FloatColumn |
PdbxDataProcessingCell.getA() |
Unit cell length A
|
FloatColumn |
Exptl.getAbsorptCoefficientMu() |
The absorption coefficient mu in reciprocal millimetres
calculated from the atomic content of the cell, the density and
the radiation wavelength.
|
FloatColumn |
Exptl.getAbsorptCorrectionTMax() |
The maximum transmission factor for the crystal and radiation.
|
FloatColumn |
Exptl.getAbsorptCorrectionTMin() |
The minimum transmission factor for the crystal and radiation.
|
FloatColumn |
Refln.getACalc() |
The calculated value of structure-factor component A in
electrons.
|
FloatColumn |
Refln.getACalcAu() |
The calculated value of structure-factor component A in
arbitrary units.
|
FloatColumn |
Em3dReconstruction.getActualPixelSize() |
The actual pixel size of projection set of images.
|
FloatColumn |
PdbxDccGeometry.getAllAtomClashscore() |
All atom score is determined by steric overlaps >0.4A per 1000
atoms.
|
FloatColumn |
PdbxDataProcessingCell.getAlpha() |
Unit cell angle alpha.
|
FloatColumn |
StructMonNucl.getAlpha() |
The value in degrees of the backbone torsion angle alpha
(O3'-P-O5'-C5').
|
FloatColumn |
PdbxDataProcessingCell.getAlphaTolerance() |
Tolerance in unit cell angle alpha.
|
FloatColumn |
Diffrn.getAmbientPressure() |
The mean hydrostatic pressure in kilopascals at which the
intensities were measured.
|
FloatColumn |
Diffrn.getAmbientPressureEsd() |
The estimated standard deviation of _diffrn.ambient_pressure.
|
FloatColumn |
Diffrn.getAmbientPressureGt() |
The mean hydrostatic pressure in kilopascals above which
the intensities were measured.
|
FloatColumn |
Diffrn.getAmbientPressureLt() |
The mean hydrostatic pressure in kilopascals below which
the intensities were measured.
|
FloatColumn |
Diffrn.getAmbientTemp() |
The mean temperature in kelvins at which the intensities were
measured.
|
FloatColumn |
Diffrn.getAmbientTempEsd() |
The standard uncertainty (estimated standard deviation)
of _diffrn.ambient_temp.
|
FloatColumn |
Diffrn.getAmbientTempGt() |
The mean temperature in kelvins above which the intensities were
measured.
|
FloatColumn |
Diffrn.getAmbientTempLt() |
The mean temperature in kelvins below which the intensities were
measured.
|
FloatColumn |
Refln.getAMeas() |
The measured value of structure-factor component A in electrons.
|
FloatColumn |
Refln.getAMeasAu() |
The measured value of structure-factor component A in
arbitrary units.
|
FloatColumn |
EmCtfCorrection.getAmplitudeCorrectionFactor() |
Amplitude correction factor used in CTF correction
|
FloatColumn |
AtomType.getAnalyticalMassPercent() |
Mass percentage of this atom type derived from chemical analysis.
|
FloatColumn |
ChemCompTorValue.getAngle() |
A value that should be taken as a potential target value for the
torsion angle associated with the specified atoms, expressed in
degrees.
|
FloatColumn |
ChemLinkTorValue.getAngle() |
A value that should be taken as a potential target value for the
torsion angle associated with the specified atoms, expressed in
degrees.
|
FloatColumn |
EmShadowing.getAngle() |
The shadowing angle (degrees)
|
FloatColumn |
PdbxValAngle.getAngle() |
Value of the angle deviating by more than 6*RMSD from
the expected dictionary value.
|
FloatColumn |
Cell.getAngleAlpha() |
Unit-cell angle alpha of the reported structure in degrees.
|
FloatColumn |
Em3dCrystalEntity.getAngleAlpha() |
Unit-cell angle alpha in degrees.
|
FloatColumn |
Cell.getAngleAlphaEsd() |
The standard uncertainty (estimated standard deviation)
of _cell.angle_alpha.
|
FloatColumn |
Cell.getAngleBeta() |
Unit-cell angle beta of the reported structure in degrees.
|
FloatColumn |
Em3dCrystalEntity.getAngleBeta() |
Unit-cell angle beta in degrees.
|
FloatColumn |
Cell.getAngleBetaEsd() |
The standard uncertainty (estimated standard deviation)
of _cell.angle_beta.
|
FloatColumn |
DiffrnOrientRefln.getAngleChi() |
Diffractometer angle chi of a reflection used to
define the orientation matrix in degrees.
|
FloatColumn |
DiffrnRefln.getAngleChi() |
The diffractometer angle chi of a reflection in degrees.
|
FloatColumn |
PdbxValAngle.getAngleDeviation() |
Value of the deviation (in degrees) from 6*RMSD for
the angle bounded by the three sites from the expected
dictionary value
|
FloatColumn |
PdbxValidateRmsdAngle.getAngleDeviation() |
Value of the deviation (in degrees) from 6*REBI for the angle bounded
by the three sites from the expected dictionary value.
|
FloatColumn |
GeomHbond.getAngleDHA() |
The angle in degrees defined by the donor-, hydrogen- and
acceptor-atom sites in a hydrogen bond.
|
FloatColumn |
GeomHbond.getAngleDHAEsd() |
The standard uncertainty (estimated standard deviation)
of _geom_hbond.angle_DHA.
|
FloatColumn |
ChemCompTorValue.getAngleEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_comp_tor_value.angle.
|
FloatColumn |
ChemLinkTorValue.getAngleEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_link_tor_value.angle.
|
FloatColumn |
Cell.getAngleGamma() |
Unit-cell angle gamma of the reported structure in degrees.
|
FloatColumn |
Em2dCrystalEntity.getAngleGamma() |
Unit-cell angle gamma in degrees.
|
FloatColumn |
Em3dCrystalEntity.getAngleGamma() |
Unit-cell angle gamma in degrees.
|
FloatColumn |
Cell.getAngleGammaEsd() |
The standard uncertainty (estimated standard deviation)
of _cell.angle_gamma.
|
FloatColumn |
DiffrnOrientRefln.getAngleKappa() |
Diffractometer angle kappa of a reflection used to
define the orientation matrix in degrees.
|
FloatColumn |
DiffrnRefln.getAngleKappa() |
The diffractometer angle kappa of a reflection in degrees.
|
FloatColumn |
PdbxDccGeometry.getAngleLigandMax() |
The maximum root mean square deviation for bond angles (ligand only).
|
FloatColumn |
PdbxDccGeometry.getAngleLigandRms() |
The overall root mean square deviation for bond angles (ligand only).
|
FloatColumn |
IhmDerivedAngleRestraint.getAngleLowerLimit() |
The lower limit to the threshold applied to this angle restraint
in the integrative modeling task.
|
FloatColumn |
IhmDerivedAngleRestraint.getAngleLowerLimitEsd() |
The estimated standard deviation of the lower limit angle threshold applied.
|
FloatColumn |
DiffrnOrientRefln.getAngleOmega() |
Diffractometer angle omega of a reflection used to
define the orientation matrix in degrees.
|
FloatColumn |
DiffrnRefln.getAngleOmega() |
The diffractometer angle omega of a reflection in degrees.
|
FloatColumn |
PdbxStereochemistry.getAngleOutOfPlane() |
Out-of-plane angle for neighbor W
|
FloatColumn |
PdbxDccGeometry.getAngleOverallMax() |
The maximum root mean square deviation for bond angles (all atoms).
|
FloatColumn |
PdbxDccGeometry.getAngleOverallRms() |
The overall root mean square deviation for bond angles (all atoms).
|
FloatColumn |
DiffrnOrientRefln.getAnglePhi() |
Diffractometer angle phi of a reflection used to
define the orientation matrix in degrees.
|
FloatColumn |
DiffrnRefln.getAnglePhi() |
The diffractometer angle phi of a reflection in degrees.
|
FloatColumn |
DiffrnOrientRefln.getAnglePsi() |
Diffractometer angle psi of a reflection used to
define the orientation matrix in degrees.
|
FloatColumn |
DiffrnRefln.getAnglePsi() |
The diffractometer angle psi of a reflection in degrees.
|
FloatColumn |
PdbxValidateRmsdAngle.getAngleStandardDeviation() |
The uncertainty in the target value of the bond angle expressed as a standard deviation.
|
FloatColumn |
PdbxValidateRmsdAngle.getAngleTargetValue() |
The target value of the bond angle
|
FloatColumn |
DiffrnOrientRefln.getAngleTheta() |
Diffractometer angle theta of a reflection used to
define the orientation matrix in degrees.
|
FloatColumn |
DiffrnRefln.getAngleTheta() |
The diffractometer angle theta of a reflection in degrees.
|
FloatColumn |
IhmDerivedAngleRestraint.getAngleThresholdEsd() |
The estimated standard deviation of the angle threshold applied to the restraint.
|
FloatColumn |
IhmDerivedAngleRestraint.getAngleThresholdMean() |
The angle threshold mean applied to the restraint.
|
FloatColumn |
IhmDerivedAngleRestraint.getAngleUpperLimit() |
The upper limit to the threshold applied to this angle restraint
in the integrative modeling task.
|
FloatColumn |
IhmDerivedAngleRestraint.getAngleUpperLimitEsd() |
The estimated standard deviation of the upper limit angle threshold applied.
|
FloatColumn |
PdbxValidateRmsdAngle.getAngleValue() |
The value of the bond angle
|
FloatColumn |
EmHelicalEntity.getAngularRotationPerSubunit() |
The angular rotation per helical subunit in degrees.
|
FloatColumn |
AtomSite.getAnisoB11() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
Refine.getAnisoB11() |
The elements of the matrix that defines the overall
anisotropic displacement model if one was refined for this
structure.
|
FloatColumn |
AtomSite.getAnisoB11Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_B.
|
FloatColumn |
AtomSite.getAnisoB12() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
Refine.getAnisoB12() |
The elements of the matrix that defines the overall
anisotropic displacement model if one was refined for this
structure.
|
FloatColumn |
AtomSite.getAnisoB12Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_B.
|
FloatColumn |
AtomSite.getAnisoB13() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
Refine.getAnisoB13() |
The elements of the matrix that defines the overall
anisotropic displacement model if one was refined for this
structure.
|
FloatColumn |
AtomSite.getAnisoB13Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_B.
