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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 overall reflection
* measurement information.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class DiffrnReflns extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "diffrn_reflns";
public DiffrnReflns(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* The residual [sum av|del(I)| / sum |av(I)|] for symmetry-equivalent
* reflections used to calculate the average intensity av(I). The
* av|del(I)| term is the average absolute difference between av(I) and
* the individual symmetry-equivalent intensities.
* @return FloatColumn
*/
public FloatColumn getAvREquivalents() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_av_r_equivalents"));
}
/**
* Fraction of Laue group unique reflections (symmetry-independent in
* the Laue group) measured out to the resolution given in
* _diffrn_reflns.resolution_full or _diffrn_reflns.theta_full.
* The Laue group always contains a centre of symmetry so that
* the reflection h,k,l is always equivalent to the reflection
* -h,-k,-l even in space groups without a centre of symmetry.
* This number should not be less than 0.95, since it represents
* the fraction of reflections measured in the part of the
* diffraction pattern that is essentially complete.
* @return FloatColumn
*/
public FloatColumn getLaueMeasuredFractionFull() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_laue_measured_fraction_full"));
}
/**
* Fraction of Laue group unique reflections (symmetry-independent in
* the Laue group) measured out to the resolution given in
* _diffrn_reflns.resolution_max or _diffrn_reflns.theta_max.
* The Laue group always contains a centre of symmetry so that the
* reflection h,k,l is always equivalent to the reflection -h,-k,-l
* even in space groups without a centre of symmetry.
* @return FloatColumn
*/
public FloatColumn getLaueMeasuredFractionMax() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_laue_measured_fraction_max"));
}
/**
* The index of a reciprocal space vector.
* @return IntColumn
*/
public IntColumn getLimitHMax() {
return new DelegatingIntColumn(parentBlock.getColumn("diffrn_reflns_limit_h_max"));
}
/**
* The index of a reciprocal space vector.
* @return IntColumn
*/
public IntColumn getLimitHMin() {
return new DelegatingIntColumn(parentBlock.getColumn("diffrn_reflns_limit_h_min"));
}
/**
* The index of a reciprocal space vector.
* @return IntColumn
*/
public IntColumn getLimitKMax() {
return new DelegatingIntColumn(parentBlock.getColumn("diffrn_reflns_limit_k_max"));
}
/**
* The index of a reciprocal space vector.
* @return IntColumn
*/
public IntColumn getLimitKMin() {
return new DelegatingIntColumn(parentBlock.getColumn("diffrn_reflns_limit_k_min"));
}
/**
* The index of a reciprocal space vector.
* @return IntColumn
*/
public IntColumn getLimitLMax() {
return new DelegatingIntColumn(parentBlock.getColumn("diffrn_reflns_limit_l_max"));
}
/**
* The index of a reciprocal space vector.
* @return IntColumn
*/
public IntColumn getLimitLMin() {
return new DelegatingIntColumn(parentBlock.getColumn("diffrn_reflns_limit_l_min"));
}
/**
* Maximum Miller indices of measured diffraction reflections.
* @return FloatColumn
*/
public FloatColumn getLimitMax() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_limit_max"));
}
/**
* Minimum Miller indices of measured diffraction reflections.
* @return FloatColumn
*/
public FloatColumn getLimitMin() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_limit_min"));
}
/**
* Total number of measured intensities, excluding reflections that are
* classed as systematically absent arising from translational symmetry
* in the crystal unit cell.
* @return IntColumn
*/
public IntColumn getNumber() {
return new DelegatingIntColumn(parentBlock.getColumn("diffrn_reflns_number"));
}
/**
* Fraction of crystal point-group unique reflections (i.e.
* symmetry-independent in the crystal point group) measured
* out to the resolution given in _diffrn_reflns.resolution_full
* or _diffrn_reflns.theta_full. For space groups that do not
* contain a centre of symmetry the reflections h,k,l and
* -h,-k,-l are independent. This number should not be less
* than 0.95, since it represents the fraction of reflections
* measured in the part of the diffraction pattern that is
* essentially complete.
* @return FloatColumn
*/
public FloatColumn getPointMeasuredFractionFull() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_point_measured_fraction_full"));
}
/**
* Fraction of crystal point-group unique reflections (i.e.
