.getColumn("power", DelegatingFloatColumn::new);
}
/**
* Residual factor R~cullis~ for centric reflections for this
* derivative in this shell.
*
* 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 getRCullis() {
return delegate.getColumn("R_cullis", DelegatingFloatColumn::new);
}
/**
* Residual factor R~kraut~ for general reflections for this
* derivative in this shell.
*
* sum|Fph~obs~ - Fph~calc~|
* R~kraut~ = -------------------------
* sum|Fph~obs~|
*
* Fph~obs~ = the observed structure-factor amplitude of the
* derivative
* Fph~calc~ = the calculated structure-factor amplitude of the
* derivative
*
* sum is taken over the specified reflections
*
* Ref: Kraut, J., Sieker, L. C., High, D. F. & Freer, S. T.
* (1962). Proc. Natl Acad. Sci. USA, 48, 1417-1424.
* @return FloatColumn
*/
public FloatColumn getRKraut() {
return delegate.getColumn("R_kraut", DelegatingFloatColumn::new);
}
/**
* The number of reflections in this shell.
* @return IntColumn
*/
public IntColumn getReflns() {
return delegate.getColumn("reflns", DelegatingIntColumn::new);
}
/**
* record R Cullis obtained from centric data for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxRCullisCentric() {
return delegate.getColumn("pdbx_R_cullis_centric", DelegatingFloatColumn::new);
}
/**
* record R Cullis obtained from acentric data for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxRCullisAcentric() {
return delegate.getColumn("pdbx_R_cullis_acentric", DelegatingFloatColumn::new);
}
/**
* record R Kraut obtained from centric data for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxRKrautCentric() {
return delegate.getColumn("pdbx_R_kraut_centric", DelegatingFloatColumn::new);
}
/**
* record R Kraut obtained from acentric data for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxRKrautAcentric() {
return delegate.getColumn("pdbx_R_kraut_acentric", DelegatingFloatColumn::new);
}
/**
* record lack of closure obtained from centric data for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxLocCentric() {
return delegate.getColumn("pdbx_loc_centric", DelegatingFloatColumn::new);
}
/**
* record lack of closure obtained from acentric data for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxLocAcentric() {
return delegate.getColumn("pdbx_loc_acentric", DelegatingFloatColumn::new);
}
/**
* record phasing power obtained from centric data for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxPowerCentric() {
return delegate.getColumn("pdbx_power_centric", DelegatingFloatColumn::new);
}
/**
* record phasing power obtained from acentric data for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxPowerAcentric() {
return delegate.getColumn("pdbx_power_acentric", DelegatingFloatColumn::new);
}
/**
* record figure of merit obtained from centric data for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxFomCentric() {
return delegate.getColumn("pdbx_fom_centric", DelegatingFloatColumn::new);
}
/**
* record figure of merit obtained from acentric data for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxFomAcentric() {
return delegate.getColumn("pdbx_fom_acentric", DelegatingFloatColumn::new);
}
/**
* record number of centric reflections used for phasing for each
* derivative, but broken into resolution shells
* @return FloatColumn
*/
public FloatColumn getPdbxReflnsCentric() {
return delegate.getColumn("pdbx_reflns_centric", DelegatingFloatColumn::new);
}
/**
* record number of acentric reflections used for phasing for each
* derivative, but broken into resolution shells
* @return IntColumn
*/
public IntColumn getPdbxReflnsAcentric() {
return delegate.getColumn("pdbx_reflns_acentric", DelegatingIntColumn::new);
}
}