|
FloatColumn |
AtomSite.getAnisoB22() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
Refine.getAnisoB22() |
The elements of the matrix that defines the overall
anisotropic displacement model if one was refined for this
structure.
|
FloatColumn |
AtomSite.getAnisoB22Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_B.
|
FloatColumn |
AtomSite.getAnisoB23() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
Refine.getAnisoB23() |
The elements of the matrix that defines the overall
anisotropic displacement model if one was refined for this
structure.
|
FloatColumn |
AtomSite.getAnisoB23Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_B.
|
FloatColumn |
AtomSite.getAnisoB33() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
Refine.getAnisoB33() |
The elements of the matrix that defines the overall
anisotropic displacement model if one was refined for this
structure.
|
FloatColumn |
AtomSite.getAnisoB33Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_B.
|
FloatColumn |
AtomSite.getAnisoRatio() |
Ratio of the maximum to minimum principal axes of
displacement (thermal) ellipsoids.
|
FloatColumn |
PdbxDccDensity.getAnisotropy() |
The anisotropy ( [MaxAnisoB-MinAnisoB]/[MaxAnisoB] ) calculated
by Xtriage.
|
FloatColumn |
AtomSite.getAnisoU11() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSite.getAnisoU11Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_U.
|
FloatColumn |
AtomSite.getAnisoU12() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSite.getAnisoU12Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_U.
|
FloatColumn |
AtomSite.getAnisoU13() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSite.getAnisoU13Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_U.
|
FloatColumn |
AtomSite.getAnisoU22() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSite.getAnisoU22Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_U.
|
FloatColumn |
AtomSite.getAnisoU23() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSite.getAnisoU23Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_U.
|
FloatColumn |
AtomSite.getAnisoU33() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSite.getAnisoU33Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.aniso_U.
|
FloatColumn |
DiffrnDetector.getAreaResolMean() |
The resolution of an area detector, in pixels/mm.
|
FloatColumn |
PdbxDataProcessingCell.getATolerance() |
Tolerance in unit cell length A
|
FloatColumn |
PdbxValidatePlanesAtom.getAtomDeviation() |
The deviation from the plane per atom
|
FloatColumn |
PdbxNmrEnsemble.getAverageDistanceConstraintViolation() |
The average distance restraint violation for the ensemble.
|
FloatColumn |
EmImageRecording.getAverageExposureTime() |
The average exposure time for each image.
|
FloatColumn |
PdbxNmrEnsemble.getAverageTorsionAngleConstraintViolation() |
The average torsion angle constraint violation for the ensemble.
|
FloatColumn |
EmImageRecording.getAvgElectronDosePerImage() |
The electron dose received by the specimen per image (electrons per square angstrom).
|
FloatColumn |
DiffrnReflnsClass.getAvREq() |
For each reflection class, the residual
[sum av|del(I)|/sum|av(I)|] for symmetry-equivalent reflections
used to calculate the average intensity av(I).
|
FloatColumn |
DiffrnReflns.getAvREquivalents() |
The residual [sum|avdel(I)| / sum|av(I)|] for symmetry-equivalent
reflections used to calculate the average intensity av(I).
|
FloatColumn |
DiffrnReflnsClass.getAvSgI_I() |
Measure [sum|sigma(net I)|/sum|net I|] for all measured intensities
in a reflection class.
|
FloatColumn |
DiffrnReflns.getAvSigmaIOverNetI() |
Measure [sum|sigma(I)|/sum|net(I)|] for all measured reflections.
|
FloatColumn |
DiffrnReflnsClass.getAvUI_I() |
Measure [sum|u(net I)|/sum|net I|] for all measured intensities
in a reflection class.
|
FloatColumn |
DiffrnReflns.getAvUnetI_netI() |
Measure [sum u(net I)|/sum|net I|] for all measured reflections.
|
FloatColumn |
EmHelicalEntity.getAxialRisePerSubunit() |
The axial rise per subunit in the helical assembly.
|
FloatColumn |
EmTomography.getAxis1AngleIncrement() |
The angle increment of specimen tilting to obtain the
recorded images (axis 1).
|
FloatColumn |
EmTomography.getAxis1MaxAngle() |
The maximum angle at which the specimen was tilted to obtain
recorded images (axis 1).
|
FloatColumn |
EmTomography.getAxis1MinAngle() |
The minimum angle at which the specimen was tilted to obtain
recorded images (axis 1).
|
FloatColumn |
EmTomography.getAxis2AngleIncrement() |
The angle increment of specimen tilting to obtain the
recorded images (axis 1).
|
FloatColumn |
EmTomography.getAxis2MaxAngle() |
The maximum angle at which the specimen was tilted to obtain
recorded images (axis 1).
|
FloatColumn |
EmTomography.getAxis2MinAngle() |
The minimum angle at which the specimen was tilted to obtain
recorded images (axis 1).
|
FloatColumn |
PdbxDataProcessingCell.getB() |
Unit cell length B
|
FloatColumn |
ValenceParam.getB() |
The bond-valence parameter B used in the expression
s = exp[(Ro - R)/B]
where s is the valence of a bond of length R.
|
FloatColumn |
AtomSiteAnisotrop.getB11() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getB11Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.B.
|
FloatColumn |
AtomSiteAnisotrop.getB12() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getB12Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.B.
|
FloatColumn |
AtomSiteAnisotrop.getB13() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getB13Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.B.
|
FloatColumn |
AtomSiteAnisotrop.getB22() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getB22Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.B.
|
FloatColumn |
AtomSiteAnisotrop.getB23() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getB23Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.B.
|
FloatColumn |
AtomSiteAnisotrop.getB33() |
The elements of the anisotropic atomic displacement
matrix B, which appears in the structure-factor term as:
T = exp{-1/4 sum~i~[sum~j~(B^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getB33Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.B.
|
FloatColumn |
Refln.getBCalc() |
The calculated value of structure-factor component B in
electrons.
|
FloatColumn |
Refln.getBCalcAu() |
The calculated value of structure-factor component B in
arbitrary units.
|
FloatColumn |
PdbxDataProcessingDetector.getBeamPositionX() |
The sample position in the beam in the X direction.
|
FloatColumn |
PdbxDataProcessingDetector.getBeamPositionY() |
The sample position in the beam in the Y direction.
|
FloatColumn |
AtomSite.getBEquivGeomMean() |
Equivalent isotropic atomic displacement parameter, B~eq~,
in angstroms squared, calculated as the geometric mean of
the anisotropic atomic displacement parameters.
|
FloatColumn |
AtomSite.getBEquivGeomMeanEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.B_equiv_geom_mean.
|
FloatColumn |
PdbxDataProcessingCell.getBeta() |
Unit cell angle beta.
|
FloatColumn |
StructMonNucl.getBeta() |
The value in degrees of the backbone torsion angle beta
(P-O5'-C5'-C4').
|
FloatColumn |
PdbxDataProcessingCell.getBetaTolerance() |
Tolerance in unit cell angle beta.
|
FloatColumn |
PdbxPhasingMADSetSite.getBIso() |
_pdbx_phasing_MAD_set_site.b_iso records isotropic
temperature factor parameterthe for the site
obtained from MAD phasing.
|
FloatColumn |
PdbxRefineComponent.getBIso() |
The average isotropic B factors for the group of atoms
(e.g.
|
FloatColumn |
PhasingMIRDerSite.getBIso() |
Isotropic displacement parameter for this heavy-atom site in this
derivative.
|
FloatColumn |
PdbxPhasingMADSetSite.getBIsoEsd() |
_pdbx_phasing_MAD_set_site.b_iso_esd records estimated
standard deviation of isotropic
temperature factor parameterthe for the site
obtained from MAD phasing.
|
FloatColumn |
PhasingMIRDerSite.getBIsoEsd() |
The standard uncertainty (estimated standard deviation)
of _phasing_MIR_der_site.B_iso.
|
FloatColumn |
PdbxRefineComponent.getBIsoMainChain() |
The average isotropic B factors for the group of atoms
(e.g.
|
FloatColumn |
PdbxDccDensity.getBisoMax() |
The maximum isotropic B factor reported in the model file.
|
FloatColumn |
Refine.getBIsoMax() |
The maximum isotropic displacement parameter (B value)
found in the coordinate set.
|
FloatColumn |
PdbxDccDensity.getBisoMean() |
The occupancy weighted mean isotropic B factor reported in the
model file.
|
FloatColumn |
PdbxDccMap.getBisoMean() |
The occupancy weighted average isotropic B factors for the residue.
|
FloatColumn |
PdbxDccRsccMapman.getBisoMean() |
The occupancy weighted average isotropic B factors for the residue.
|
FloatColumn |
Refine.getBIsoMean() |
The mean isotropic displacement parameter (B value)
for the coordinate set.
|
FloatColumn |
PdbxDccMap.getBisoMeanMainChain() |
The occupancy weighted average isotropic B factors for the main chain atoms.
|
FloatColumn |
PdbxDccMap.getBisoMeanPhosphateGroup() |
The occupancy weighted average isotropic B factors for the phosphate atoms.
|
FloatColumn |
PdbxDccMap.getBisoMeanSideChain() |
The occupancy weighted average isotropic B factors for the side chain atoms.
|
FloatColumn |
PdbxDccDensity.getBisoMin() |
The minimum isotropic B factor reported in the model file.
|
FloatColumn |
Refine.getBIsoMin() |
The minimum isotropic displacement parameter (B value)
found in the coordinate set.
|
FloatColumn |
AtomSite.getBIsoOrEquiv() |
Isotropic atomic displacement parameter, or equivalent isotropic
atomic displacement parameter, B~eq~, calculated from the
anisotropic displacement parameters.
|
FloatColumn |
IhmStartingModelCoord.getBIsoOrEquiv() |
The isotropic temperature factor corresponding to this coordinate position.
|
FloatColumn |
AtomSite.getBIsoOrEquivEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.B_iso_or_equiv.
|
FloatColumn |
PdbxRefineComponent.getBIsoSideChain() |
The average isotropic B factors for the group of atoms
(e.g.
|
FloatColumn |
Reflns.getBIsoWilsonEstimate() |
The value of the overall isotropic displacement parameter
estimated from the slope of the Wilson plot.
|
FloatColumn |
PdbxDccDensity.getBmean_Bwilson() |
The difference between the isotropic B factor and the Bfators
from Wilson plot.
|
FloatColumn |
Refln.getBMeas() |
The measured value of structure-factor component B in electrons.