* symmetry-independent in the crystal point group) measured
* out to the resolution given in _diffrn_reflns.resolution_max
* or _diffrn_reflns.theta_max. For space groups that do not
* contain a centre of symmetry the reflections h,k,l and
* -h,-k,-l are independent.
* @return FloatColumn
*/
public FloatColumn getPointMeasuredFractionMax() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_point_measured_fraction_max"));
}
/**
* How intensities were reduced to structure-factor magnitudes.
* @return StrColumn
*/
public StrColumn getReductionProcess() {
return new DelegatingStrColumn(parentBlock.getColumn("diffrn_reflns_reduction_process"));
}
/**
* The resolution at which the measured reflection count is close
* to complete. The fraction of unique reflections measured out
* to this angle is given by _diffrn.measured_fraction_theta_full.
* @return FloatColumn
*/
public FloatColumn getResolutionFull() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_resolution_full"));
}
/**
* Maximum resolution of the measured diffraction pattern.
* The fraction of unique reflections measured out to this angle
* is given by _diffrn.measured_fraction_theta_max.
* @return FloatColumn
*/
public FloatColumn getResolutionMax() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_resolution_max"));
}
/**
* Theta angle at which the count of measured reflections is almost
* complete. The fraction of unique reflections measured out to
* this angle is given by _diffrn.measured_fraction_theta_full.
* @return FloatColumn
*/
public FloatColumn getThetaFull() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_theta_full"));
}
/**
* Maximum theta angle of the measured reflections.
* @return FloatColumn
*/
public FloatColumn getThetaMax() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_theta_max"));
}
/**
* Minimum theta angle of the measured reflections.
* @return FloatColumn
*/
public FloatColumn getThetaMin() {
return new DelegatingFloatColumn(parentBlock.getColumn("diffrn_reflns_theta_min"));
}
/**
* Recorded [sum |su(netI)| / sum |netI|] for all measured reflections.
* @return FloatColumn
*/
public FloatColumn getAvUnetI_netI() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_av_unetI/netI", "diffrn_reflns_av_sigmaI_over_netI", "diffrn_reflns_av_suneti_over_neti"));
}
/**
* Recorded [sum |su(netI)| / sum |netI|] for all measured reflections.
* @return FloatColumn
*/
public FloatColumn getAvSigmaIOverNetI() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_av_unetI/netI", "diffrn_reflns_av_sigmaI_over_netI", "diffrn_reflns_av_suneti_over_neti"));
}
/**
* Recorded [sum |su(netI)| / sum |netI|] for all measured reflections.
* @return FloatColumn
*/
public FloatColumn getAvSunetiOverNeti() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_av_unetI/netI", "diffrn_reflns_av_sigmaI_over_netI", "diffrn_reflns_av_suneti_over_neti"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn getTransfMatrix11() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[1][1]", "diffrn_reflns_transf_matrix_11"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn get_11() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[1][1]", "diffrn_reflns_transf_matrix_11"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn getTransfMatrix12() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[1][2]", "diffrn_reflns_transf_matrix_12"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn get_12() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[1][2]", "diffrn_reflns_transf_matrix_12"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn getTransfMatrix13() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[1][3]", "diffrn_reflns_transf_matrix_13"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn get_13() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[1][3]", "diffrn_reflns_transf_matrix_13"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn getTransfMatrix21() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[2][1]", "diffrn_reflns_transf_matrix_21"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn get_21() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[2][1]", "diffrn_reflns_transf_matrix_21"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn getTransfMatrix22() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[2][2]", "diffrn_reflns_transf_matrix_22"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn get_22() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[2][2]", "diffrn_reflns_transf_matrix_22"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn getTransfMatrix23() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[2][3]", "diffrn_reflns_transf_matrix_23"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn get_23() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[2][3]", "diffrn_reflns_transf_matrix_23"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn getTransfMatrix31() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[3][1]", "diffrn_reflns_transf_matrix_31"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn get_31() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[3][1]", "diffrn_reflns_transf_matrix_31"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn getTransfMatrix32() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[3][2]", "diffrn_reflns_transf_matrix_32"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn get_32() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[3][2]", "diffrn_reflns_transf_matrix_32"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn getTransfMatrix33() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[3][3]", "diffrn_reflns_transf_matrix_33"));
}
/**
* The set of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* @return FloatColumn
*/
public FloatColumn get_33() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("diffrn_reflns_transf_matrix[3][3]", "diffrn_reflns_transf_matrix_33"));
}
}
