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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 which specify the information about
* reflections divided into shells bounded by d resolution limits.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class ReflnsShell extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "reflns_shell";
public ReflnsShell(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* Highest resolution for the reflections in this shell.
* This corresponds to the smallest interplanar d value.
* @return FloatColumn
*/
public FloatColumn getDResHigh() {
return new DelegatingFloatColumn(parentBlock.getColumn("reflns_shell_d_res_high"));
}
/**
* Resolution for the reflections in this shell stored as
* the list of lowest and highest values. This is the
* category key.
* @return FloatColumn
*/
public FloatColumn getDResLimits() {
return new DelegatingFloatColumn(parentBlock.getColumn("reflns_shell_d_res_limits"));
}
/**
* Lowest resolution for the reflections in this shell.
* This corresponds to the largest interplanar d value.
* @return FloatColumn
*/
public FloatColumn getDResLow() {
return new DelegatingFloatColumn(parentBlock.getColumn("reflns_shell_d_res_low"));
}
/**
* Total count of reflections measured for this resolution shell.
* @return IntColumn
*/
public IntColumn getNumberMeasuredAll() {
return new DelegatingIntColumn(parentBlock.getColumn("reflns_shell_number_measured_all"));
}
/**
* Count of symmetry-unique reflections present in this reflection shell.
* @return IntColumn
*/
public IntColumn getNumberUniqueAll() {
return new DelegatingIntColumn(parentBlock.getColumn("reflns_shell_number_unique_all"));
}
/**
* Percentage of reflections present in this shell over that possible.
* @return FloatColumn
*/
public FloatColumn getPercentPossibleAll() {
return new DelegatingFloatColumn(parentBlock.getColumn("reflns_shell_percent_possible_all"));
}
/**
* Rmerge(F) for all reflections in a given shell.
*
* sum~i~ ( sum~j~ | F~j~ - <F> | )
* Rmerge(F) = --------------------------------
* sum~i~ ( sum~j~ <F> )
*
* F~j~ = the amplitude of the jth observation of reflection i
* <F> = the mean of the amplitudes of all observations of
* reflection i
*
* sum~i~ is taken over all reflections
* sum~j~ is taken over all observations of each reflection.
* @return FloatColumn
*/
public FloatColumn getRmergeFAll() {
return new DelegatingFloatColumn(parentBlock.getColumn("reflns_shell_rmerge_f_all"));
}
/**
* Rmerge(I) for all reflections in a given shell.
*
* sum~i~ ( sum~j~ | I~j~ - <I> | )
* Rmerge(I) = --------------------------------
* sum~i~ ( sum~j~ <I> )
*
* I~j~ = the intensity of the jth observation of reflection i
* <I> = the mean of the intensities of all observations of
* reflection i
*
* sum~i~ is taken over all reflections
* sum~j~ is taken over all observations of each reflection.
* @return FloatColumn
*/
public FloatColumn getRmergeIAll() {
return new DelegatingFloatColumn(parentBlock.getColumn("reflns_shell_rmerge_i_all"));
}
/**
* Ratio of the mean intensity in a shell to the mean standard uncertainty
* of the intensities in the shell.
* @return FloatColumn
*/
public FloatColumn getMeanIOverSigIAll() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_all", "reflns_shell_meanI_over_uI_all", "reflns_shell_meani_over_sui_all"));
}
/**
* Ratio of the mean intensity in a shell to the mean standard uncertainty
* of the intensities in the shell.
* @return FloatColumn
*/
public FloatColumn getMeanIOverUIAll() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_all", "reflns_shell_meanI_over_uI_all", "reflns_shell_meani_over_sui_all"));
}
/**
* Ratio of the mean intensity in a shell to the mean standard uncertainty
* of the intensities in the shell.
* @return FloatColumn
*/
public FloatColumn getMeaniOverSuiAll() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_all", "reflns_shell_meanI_over_uI_all", "reflns_shell_meani_over_sui_all"));
}
/**
* Ratio of the mean intensity of significantly intense reflections (see
* _reflns.threshold_expression) in this shell to the mean standard
* uncertainty of the intensities in the shell.
* @return FloatColumn
*/
public FloatColumn getMeanIOverSigIObs() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meani_over_sui_gt"));
}
/**
* Ratio of the mean intensity of significantly intense reflections (see
* _reflns.threshold_expression) in this shell to the mean standard
* uncertainty of the intensities in the shell.
* @return FloatColumn
*/
public FloatColumn getMeanIOverSigIGt() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meani_over_sui_gt"));
}
/**
* Ratio of the mean intensity of significantly intense reflections (see
* _reflns.threshold_expression) in this shell to the mean standard
* uncertainty of the intensities in the shell.