|
FloatColumn |
Refln.getBMeasAu() |
The measured value of structure-factor component B in
arbitrary units.
|
FloatColumn |
PdbxValBond.getBond() |
The value of the bond distance deviating by more than
6*RMSD from the standard dictionary value.
|
FloatColumn |
PdbxNmrEnsembleRms.getBondAngleRmsDev() |
The bond angle rmsd to the target values for the ensemble.
|
FloatColumn |
PdbxNmrEnsembleRms.getBondAngleRmsDevError() |
The error in the bond angle rmsd.
|
FloatColumn |
PdbxValBond.getBondDeviation() |
The value of the deviation from ideal
for the defined covalent bond for the two atoms defined.
|
FloatColumn |
PdbxValidateRmsdBond.getBondDeviation() |
The value of the deviation from ideal for the defined covalent
bond for the two atoms defined.
|
FloatColumn |
PdbxDccGeometry.getBondLigandMax() |
The maximum root mean square deviation for bond lengths (ligand only).
|
FloatColumn |
PdbxDccGeometry.getBondLigandRms() |
The overall root mean square deviation for bond lengths (ligand only).
|
FloatColumn |
PdbxDccGeometry.getBondOverallMax() |
The maximum root mean square deviation for bond lengths (all atoms).
|
FloatColumn |
PdbxDccGeometry.getBondOverallRms() |
The overall root mean square deviation for bond lengths (all atoms).
|
FloatColumn |
PdbxValidateRmsdBond.getBondStandardDeviation() |
The uncertaintiy in target value of the bond length expressed as a standard deviation.
|
FloatColumn |
PdbxValidateRmsdBond.getBondTargetValue() |
The target value of the bond length
|
FloatColumn |
PdbxValidateRmsdBond.getBondValue() |
The value of the bond length
|
FloatColumn |
PdbxDccDensity.getBSolvent() |
One of the scale factors used in the bulk solvent correction
(from REFMAC).
|
FloatColumn |
PdbxDataProcessingCell.getBTolerance() |
Tolerance in unit cell length B
|
FloatColumn |
NdbStructNaBasePair.getBuckle() |
The value of the base pair buckle parameter.
|
FloatColumn |
PdbxEntitySrcGenLysis.getBufferVolume() |
The volume in milliliters of buffer in which the lysis was performed.
|
FloatColumn |
PdbxDccDensity.getBWilson() |
The estimated B factor from the structure factor file by the
Wilson plot (from Xtriage).
|
FloatColumn |
PdbxDccDensity.getBWilsonScale() |
The scale factor for calculating the B factor by the Wilson plot
(from Xtriage).
|
FloatColumn |
PdbxDataProcessingCell.getC() |
Unit cell length C
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC1C2() |
The c1_c2 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC1C2C3() |
The c1_c2_c3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC1C2C3C4() |
The c1_c2_c3_c4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC1N19C24() |
The c1_n1_9_c2_4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC1N19C68() |
The c1_n1_9_c6_8 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC1N91() |
The c1_n9_1 covalent element of this monomer.
|
FloatColumn |
EmImaging.getC2ApertureDiameter() |
The open diameter of the c2 condenser lens,
in microns.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC2C1N19() |
The c2_c1_n1_9 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC2C3() |
The c2_c3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC2C3C4() |
The c2_c3_c4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC2C3C4O4() |
The c2_c3_c4_o4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC2C3O3() |
The c2_c3_o3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC3C4() |
The c3_c4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC3C4O4() |
The c3_c4_o4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC3C4O4C1() |
The c3_c4_o4_c1 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC3O3() |
The c3_o3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC3O3P() |
The c3_o3_p covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC3O3PO5() |
The c3_o3_p_o5 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC4C3O3() |
The c4_c3_o3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC4C3O3P() |
The c4_c3_o3_p covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC4O4() |
The c4_o4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC4O4C1() |
The c4_o4_c1 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC4O4C1C2() |
The c4_o4_c1_c2 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC4O4C1N19() |
The c4_o4_c1_n1_9 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC5C4() |
The c5_c4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC5C4C3() |
The c5_c4_c3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC5C4C3C2() |
The c5_c4_c3_c2 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC5C4C3O3() |
The c5_c4_c3_o3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getC5C4O4() |
The c5_c4_o4 covalent element of this monomer.
|
FloatColumn |
EmImaging.getCalibratedDefocusMax() |
The maximum defocus value of the objective lens (in nanometers) used
to obtain the recorded images.
|
FloatColumn |
EmImaging.getCalibratedDefocusMin() |
The minimum defocus value of the objective lens (in nanometers) used
to obtain the recorded images.
|
FloatColumn |
EmDiffraction.getCameraLength() |
|
FloatColumn |
AtomSites.getCartnTransfMatrix11() |
The elements of the 3x3 matrix used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfMatrix12() |
The elements of the 3x3 matrix used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfMatrix13() |
The elements of the 3x3 matrix used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfMatrix21() |
The elements of the 3x3 matrix used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfMatrix22() |
The elements of the 3x3 matrix used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfMatrix23() |
The elements of the 3x3 matrix used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfMatrix31() |
The elements of the 3x3 matrix used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfMatrix32() |
The elements of the 3x3 matrix used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfMatrix33() |
The elements of the 3x3 matrix used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfVector1() |
The elements of the three-element vector used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfVector2() |
The elements of the three-element vector used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSites.getCartnTransfVector3() |
The elements of the three-element vector used to transform
fractional coordinates in the ATOM_SITE category to Cartesian
coordinates in the same category.
|
FloatColumn |
AtomSite.getCartnX() |
The x atom-site coordinate in angstroms specified according to
a set of orthogonal Cartesian axes related to the cell axes as
specified by the description given in
_atom_sites.Cartn_transform_axes.
|
FloatColumn |
IhmPseudoSite.getCartnX() |
The Cartesian X component corresponding to this pseudo site.
|
FloatColumn |
IhmSphereObjSite.getCartnX() |
The Cartesian X component corresponding to this sphere object.
|
FloatColumn |
IhmStartingModelCoord.getCartnX() |
The Cartesian X component corresponding to this coordinate position.
|
FloatColumn |
PdbxPhasingMADSetSite.getCartnX() |
_pdbx_phasing_MAD_set_site.Cartn_x records the X Cartesian
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PdbxSolventAtomSiteMapping.getCartnX() |
The x atom-site coordinate of the solvent position in angstroms.
|
FloatColumn |
PhasingMIRDerSite.getCartnX() |
The x coordinate of this heavy-atom position in this derivative
specified as orthogonal angstroms.
|
FloatColumn |
AtomSite.getCartnXEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.Cartn_x.
|
FloatColumn |
PdbxPhasingMADSetSite.getCartnXEsd() |
_pdbx_phasing_MAD_set_site.Cartn_x_esd records the estimated
standard deviation X Cartesian
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PhasingMIRDerSite.getCartnXEsd() |
The standard uncertainty (estimated standard deviation)
of _phasing_MIR_der_site.Cartn_x.
|
FloatColumn |
AtomSite.getCartnY() |
The y atom-site coordinate in angstroms specified according to
a set of orthogonal Cartesian axes related to the cell axes as
specified by the description given in
_atom_sites.Cartn_transform_axes.
|
FloatColumn |
IhmPseudoSite.getCartnY() |
The Cartesian Y component corresponding to this pseudo site.
|
FloatColumn |
IhmSphereObjSite.getCartnY() |
The Cartesian Y component corresponding to this sphere object.
|
FloatColumn |
IhmStartingModelCoord.getCartnY() |
The Cartesian Y component corresponding to this coordinate position.
|
FloatColumn |
PdbxPhasingMADSetSite.getCartnY() |
_pdbx_phasing_MAD_set_site.Cartn_y records the Y Cartesian
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PdbxSolventAtomSiteMapping.getCartnY() |
The y atom-site coordinate of the solvent position in angstroms.
|
FloatColumn |
PhasingMIRDerSite.getCartnY() |
The y coordinate of this heavy-atom position in this derivative
specified as orthogonal angstroms.
|
FloatColumn |
AtomSite.getCartnYEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.Cartn_y.
|
FloatColumn |
PdbxPhasingMADSetSite.getCartnYEsd() |
_pdbx_phasing_MAD_set_site.Cartn_y_esd records the estimated
standard deviation Y Cartesian
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PhasingMIRDerSite.getCartnYEsd() |
The standard uncertainty (estimated standard deviation)
of _phasing_MIR_der_site.Cartn_y.
|
FloatColumn |
AtomSite.getCartnZ() |
The z atom-site coordinate in angstroms specified according to
a set of orthogonal Cartesian axes related to the cell axes as
specified by the description given in
_atom_sites.Cartn_transform_axes.
|
FloatColumn |
IhmPseudoSite.getCartnZ() |
The Cartesian Z component corresponding to this pseudo site.
|
FloatColumn |
IhmSphereObjSite.getCartnZ() |
The Cartesian Z component corresponding to this sphere object.
|
FloatColumn |
IhmStartingModelCoord.getCartnZ() |
The Cartesian Z component corresponding to this coordinate position.
|
FloatColumn |
PdbxPhasingMADSetSite.getCartnZ() |
_pdbx_phasing_MAD_set_site.Cartn_z records the Z Cartesian
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PdbxSolventAtomSiteMapping.getCartnZ() |
The z atom-site coordinate of the solvent position in angstroms.
|
FloatColumn |
PhasingMIRDerSite.getCartnZ() |
The z coordinate of this heavy-atom position in this derivative
specified as orthogonal angstroms.
|
FloatColumn |
AtomSite.getCartnZEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.Cartn_z.
|
FloatColumn |
PdbxPhasingMADSetSite.getCartnZEsd() |
_pdbx_phasing_MAD_set_site.Cartn_z_esd records the estimated
standard deviation Z Cartesian
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PhasingMIRDerSite.getCartnZEsd() |
The standard uncertainty (estimated standard deviation)
of _phasing_MIR_der_site.Cartn_z.
|
FloatColumn |
PdbxDataProcessingDetector.getCassetteRotX() |
The cassette rotation about the X axis.
|
FloatColumn |
PdbxDataProcessingDetector.getCassetteRotY() |
The cassette rotation about the Y axis.
|
FloatColumn |
PdbxDataProcessingDetector.getCassetteRotZ() |
The cassette rotation about the Z axis.
|
FloatColumn |
EmMap.getCellA() |
Map unit cell length parameter a.
|
FloatColumn |
EmMap.getCellAlpha() |
Value of map unit cell angle parameter alpha in degrees.
|
FloatColumn |
PhasingSet.getCellAngleAlpha() |
Unit-cell angle alpha for this data set in degrees.
|
FloatColumn |
PhasingSet.getCellAngleBeta() |
Unit-cell angle beta for this data set in degrees.
|
FloatColumn |
PhasingSet.getCellAngleGamma() |
Unit-cell angle gamma for this data set in degrees.
|
FloatColumn |
EmMap.getCellB() |
Map unit cell length parameter b.
|
FloatColumn |
EmMap.getCellBeta() |
Value of map unit cell angle parameter beta in degrees.
|
FloatColumn |
EmMap.getCellC() |
Map unit cell length parameter c.
|
FloatColumn |
EmMap.getCellGamma() |
Value of map unit cell angle parameter gamma in degrees.
|
FloatColumn |
PhasingSet.getCellLengthA() |
Unit-cell length a for this data set in angstroms.
|
FloatColumn |
PhasingSet.getCellLengthB() |
Unit-cell length b for this data set in angstroms.
|
FloatColumn |
PhasingSet.getCellLengthC() |
Unit-cell length c for this data set in angstroms.
|
FloatColumn |
PdbxNmrSpectralDim.getCenterFrequencyOffset() |
The center frequency offset for the spectral dimension specified.
|
FloatColumn |
EmVitrification.getChamberTemperature() |
The temperature (in degrees Kelvin) of the sample just prior to vitrification.
|
FloatColumn |
PdbxNmrAssignedChemShiftList.getChemShift13CErr() |
The value assigned as the error for all 13C chemical shifts reported in
the chemical shift list.
|
FloatColumn |
PdbxNmrAssignedChemShiftList.getChemShift15NErr() |
The value assigned as the error for all 15N chemical shifts reported in
the chemical shift list.
|
FloatColumn |
PdbxNmrAssignedChemShiftList.getChemShift19FErr() |
The value assigned as the error for all 19F chemical shifts reported in
the chemical shift list.
|
FloatColumn |
PdbxNmrAssignedChemShiftList.getChemShift1HErr() |
The value assigned as the error for all 1H chemical shifts reported in
the chemical shift list.
|
FloatColumn |
PdbxNmrAssignedChemShiftList.getChemShift2HErr() |
The value assigned as the error for all 2H chemical shifts reported in
the chemical shift list.
|
FloatColumn |
PdbxNmrAssignedChemShiftList.getChemShift31PErr() |
The value assigned as the error for all 31P chemical shifts reported in
the chemical shift list.
|
FloatColumn |
PdbxNmrChemShiftRef.getChemShiftVal() |
Value assigned to the chemical shift of the reference compound.
|
FloatColumn |
StructMonNucl.getChi1() |
The value in degrees of the sugar-base torsion angle chi1
(O4'-C1'-N1-C2).
|
FloatColumn |
StructMonProt.getChi1() |
The value in degrees of the side-chain torsion angle chi1, for
those residues containing such an angle.
|
FloatColumn |
StructMonNucl.getChi2() |
The value in degrees of the sugar-base torsion angle chi2
(O4'-C1'-N9-C4).
|
FloatColumn |
StructMonProt.getChi2() |
The value in degrees of the side-chain torsion angle chi2, for
those residues containing such an angle.
|
FloatColumn |
StructMonProt.getChi3() |
The value in degrees of the side-chain torsion angle chi3, for
those residues containing such an angle.
|
FloatColumn |
StructMonProt.getChi4() |
The value in degrees of the side-chain torsion angle chi4, for
those residues containing such an angle.
|
FloatColumn |
StructMonProt.getChi5() |
The value in degrees of the side-chain torsion angle chi5, for
those residues containing such an angle.
|
FloatColumn |
PdbxDccGeometry.getChiralityOverallMax() |
The maximum root mean square deviation for chirality (all atoms).
|
FloatColumn |
PdbxDccGeometry.getChiralityOverallRms() |
The overall root mean square deviation for chirality (all atoms).
|
FloatColumn |
PdbxDiffrnReflnsShell.getChiSquared() |
The overall Chi-squared statistic for the resolution shell.
|
FloatColumn |
IhmEprRestraint.getChiValue() |
The chi value resulting from fitting the model to the EPR data.
|
FloatColumn |
IhmSasRestraint.getChiValue() |
The chi value resulting from fitting the model to the SAS data.
|
FloatColumn |
PdbxEntitySrcGenProteolysis.getCleavageTemperature() |
The temperature in degrees celsius at which the cleavage was performed.
|
FloatColumn |
PdbxEntitySrcGenProteolysis.getCleavageTime() |
The time in minutes for the cleavage reaction
|
FloatColumn |
PdbxSerialCrystallographyMeasurement.getCollectionTimeTotal() |
The total number of hours required to measure this data set.
|
FloatColumn |
PdbxStructPackGen.getColorBlue() |
Gives rgb color code in order to produce atlas entry packing picture.
|
FloatColumn |
PdbxStructPackGen.getColorGreen() |
Gives rgb color code in order to produce atlas entry packing picture.
|
FloatColumn |
PdbxStructPackGen.getColorRed() |
Gives rgb color code in order to produce atlas entry packing picture.
|
FloatColumn |
PdbxEntitySrcGenChrom.getColumnTemperature() |
The temperature in degrees celsius at which this column was run.
|
FloatColumn |
PdbxEntitySrcGenChrom.getColumnVolume() |
The volume of the column used in this step.
|
FloatColumn |
PdbxExptlCrystalGrowComp.getConc() |
The concentration value of the solution component.
|
FloatColumn |
EmBufferComponent.getConcentration() |
The concentration of the sample (arbitrary units).
|
FloatColumn |
EmSpecimen.getConcentration() |
The concentration (in milligrams per milliliter, mg/ml)
of the complex in the sample.
|
FloatColumn |
PdbxNmrExptlSample.getConcentration() |
The concentration value of the component.
|
FloatColumn |
PdbxNmrExptlSample.getConcentrationErr() |
Estimate for the standard error associated with the concentration value
of the sample component.
|
FloatColumn |
PdbxRefineComponent.getConnect() |
The index of connectivity is the product of the (2Fobs-Fcal) electron
density values for the backbone atoms (N, CA and C) divided by the
average value for the structure.
|
FloatColumn |
EmMap.getContourLevel() |
recommended contour level for viewing the map
|
FloatColumn |
EmMapDepositorInfo.getContourLevel() |
recommended contour level for viewing the map
|
FloatColumn |
EmMaskDepositorInfo.getContourLevel() |
recommended contour level for viewing the map
|
FloatColumn |
PdbxNmrChemShiftRef.getCorrectionVal() |
An uniform correction value that was applied because of an extenuating
circumstance such as data collection at an unusual temperature.
|
FloatColumn |
PdbxDccDensityCorr.getCorrelation() |
The overall real space density correlation coefficient.
|
FloatColumn |
PdbxDccRsccMapman.getCorrelation() |
The real space electron density correlation coefficient (RSCC)
for the residue.
|
FloatColumn |
PdbxDccRsccMapmanOverall.getCorrelation() |
The overall real space electron density correlation coefficient
(RSCC) for the structure.
|
FloatColumn |
PdbxRefineComponent.getCorrelation() |
Correlation coefficient of electron density for each residue or ligand,
side chain, main chain
The density correlation coefficient is calculated for each component
from atomic densities of (2Fobs-Fcalc) map - "Robs" and the model
map (Fcalc) - "Rcalc" :
D_corr = <Robs><Rcalc>/sqrt(<Robs**2><Rcalc**2>)
where <Robs> is the mean of "observed" densities of atoms of the
component (backbone or side chain).
|
FloatColumn |
PdbxDccDensityCorr.getCorrelationCoeffFoToFc() |
The correlations between the observed and calculated structure
factors.
|
FloatColumn |
PdbxPhasingMR.getCorrelationCoeffFoToFc() |
The value of _pdbx_phasing_MR.correlation_coeff_Fo_to_Fc identifies
the correlation between the observed and the calculated structure
factor after rotation and translation.
|
FloatColumn |
Refine.getCorrelationCoeffFoToFc() |
The correlation coefficient between the observed and
calculated structure factors for reflections included in
the refinement.
|
FloatColumn |
Refine.getCorrelationCoeffFoToFcFree() |
The correlation coefficient between the observed and
calculated structure factors for reflections not included
in the refinement (free reflections).
|
FloatColumn |
PdbxPhasingMR.getCorrelationCoeffIoToIc() |
The value of _pdbx_phasing_MR.correlation_coeff_Io_to_Ic identifies
the correlation between the observed and the calculated intensity
(~|F|^2) after rotation and translation.
|
FloatColumn |
PdbxRefineComponent.getCorrelationMainChain() |
Correlation coefficient of electron density for each residue or ligand,
side chain, main chain
The density correlation coefficient is calculated for each component
from atomic densities of (2Fobs-Fcalc) map - "Robs" and the model
map (Fcalc) - "Rcalc" :
D_corr = <Robs><Rcalc>/sqrt(<Robs**2><Rcalc**2>)
where <Robs> is the mean of "observed" densities of atoms of the
component (backbone or side chain).
|
FloatColumn |
PdbxDccDensity.getCorrelationOverall() |
The overall electron density correlation coefficient.
|
FloatColumn |
PdbxRefineComponent.getCorrelationSideChain() |
Correlation coefficient of electron density for each residue or ligand,
side chain, main chain
The density correlation coefficient is calculated for each component
from atomic densities of (2Fobs-Fcalc) map - "Robs" and the model
map (Fcalc) - "Rcalc" :
D_corr = <Robs><Rcalc>/sqrt(<Robs**2><Rcalc**2>)
where <Robs> is the mean of "observed" densities of atoms of the
component (backbone or side chain).
|
FloatColumn |
PdbxDccRsccMapmanOverall.getCorrelationSigma() |
The overall standard deviation of the real space electron density
correlation coefficient (RSCC) for the structure.
|
FloatColumn |
PdbxNmrEnsembleRms.getCovalentBondRmsDev() |
The covalent bond rmsd to the target value for the ensemble.
|
FloatColumn |
PdbxNmrEnsembleRms.getCovalentBondRmsDevError() |
The error in the covalent bond rmsd.