* @return FloatColumn
*/
public FloatColumn getMeanIOverUIGt() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meani_over_sui_gt"));
}
/**
* Ratio of the mean intensity of significantly intense reflections (see
* _reflns.threshold_expression) in this shell to the mean standard
* uncertainty of the intensities in the shell.
* @return FloatColumn
*/
public FloatColumn getMeaniOverSuiGt() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_meanI_over_sigI_obs", "reflns_shell_meanI_over_sigI_gt", "reflns_shell_meanI_over_uI_gt", "reflns_shell_meani_over_sui_gt"));
}
/**
* Number of reflections measured for this resolution shell which are
* significantly intense (see _reflns.threshold_expression).
* @return IntColumn
*/
public IntColumn getNumberMeasuredObs() {
return new DelegatingIntColumn(parentBlock.getAliasedColumn("reflns_shell_number_measured_obs", "reflns_shell_number_measured_gt"));
}
/**
* Number of reflections measured for this resolution shell which are
* significantly intense (see _reflns.threshold_expression).
* @return IntColumn
*/
public IntColumn getNumberMeasuredGt() {
return new DelegatingIntColumn(parentBlock.getAliasedColumn("reflns_shell_number_measured_obs", "reflns_shell_number_measured_gt"));
}
/**
* Count of symmetry-unique reflections possible in this reflection shell.
* @return IntColumn
*/
public IntColumn getNumberPossibleAll() {
return new DelegatingIntColumn(parentBlock.getAliasedColumn("reflns_shell_number_possible_all", "reflns_shell_number_possible"));
}
/**
* Count of symmetry-unique reflections possible in this reflection shell.
* @return IntColumn
*/
public IntColumn getNumberPossible() {
return new DelegatingIntColumn(parentBlock.getAliasedColumn("reflns_shell_number_possible_all", "reflns_shell_number_possible"));
}
/**
* Number of symmetry-unique reflections present in this reflection shell
* which are significantly intense (see _reflns.threshold_expression).
* @return IntColumn
*/
public IntColumn getNumberUniqueObs() {
return new DelegatingIntColumn(parentBlock.getAliasedColumn("reflns_shell_number_unique_obs", "reflns_shell_number_unique_gt"));
}
/**
* Number of symmetry-unique reflections present in this reflection shell
* which are significantly intense (see _reflns.threshold_expression).
* @return IntColumn
*/
public IntColumn getNumberUniqueGt() {
return new DelegatingIntColumn(parentBlock.getAliasedColumn("reflns_shell_number_unique_obs", "reflns_shell_number_unique_gt"));
}
/**
* Percentage of reflections present in this shell which are significantly
* intense (see _reflns.threshold_expression), over that possible.
* @return FloatColumn
*/
public FloatColumn getPercentPossibleObs() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_percent_possible_obs", "reflns_shell_percent_possible_gt"));
}
/**
* Percentage of reflections present in this shell which are significantly
* intense (see _reflns.threshold_expression), over that possible.
* @return FloatColumn
*/
public FloatColumn getPercentPossibleGt() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_percent_possible_obs", "reflns_shell_percent_possible_gt"));
}
/**
* Rmerge(F) for reflections in a shell which are significantly intense
* (see _reflns.threshold_expression). The residual merge expression is
* shown in the _reflns_shell.Rmerge_F_all definition.
* @return FloatColumn
*/
public FloatColumn getRmergeFObs() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_F_obs", "reflns_shell_rmerge_f_gt"));
}
/**
* Rmerge(F) for reflections in a shell which are significantly intense
* (see _reflns.threshold_expression). The residual merge expression is
* shown in the _reflns_shell.Rmerge_F_all definition.
* @return FloatColumn
*/
public FloatColumn getRmergeFGt() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_F_obs", "reflns_shell_rmerge_f_gt"));
}
/**
* Rmerge(I) for reflections in a shell which are significantly intense
* (see _reflns.threshold_expression). The residual merge expression is
* shown in the _reflns_shell.Rmerge_I_all definition.
* @return FloatColumn
*/
public FloatColumn getRmergeIObs() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_I_obs", "reflns_shell_rmerge_i_gt"));
}
/**
* Rmerge(I) for reflections in a shell which are significantly intense
* (see _reflns.threshold_expression). The residual merge expression is
* shown in the _reflns_shell.Rmerge_I_all definition.
* @return FloatColumn
*/
public FloatColumn getRmergeIGt() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("reflns_shell_Rmerge_I_obs", "reflns_shell_rmerge_i_gt"));
}
}