|
FloatColumn |
PdbxNmrForceConstants.getCovalentGeomAnglesTerm() |
The final force constant for covalent geometry angle constraints
term employed in the target function used for simulated annealing.
|
FloatColumn |
PdbxNmrForceConstants.getCovalentGeomBondTerm() |
The final force constant for the covalent geometry bond length
constraints term employed in the target function used for simulated
annealing.
|
FloatColumn |
PdbxNmrForceConstants.getCovalentGeomImpropersTerm() |
The final force constant for covalent geometry impropers
contstraints term employed in the target function used for simulated
annealing.
|
FloatColumn |
IhmGaussianObjEnsemble.getCovarianceMatrix11() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getCovarianceMatrix11() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjEnsemble.getCovarianceMatrix12() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getCovarianceMatrix12() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjEnsemble.getCovarianceMatrix13() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getCovarianceMatrix13() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjEnsemble.getCovarianceMatrix21() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getCovarianceMatrix21() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjEnsemble.getCovarianceMatrix22() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getCovarianceMatrix22() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjEnsemble.getCovarianceMatrix23() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getCovarianceMatrix23() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjEnsemble.getCovarianceMatrix31() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getCovarianceMatrix31() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjEnsemble.getCovarianceMatrix32() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getCovarianceMatrix32() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjEnsemble.getCovarianceMatrix33() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getCovarianceMatrix33() |
Data item of the covariance matrix representing the Gaussian object.
|
FloatColumn |
Ihm2demClassAverageFitting.getCrossCorrelationCoefficient() |
The cross correlation coefficient corresponding to the model to image fitting.
|
FloatColumn |
Ihm3demRestraint.getCrossCorrelationCoefficient() |
The cross correlation coefficient corresponding to the model to map fitting.
|
FloatColumn |
PdbxCrystalAlignment.getCrossfireX() |
Angular spread (in degrees) of incident X-ray along the
horizontal (x) direction.
|
FloatColumn |
PdbxDataProcessingDetector.getCrossfireX() |
The detector crossfire value in the X direction.
|
FloatColumn |
PdbxCrystalAlignment.getCrossfireXEsd() |
The estimated deviation of angular spread (in degrees) of
incident X-ray along the horizontal (x) direction.
|
FloatColumn |
PdbxCrystalAlignment.getCrossfireXy() |
Correlated xy component of the beam spread.
|
FloatColumn |
PdbxDataProcessingDetector.getCrossfireXy() |
The detector coupled crossfire value for XY.
|
FloatColumn |
PdbxCrystalAlignment.getCrossfireXyEsd() |
The estimated deviation of correlated xy component of the beam
spread (in degrees^2).
|
FloatColumn |
PdbxCrystalAlignment.getCrossfireY() |
Angular spread (in degrees) of incident X-ray along the
vertical (y) direction.
|
FloatColumn |
PdbxDataProcessingDetector.getCrossfireY() |
The detector crossfire value in the Y direction.
|
FloatColumn |
PdbxCrystalAlignment.getCrossfireYEsd() |
The estimated deviation of angular spread (in degrees) of
incident X-ray along the vertical (y) direction.
|
FloatColumn |
PdbxDccDensity.getCruickshankDpiXyz() |
The DPI on the model determined by REFMAC.
|
FloatColumn |
PdbxSerialCrystallographySampleDeliveryInjection.getCrystalConcentration() |
For continuous sample flow experiments, the concentration of
crystals in the solution being injected.
|
FloatColumn |
PdbxCrystalAlignment.getCrystalToDetectorDistance() |
Distance (mm) from crystal to detector.
|
FloatColumn |
PdbxCrystalAlignment.getCrystalToDetectorDistanceEsd() |
The estimated deviation of distance (mm) from crystal to detector.
|
FloatColumn |
PdbxCrystalAlignment.getCrysxSpindle() |
Crystal mis-orientation angle (in degree) on x axis (spindle).
|
FloatColumn |
PdbxCrystalAlignment.getCrysxSpindleEsd() |
The estimated deviation of orientation angle (in degree) on x axis.
|
FloatColumn |
PdbxCrystalAlignment.getCrysyVertical() |
Crystal mis-orientation angle (in degree) on y axis (vertical).
|
FloatColumn |
PdbxCrystalAlignment.getCrysyVerticalEsd() |
The estimated deviation of orientation angle (in degree) on y axis.
|
FloatColumn |
PdbxCrystalAlignment.getCryszBeam() |
Crystal mis-orientation angle (in degree) on z axis (in beam).
|
FloatColumn |
PdbxCrystalAlignment.getCryszBeamEsd() |
The estimated deviation of orientation angle (in degree) on yzaxis.
|
FloatColumn |
Em2dCrystalEntity.getCSamplingLength() |
Length used to sample the reciprocal lattice lines in the c-direction.
|
FloatColumn |
PdbxDataProcessingCell.getCTolerance() |
Tolerance in unit cell length C
|
FloatColumn |
PdbxEntitySrcGenExpress.getCultureTemperature() |
The temperature in degrees celsius at which the expression host was allowed
to grow prior to induction/transformation/transfection.
|
FloatColumn |
PdbxEntitySrcGenExpress.getCultureTime() |
The time in hours for which the expression host was allowed to grow
prior to induction/transformation/transfection.
|
FloatColumn |
PdbxEntitySrcGenExpress.getCultureVolume() |
The volume of media in milliliters in which the expression host was grown.
|
FloatColumn |
DiffrnSource.getCurrent() |
The current in milliamperes at which the radiation source
was operated.
|
FloatColumn |
EmFocusedIonBeam.getCurrent() |
Current of the ion beam, in nanoamperes (nA)
|
FloatColumn |
DiffrnStandards.getDecay() |
The percentage decrease in the mean of the intensities
for the set of standard reflections from the start of the
measurement process to the end.
|
FloatColumn |
StructMonNucl.getDelta() |
The value in degrees of the backbone torsion angle delta
(C5'-C4'-C3'-O3').
|
FloatColumn |
PhasingMADExpt.getDeltaDeltaPhi() |
The difference between two independent determinations of
_phasing_MAD_expt.delta_phi.
|
FloatColumn |
PhasingMADExpt.getDeltaPhi() |
The phase difference between F~t~(h), the structure factor due
to normal scattering from all atoms, and F~a~(h), the structure
factor due to normal scattering from only the anomalous
scatterers.
|
FloatColumn |
PdbxPhasingDm.getDeltaPhiFinal() |
The value of _pdbx_phasing_dm.delta_phi_final identifies phase difference
after density modification
|
FloatColumn |
PdbxPhasingDmShell.getDeltaPhiFinal() |
The value of _pdbx_phasing_dm_shell.delta_phi_final identifies phase difference
after density modification with resolution shells.
|
FloatColumn |
PdbxPhasingDm.getDeltaPhiInitial() |
The value of _pdbx_phasing_dm.delta_phi_initial identifies phase difference
before density modification
|
FloatColumn |
PdbxPhasingDmShell.getDeltaPhiInitial() |
The value of _pdbx_phasing_dm_shell.delta_phi_initial identifies phase difference
before density modification with resolution shells.
|
FloatColumn |
PhasingMADExpt.getDeltaPhiSigma() |
The standard uncertainty (estimated standard deviation)
of _phasing_MAD_expt.delta_phi.
|
FloatColumn |
PdbxDccMap.getDensityConnectivity() |
Defined in sfcheck.
|
FloatColumn |
ExptlCrystal.getDensityDiffrn() |
Density values calculated from the crystal cell and contents.
|
FloatColumn |
PdbxRefineComponent.getDensityIndex() |
The index of density is the product of the (2Fobs-Fcal) electron
density values for the group of atoms divided by the average value
for the structure.
|
FloatColumn |
PdbxDccMap.getDensityIndexMainChain() |
Defined in sfcheck.
|
FloatColumn |
PdbxRefineComponent.getDensityIndexMainChain() |
The index of density is the product of the (2Fobs-Fcal) electron
density values for the group of atoms divided by the average value
for the structure.
|
FloatColumn |
PdbxDccMap.getDensityIndexSideChain() |
Defined in sfcheck.
|
FloatColumn |
PdbxRefineComponent.getDensityIndexSideChain() |
The index of density is the product of the (2Fobs-Fcal) electron
density values for the group of atoms divided by the average value
for the structure.
|
FloatColumn |
ExptlCrystal.getDensityMatthews() |
The density of the crystal, expressed as the ratio of the
volume of the asymmetric unit to the molecular mass of a
monomer of the structure, in units of angstroms^3^ per dalton.
|
FloatColumn |
ExptlCrystal.getDensityMeas() |
Density values measured using standard chemical and physical
methods.
|
FloatColumn |
ExptlCrystal.getDensityMeasEsd() |
The estimated standard deviation of _exptl_crystal.density_meas.
|
FloatColumn |
ExptlCrystal.getDensityMeasGt() |
The value above which the density measured using standard
chemical and physical methods lies.
|
FloatColumn |
ExptlCrystal.getDensityMeasLt() |
The value below which the density measured using standard
chemical and physical methods lies.
|
FloatColumn |
ExptlCrystal.getDensityMeasTemp() |
Temperature in kelvins at which _exptl_crystal.density_meas
was determined.
|
FloatColumn |
ExptlCrystal.getDensityMeasTempEsd() |
The estimated standard deviation of
_exptl_crystal.density_meas_temp.
|
FloatColumn |
ExptlCrystal.getDensityMeasTempGt() |
Temperature in kelvins above which _exptl_crystal.density_meas
was determined.
|
FloatColumn |
ExptlCrystal.getDensityMeasTempLt() |
Temperature in kelvins below which _exptl_crystal.density_meas
was determined.
|
FloatColumn |
ExptlCrystal.getDensityPercentSol() |
Density value P calculated from the crystal cell and contents,
expressed as per cent solvent.
|
FloatColumn |
PdbxRefineComponent.getDensityRatio() |
The density ratio is similar to the density index, but summation of the
density for the group is used for calculation.
|
FloatColumn |
PdbxRefineComponent.getDensityRatioMainChain() |
The density ratio is similar to the density index, but summation of the
density for the group is used for calculation.
|
FloatColumn |
PdbxRefineComponent.getDensityRatioSideChain() |
The density ratio is similar to the density index, but summation of the
density for the group is used for calculation.
|
FloatColumn |
StructMonNucl.getDetails() |
A description of special aspects of the residue, its
conformation, behaviour in refinement, or any other aspect
that requires annotation.
|
FloatColumn |
StructMonProt.getDetails() |
A description of special aspects of the residue, its
conformation, behaviour in refinement, or any other aspect that
requires annotation.
|
FloatColumn |
EmDetector.getDetectiveQuantumEfficiency() |
The detective_quantum_efficiency (DQE)is defined as the
square of the signal-to-noise ratio in the recording device
divided by the square of the signal-to-ratio in the electron beam:
(SIGNAL/NOISE)2 recording device
DQE = -------------------------------
(SIGNAL/NOISE)2 electron beam
A DQE value of 1 indicates a perfect recorder.
|
FloatColumn |
EmImaging.getDetectorDistance() |
The camera length (in millimeters).
|
FloatColumn |
DiffrnRefln.getDetectSlitHoriz() |
Total slit aperture in degrees in the diffraction plane.
|
FloatColumn |
DiffrnRefln.getDetectSlitVert() |
Total slit aperture in degrees perpendicular to the
diffraction plane.
|
FloatColumn |
ChemCompChirAtom.getDev() |
The standard uncertainty (estimated standard deviation)
of the position of this atom from the plane defined by
all of the atoms in the plane.
|
FloatColumn |
ChemLinkChirAtom.getDev() |
The standard uncertainty (estimated standard deviation)
of the position of this atom from the plane defined by
all of the atoms in the plane.
|
FloatColumn |
RefineLsRestr.getDevIdeal() |
For the given parameter type, the root-mean-square deviation
between the ideal values used as restraints in the least-squares
refinement and the values obtained by refinement.
|
FloatColumn |
RefineLsRestr.getDevIdealTarget() |
For the given parameter type, the target root-mean-square
deviation between the ideal values used as restraints in the
least-squares refinement and the values obtained by refinement.
|
FloatColumn |
EmFiducialMarkers.getDiameter() |
Diameter of the fiducial markers
|
FloatColumn |
EmVirusShell.getDiameter() |
The value of the diameter (in angstroms) for this virus shell.
|
FloatColumn |
Refine.getDiffDensityMax() |
The maximum value of the electron density in the final difference
Fourier map.
|
FloatColumn |
Refine.getDiffDensityMaxEsd() |
The standard uncertainty (estimated standard deviation)
of _refine.diff_density_max.
|
FloatColumn |
Refine.getDiffDensityMin() |
The minimum value of the electron density in the final difference
Fourier map.
|
FloatColumn |
Refine.getDiffDensityMinEsd() |
The standard uncertainty (estimated standard deviation)
of _refine.diff_density_min.
|
FloatColumn |
Refine.getDiffDensityRms() |
The root-mean-square-deviation of the electron density in the
final difference Fourier map.
|
FloatColumn |
Refine.getDiffDensityRmsEsd() |
The standard uncertainty (estimated standard deviation)
of _refine.diff_density_rms.
|
FloatColumn |
ExptlCrystalFace.getDiffrChi() |
The chi diffractometer setting angle in degrees for a specific
crystal face associated with _exptl_crystal_face.perp_dist.
|
FloatColumn |
ExptlCrystalFace.getDiffrKappa() |
The kappa diffractometer setting angle in degrees for a specific
crystal face associated with _exptl_crystal_face.perp_dist.
|
FloatColumn |
ExptlCrystalFace.getDiffrPhi() |
The phi diffractometer setting angle in degrees for a specific
crystal face associated with _exptl_crystal_face.perp_dist.
|
FloatColumn |
ExptlCrystalFace.getDiffrPsi() |
The psi diffractometer setting angle in degrees for a specific
crystal face associated with _exptl_crystal_face.perp_dist.
|
FloatColumn |
PdbxNmrEnsembleRms.getDihedralAnglesRmsDev() |
The dihedral angle rmsd to the target values for the ensemble.
|
FloatColumn |
PdbxNmrEnsembleRms.getDihedralAnglesRmsDevError() |
The error of the rmsd dihedral angles.
|
FloatColumn |
IhmDerivedDihedralRestraint.getDihedralLowerLimit() |
The lower limit to the threshold applied to this dihedral restraint
in the integrative modeling task.
|
FloatColumn |
IhmDerivedDihedralRestraint.getDihedralLowerLimitEsd() |
The estimated standard deviation of the lower limit dihedral threshold applied.
|
FloatColumn |
PdbxDccGeometry.getDihedralOverallMax() |
The maximum root mean square deviation for dihedrals (all atoms).
|
FloatColumn |
PdbxDccGeometry.getDihedralOverallRms() |
The overall root mean square deviation for dihedrals (all atoms).
|
FloatColumn |
IhmDerivedDihedralRestraint.getDihedralThresholdEsd() |
The estimated standard deviation of the dihedral threshold applied to the restraint.
|
FloatColumn |
IhmDerivedDihedralRestraint.getDihedralThresholdMean() |
The dihedral threshold mean applied to the restraint.
|
FloatColumn |
IhmDerivedDihedralRestraint.getDihedralUpperLimit() |
The upper limit to the threshold applied to this dihedral restraint
in the integrative modeling task.
|
FloatColumn |
IhmDerivedDihedralRestraint.getDihedralUpperLimitEsd() |
The estimated standard deviation of the upper limit dihedral threshold applied.
|
FloatColumn |
ChemicalConnAtom.getDisplayX() |
The 2D Cartesian x coordinate of the position of this atom in a
recognizable chemical diagram.
|
FloatColumn |
ChemicalConnAtom.getDisplayY() |
The 2D Cartesian y coordinate of the position of this atom in a
recognizable chemical diagram.
|
FloatColumn |
ChemCompTorValue.getDist() |
A value that should be taken as a potential target value for the
torsion angle associated with the specified atoms, expressed as
the distance between the atoms specified by
_chem_comp_tor.atom_id_1 and _chem_comp_tor.atom_id_4 in the
referenced record in the CHEM_COMP_TOR list.
|
FloatColumn |
ChemLinkTorValue.getDist() |
A value that should be taken as a potential target value for the
torsion angle associated with the specified atoms, expressed as
the distance between the atoms specified by
_chem_link_tor.atom_id_1 and _chem_link_tor.atom_id_4 in the
referenced record in the CHEM_LINK_TOR list.
|
FloatColumn |
GeomBond.getDist() |
The intramolecular bond distance in angstroms.
|
FloatColumn |
GeomContact.getDist() |
The interatomic contact distance in angstroms.
|
FloatColumn |
PdbxValContact.getDist() |
The value of the close contact for the two atoms defined.
|
FloatColumn |
PdbxValidateCloseContact.getDist() |
The value of the close contact for the two atoms defined.
|
FloatColumn |
PdbxValidatePolymerLinkage.getDist() |
The value of the polymer linkage for the two atoms defined.
|
FloatColumn |
PdbxValidateSymmContact.getDist() |
The value of the close contact for the two atoms defined.
|
FloatColumn |
PdbxValSymContact.getDist() |
The value of the close contact for the two atoms defined.
|
FloatColumn |
PdbxVirtualBond.getDist() |
The intramolecular bond distance in angstroms.
|
FloatColumn |
RefineLsRestrType.getDistanceCutoffHigh() |
The upper limit in angstroms of the distance range applied to
the current restraint type.
|
FloatColumn |
RefineLsRestrType.getDistanceCutoffLow() |
The lower limit in angstroms of the distance range applied to
the current restraint type.
|
FloatColumn |
IhmDerivedDistanceRestraint.getDistanceLowerLimit() |
The lower limit to the distance threshold applied to this distance restraint
in the integrative modeling task.
|
FloatColumn |
IhmGeometricObjectDistanceRestraint.getDistanceLowerLimit() |
The lower limit to the distance threshold, if applicable.
|
FloatColumn |
IhmPredictedContactRestraint.getDistanceLowerLimit() |
The lower limit to the distance threshold applied to this predicted contact restraint
in the integrative modeling task.
|
FloatColumn |
IhmDerivedDistanceRestraint.getDistanceLowerLimitEsd() |
The estimated standard deviation of the lower limit distance threshold applied to this distance restraint
in the integrative modeling task.
|
FloatColumn |
IhmGeometricObjectDistanceRestraint.getDistanceLowerLimitEsd() |
The estimated standard deviation of the lower limit distance threshold, if applicable.
|
FloatColumn |
IhmGeometricObjectDistanceRestraint.getDistanceProbability() |
The real number that indicates the probability that the distance restraint
is correct.
|
FloatColumn |
PdbxNmrEnsembleRms.getDistanceRmsDev() |
The distance rmsd to the mean structure for the ensemble of structures.
|
FloatColumn |
PdbxNmrEnsembleRms.getDistanceRmsDevError() |
The error in the distance rmsd.
|
FloatColumn |
IhmCrossLinkRestraint.getDistanceThreshold() |
The distance threshold applied to this crosslink in the integrative modeling task.
|
FloatColumn |
IhmCrossLinkResult.getDistanceThreshold() |
The distance threshold applied to this crosslink in the integrative modeling task.
|
FloatColumn |
IhmDerivedDistanceRestraint.getDistanceThresholdEsd() |
The estimated standard deviation of the distance threshold applied to the restraint.
|
FloatColumn |
IhmDerivedDistanceRestraint.getDistanceThresholdMean() |
The distance threshold mean applied to the restraint.
|
FloatColumn |
IhmDerivedDistanceRestraint.getDistanceUpperLimit() |
The upper limit to the distance threshold applied to this distance restraint
in the integrative modeling task.
|
FloatColumn |
IhmGeometricObjectDistanceRestraint.getDistanceUpperLimit() |
The upper limit to the distance threshold, if applicable.
|
FloatColumn |
IhmPredictedContactRestraint.getDistanceUpperLimit() |
The upper limit to the distance threshold applied to this predicted contact restraint
in the integrative modeling task.
|
FloatColumn |
IhmDerivedDistanceRestraint.getDistanceUpperLimitEsd() |
The estimated standard deviation of the upper limit distance threshold applied to this distance restraint
in the integrative modeling task.
|
FloatColumn |
IhmGeometricObjectDistanceRestraint.getDistanceUpperLimitEsd() |
The estimated standard deviation of the upper limit distance threshold, if applicable.
|
FloatColumn |
GeomHbond.getDistDA() |
The distance in angstroms between the donor- and acceptor-atom
sites in a hydrogen bond.
|
FloatColumn |
GeomHbond.getDistDAEsd() |
The standard uncertainty (estimated standard deviation)
in angstroms of _geom_hbond.dist_DA.
|
FloatColumn |
GeomHbond.getDistDH() |
The distance in angstroms between the donor- and hydrogen-atom
sites in a hydrogen bond.
|
FloatColumn |
GeomHbond.getDistDHEsd() |
The standard uncertainty (estimated standard deviation)
in angstroms of _geom_hbond.dist_DH.
|
FloatColumn |
ChemCompPlaneAtom.getDistEsd() |
This data item is the standard deviation of the
out-of-plane distance for this atom.
|
FloatColumn |
ChemCompTorValue.getDistEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_comp_tor_value.dist.
|
FloatColumn |
ChemLinkTorValue.getDistEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_link_tor_value.dist.
|
FloatColumn |
GeomBond.getDistEsd() |
The standard uncertainty (estimated standard deviation)
of _geom_bond.dist.
|
FloatColumn |
GeomContact.getDistEsd() |
The standard uncertainty (estimated standard deviation)
of _geom_contact.dist.
|
FloatColumn |
PdbxVirtualBond.getDistEsd() |
The estimated standard deviation of _pdbx_virtual_bond.dist.
|
FloatColumn |
GeomHbond.getDistHA() |
The distance in angstroms between the hydrogen- and acceptor-
atom sites in a hydrogen bond.
|
FloatColumn |
GeomHbond.getDistHAEsd() |
The standard uncertainty (estimated standard deviation)
in angstroms of _geom_hbond.dist_HA.
|
FloatColumn |
PdbxDccDensity.getDpiFreeR() |
The DPI calculated based on the free set, determined by REFMAC.
|
FloatColumn |
DiffrnReflnsClass.getDResHigh() |
The smallest value in angstroms for the interplanar
spacings for the reflections in each measured reflection class.
|
FloatColumn |
PdbxDiffrnReflnsShell.getDResHigh() |
The highest resolution for the interplanar spacings in the
resolution shell.
|
FloatColumn |
PdbxPhasingDmShell.getDResHigh() |
The value of _pdbx_phasing_dm_shell.d_res_high identifies high resolution
|
FloatColumn |
PdbxPhasingMADSet.getDResHigh() |
_pdbx_phasing_MAD_set.d_res_high records the highest resolution
for the phasing set.
|
FloatColumn |
PdbxPhasingMADSetShell.getDResHigh() |
_pdbx_phasing_MAD_set_shell.d_res_high records the highest resolution
for the phasing set.
|
FloatColumn |
PdbxPhasingMADShell.getDResHigh() |
_pdbx_phasing_MAD_shell.d_res_high records the higher resolution
for the shell.
|
FloatColumn |
PhasingMADRatio.getDResHigh() |
The lowest value for the interplanar spacings for the
reflection data used for the comparison of Bijvoet differences.
|
FloatColumn |
PhasingMADSet.getDResHigh() |
The lowest value for the interplanar spacings for the
reflection data used for this set of data.
|
FloatColumn |
PhasingMIR.getDResHigh() |
The lowest value in angstroms for the interplanar spacings
for the reflection data used for the native data set.
|
FloatColumn |
PhasingMIRDer.getDResHigh() |
The lowest value for the interplanar spacings for the
reflection data used for this derivative.
|
FloatColumn |
PhasingMIRDerShell.getDResHigh() |
The lowest value for the interplanar spacings for the
reflection data for this derivative in this shell.
|
FloatColumn |
PhasingMIRShell.getDResHigh() |
The lowest value for the interplanar spacings for the
reflection data in this shell.
|
FloatColumn |
RefineHist.getDResHigh() |
The lowest value for the interplanar spacings for the
reflection data for this cycle of refinement.
|
FloatColumn |
RefineLsClass.getDResHigh() |
For each reflection class, the lowest value in angstroms
for the interplanar spacings for the reflections used in the
refinement.
|
FloatColumn |
RefineLsShell.getDResHigh() |
The lowest value for the interplanar spacings for the
reflection data in this shell.
|
FloatColumn |
ReflnsClass.getDResHigh() |
For each reflection class, the smallest value in angstroms
for the interplanar spacings for the reflections used in the
refinement.
|
FloatColumn |
ReflnsShell.getDResHigh() |
The smallest value in angstroms for the interplanar spacings
for the reflections in this shell.
|
FloatColumn |
PdbxPhasingMR.getDResHighFit() |
The highest resolution limit used for rigid body
refinement after molecular replacement (MR) solution.
|
FloatColumn |
PdbxPhasingMR.getDResHighRotation() |
The value of _pdbx_phasing_MR.d_res_high_rotation identifies
the highest resolution used for rotation search.
|
FloatColumn |
PdbxPhasingMR.getDResHighTranslation() |
The value of _pdbx_phasing_MR.d_res_high_translation identifies
the highest resolution used for translation search.
|
FloatColumn |
DiffrnReflnsClass.getDResLow() |
The largest value in angstroms of the interplanar
spacings for the reflections for each measured reflection class.
|
FloatColumn |
PdbxDiffrnReflnsShell.getDResLow() |
The lowest resolution for the interplanar spacings in the
resolution shell.
|
FloatColumn |
PdbxPhasingDmShell.getDResLow() |
The value of _pdbx_phasing_dm_shell.d_res_low identifies low resolution
|
FloatColumn |
PdbxPhasingMADSet.getDResLow() |
_pdbx_phasing_MAD_set.d_res_low records the lowerest
resolution for phasing set.
|
FloatColumn |
PdbxPhasingMADSetShell.getDResLow() |
_pdbx_phasing_MAD_set_shell.d_res_low records the lowerest
resolution for phasing set.
|
FloatColumn |
PdbxPhasingMADShell.getDResLow() |
_pdbx_phasing_MAD_shell.d_res_low records the lower resolution
for the shell.
|
FloatColumn |
PhasingMADRatio.getDResLow() |
The highest value for the interplanar spacings for the
reflection data used for the comparison of Bijvoet differences.
|
FloatColumn |
PhasingMADSet.getDResLow() |
The highest value for the interplanar spacings for the
reflection data used for this set of data.
|
FloatColumn |
PhasingMIR.getDResLow() |
The highest value in angstroms for the interplanar spacings
for the reflection data used for the native data set.
|
FloatColumn |
PhasingMIRDer.getDResLow() |
The highest value for the interplanar spacings for the
reflection data used for this derivative.
|
FloatColumn |
PhasingMIRDerShell.getDResLow() |
The highest value for the interplanar spacings for the
reflection data for this derivative in this shell.
|
FloatColumn |
PhasingMIRShell.getDResLow() |
The highest value for the interplanar spacings for the
reflection data in this shell.
|
FloatColumn |
RefineHist.getDResLow() |
The highest value for the interplanar spacings for the
reflection data for this cycle of refinement.
|
FloatColumn |
RefineLsClass.getDResLow() |
For each reflection class, the highest value in angstroms
for the interplanar spacings for the reflections used in the
refinement.
|
FloatColumn |
RefineLsShell.getDResLow() |
The highest value for the interplanar spacings for the
reflection data in this shell.
|
FloatColumn |
ReflnsClass.getDResLow() |
For each reflection class, the largest value in angstroms
for the interplanar spacings for the reflections used in the
refinement.
|
FloatColumn |
ReflnsShell.getDResLow() |
The highest value in angstroms for the interplanar spacings
for the reflections in this shell.
|
FloatColumn |
PdbxPhasingMR.getDResLowFit() |
The lowest resolution limit used for rigid body
refinement after molecular replacement (MR) solution.
|
FloatColumn |
PdbxPhasingMR.getDResLowRotation() |
The value of _pdbx_phasing_MR.d_res_low_rotation identifies
the lowest resolution used for rotation search.
|
FloatColumn |
PdbxPhasingMR.getDResLowTranslation() |
The value of _pdbx_phasing_MR.d_res_low_translation identifies
the lowest resolution used for translation search.
|
FloatColumn |
Reflns.getDResolutionHigh() |
The smallest value for the interplanar spacings for
the reflection data.
|
FloatColumn |
Reflns.getDResolutionLow() |
The largest value for the interplanar spacings for the
reflection data.
|
FloatColumn |
Refln.getDSpacing() |
The d spacing in angstroms for this reflection.
|
FloatColumn |
DiffrnDetector.getDtime() |
The deadtime in microseconds of the detector used to measure
the diffraction intensities.
|
FloatColumn |
EmTomography.getDualTiltAxisRotation() |
Angular difference between axis1 and axis2 in degrees
|
FloatColumn |
DiffrnRefln.getElapsedTime() |
Elapsed time in minutes from the start of the diffraction
experiment to the measurement of this intensity.
|
FloatColumn |
EmImaging.getElectronDose() |
The electron dose received by the specimen (electrons per square angstrom).
|
FloatColumn |
EmImagingOptics.getEnergyfilterSlitWidth() |
The energy filter range slit width in electron volts (eV).
|
FloatColumn |
IhmEnsembleInfo.getEnsemblePrecisionValue() |
The precision of each cluster or ensemble is calculated as dRMSD, which
is the average C-alpha distance root mean square deviation (dRMSD)
between the individual models in the cluster and the cluster centroid.
|
FloatColumn |
StructMonNucl.getEpsilon() |
The value in degrees of the backbone torsion angle epsilon
(C4'-C3'-O3'-P).
|
FloatColumn |
PdbxNmrForceConstants.getExptl13CShiftTerm() |
The final force constant for 13C shift constraints term employed
in the target function used for simulated annealing.
|
FloatColumn |
PdbxNmrForceConstants.getExptl1HShiftTerm() |
The final force constant for 1H shift constraints term employed
in the target function used for simulated annealing.
|
FloatColumn |
PdbxNmrForceConstants.getExptlDipolarCouplingTerm() |
The final force constant for dipolar coupling constraint term
employed in the target function used for simulated annealing.
|
FloatColumn |
PdbxNmrForceConstants.getExptlDIsotopeShiftTerm() |
The final force constant for Deuterium isotope shift constraints
term employed in the target function used for simulated annealing.
|
FloatColumn |
PdbxNmrForceConstants.getExptlDistanceTerm() |
The final force constant for distance (NOEs) constraints
term employed in the target function used for simulated annealing.
|
FloatColumn |
PdbxNmrForceConstants.getExptlJCouplingTerm() |
The final force constant for J coupling term employed in the
target function used for simulated annealing.
|
FloatColumn |
PdbxNmrForceConstants.getExptlTorsionAnglesTerm() |
The final force constant for the torsion angle term employed in
the target function used for simulated annealing.
|
FloatColumn |
PhasingMIRDerRefln.getFCalc() |
The calculated value of the structure factor for this derivative,
in electrons.
|
FloatColumn |
Refln.getFCalc() |
The calculated value of the structure factor in electrons.
|
FloatColumn |
PhasingMIRDerRefln.getFCalcAu() |
The calculated value of the structure factor for this derivative,
in arbitrary units.
|
FloatColumn |
Refln.getFCalcAu() |
The calculated value of the structure factor in arbitrary
units.
|
FloatColumn |
PhasingMADSet.getFDoublePrime() |
The f'' component of the anomalous scattering factor for this
wavelength.
|
FloatColumn |
PdbxNmrSpectrometer.getFieldStrength() |
Select the field strength for protons in MHz.
|
FloatColumn |
IhmExternalFiles.getFileSizeBytes() |
Storage size of the external file in bytes.
|
FloatColumn |
DiffrnRadiation.getFilterEdge() |
Absorption edge in angstroms of the radiation filter used.
|
FloatColumn |
PdbxSerialCrystallographySampleDeliveryInjection.getFilterSize() |
The size of filter in micrometres in filtering crystals
|
FloatColumn |
PdbxEntitySrcGenChrom.getFlowRate() |
The rate at which the equilibration buffer flowed through the column.
|
FloatColumn |
PdbxSerialCrystallographySampleDeliveryInjection.getFlowRate() |
For continuous sample flow experiments, the flow rate of
solution being injected measured in ul/min.
|
FloatColumn |
PhasingMIRDerRefln.getFMeas() |
The measured value of the structure factor for this derivative,
in electrons.
|
FloatColumn |
PhasingSetRefln.getFMeas() |
The measured value of the structure factor for this reflection
in this data set in electrons.
|
FloatColumn |
Refln.getFMeas() |
The measured value of the structure factor in electrons.
|
FloatColumn |
PhasingMIRDerRefln.getFMeasAu() |
The measured value of the structure factor for this derivative,
in arbitrary units.
|
FloatColumn |
PhasingSetRefln.getFMeasAu() |
The measured value of the structure factor for this reflection
in this data set in arbitrary units.
|
FloatColumn |
Refln.getFMeasAu() |
The measured value of the structure factor in arbitrary units.
|
FloatColumn |
PhasingMIRDerRefln.getFMeasSigma() |
The standard uncertainty (estimated standard deviation)
of _phasing_MIR_der_refln.F_meas, in electrons.
|
FloatColumn |
PhasingSetRefln.getFMeasSigma() |
The standard uncertainty (estimated standard deviation)
of _phasing_set_refln.F_meas in electrons.
|
FloatColumn |
Refln.getFMeasSigma() |
The standard uncertainty (estimated standard deviation) of
_refln.F_meas in electrons.
|
FloatColumn |
PhasingMIRDerRefln.getFMeasSigmaAu() |
The standard uncertainty (estimated standard deviation)
of _phasing_MIR_der_refln.F_meas_au, in arbitrary units.
|
FloatColumn |
PhasingSetRefln.getFMeasSigmaAu() |
The standard uncertainty (estimated standard deviation)
of _phasing_set_refln.F_meas_au in arbitrary units.
|
FloatColumn |
Refln.getFMeasSigmaAu() |
The standard uncertainty (estimated standard deviation) of
_refln.F_meas_au in arbitrary units.
|
FloatColumn |
PdbxSerialCrystallographyMeasurement.getFocalSpotSize() |
The focal spot size of the beam
impinging on the sample (micrometres squared).
|
FloatColumn |
PdbxDccDensity.getFom() |
The mean figure of merit after refinement.
|
FloatColumn |
PdbxPhasingDm.getFom() |
The value of _pdbx_phasing_dm.fom identifies the figure of merit
for all the data
|
FloatColumn |
PdbxPhasingDmShell.getFom() |
The value of _pdbx_phasing_dm_shell.fom identifies the figure of merit
for all the data with resolution shells.
|
FloatColumn |
PdbxPhasingMADSet.getFom() |
_pdbx_phasing_MAD_set.fom records the figure of merit
for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getFom() |
_pdbx_phasing_MAD_set_shell.fom records the figure of merit
for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getFom() |
_pdbx_phasing_MAD_shell.fom records the figure of merit
for MAD phasing.
|
FloatColumn |
PhasingMIRDerShell.getFom() |
The mean value of the figure of merit m for reflections for this
derivative in this shell.
|
FloatColumn |
Refln.getFom() |
The figure of merit m for this reflection.
|
FloatColumn |
PhasingMIR.getFOM() |
The mean value of the figure of merit m for all reflections
phased in the native data set.
|
FloatColumn |
PhasingMIRShell.getFOM() |
The mean value of the figure of merit m for reflections in this
shell.
|
FloatColumn |
PdbxPhasingDm.getFomAcentric() |
The value of _pdbx_phasing_dm.fom_acentric identifies the figure of merit
for acentric data
|
FloatColumn |
PdbxPhasingDmShell.getFomAcentric() |
The value of _pdbx_phasing_dm_shell.fom_acentric identifies the figure of merit
for acentric data with resolution shells
|
FloatColumn |
PdbxPhasingMADSet.getFomAcentric() |
_pdbx_phasing_MAD_set.fom_acentric records the figure of merit
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getFomAcentric() |
_pdbx_phasing_MAD_set_shell.fom_acentric records the figure of merit
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getFomAcentric() |
_pdbx_phasing_MAD_shell.fom_acentric records the figure of merit
using acentric data for MAD phasing.
|
FloatColumn |
PhasingMIR.getFOMAcentric() |
The mean value of the figure of merit m for the acentric
reflections phased in the native data set.
|
FloatColumn |
PhasingMIRShell.getFOMAcentric() |
The mean value of the figure of merit m for acentric reflections
in this shell.
|
FloatColumn |
PdbxPhasingDm.getFomCentric() |
The value of _pdbx_phasing_dm.fom_centric identifies the figure of merit
for acentric data
|
FloatColumn |
PdbxPhasingDmShell.getFomCentric() |
The value of _pdbx_phasing_dm_shell.fom_centric identifies the figure of merit
for centric data with resolution shells.
|
FloatColumn |
PdbxPhasingMADSet.getFomCentric() |
_pdbx_phasing_MAD_set.fom_centric records the figure of merit
using centric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getFomCentric() |
_pdbx_phasing_MAD_set_shell.fom_centric records the figure of merit
using centric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getFomCentric() |
_pdbx_phasing_MAD_shell.fom_centric records the figure of merit
using centric data for MAD phasing.
|
FloatColumn |
PhasingMIR.getFOMCentric() |
The mean value of the figure of merit m for the centric
reflections phased in the native data set.
|
FloatColumn |
PhasingMIRShell.getFOMCentric() |
The mean value of the figure of merit m for centric reflections
in this shell.
|
FloatColumn |
ChemComp.getFormulaWeight() |
Formula mass in daltons of the chemical component.
|
FloatColumn |
Entity.getFormulaWeight() |
Formula mass in daltons of the entity.
|
FloatColumn |
PdbxReferenceMolecule.getFormulaWeight() |
Formula mass in daltons of the entity.
|
FloatColumn |
EmDiffractionShell.getFourierSpaceCoverage() |
Completeness of the structure factor data within this resolution shell, in percent
|
FloatColumn |
EmDiffractionStats.getFourierSpaceCoverage() |
Completeness of the structure factor data within the defined space group
at the reported resolution (percent).
|
FloatColumn |
IhmHydroxylRadicalFpRestraint.getFpRate() |
The footprinting rate.
|
FloatColumn |
IhmHydroxylRadicalFpRestraint.getFpRateError() |
The footprinting rate error.
|
FloatColumn |
PhasingMADSet.getFPrime() |
The f' component of the anomalous scattering factor for this
wavelength.
|
FloatColumn |
PdbxReflnsTwin.getFraction() |
The twin fraction or twin factor represents a quantitative parameter for the
crystal twinning.
|
FloatColumn |
AtomSites.getFractTransfMatrix11() |
The elements of the 3x3 matrix used to transform Cartesian
coordinates in the ATOM_SITE category to fractional coordinates
in the same category.
|
FloatColumn |
AtomSites.getFractTransfMatrix12() |
The elements of the 3x3 matrix used to transform Cartesian
coordinates in the ATOM_SITE category to fractional coordinates
in the same category.
|
FloatColumn |
AtomSites.getFractTransfMatrix13() |
The elements of the 3x3 matrix used to transform Cartesian
coordinates in the ATOM_SITE category to fractional coordinates
in the same category.
|
FloatColumn |
AtomSites.getFractTransfMatrix21() |
The elements of the 3x3 matrix used to transform Cartesian
coordinates in the ATOM_SITE category to fractional coordinates
in the same category.
|
FloatColumn |
AtomSites.getFractTransfMatrix22() |
The elements of the 3x3 matrix used to transform Cartesian
coordinates in the ATOM_SITE category to fractional coordinates
in the same category.
|
FloatColumn |
AtomSites.getFractTransfMatrix23() |
The elements of the 3x3 matrix used to transform Cartesian
coordinates in the ATOM_SITE category to fractional coordinates
in the same category.
|
FloatColumn |
AtomSites.getFractTransfMatrix31() |
The elements of the 3x3 matrix used to transform Cartesian
coordinates in the ATOM_SITE category to fractional coordinates
in the same category.
|
FloatColumn |
AtomSites.getFractTransfMatrix32() |
The elements of the 3x3 matrix used to transform Cartesian
coordinates in the ATOM_SITE category to fractional coordinates
in the same category.
|
FloatColumn |
AtomSites.getFractTransfMatrix33() |
The elements of the 3x3 matrix used to transform Cartesian
coordinates in the ATOM_SITE category to fractional coordinates
in the same category.
|
FloatColumn |
AtomSites.getFractTransfVector1() |
The elements of the three-element vector used to transform
Cartesian coordinates in the ATOM_SITE category to fractional
coordinates in the same category.
|
FloatColumn |
AtomSites.getFractTransfVector2() |
The elements of the three-element vector used to transform
Cartesian coordinates in the ATOM_SITE category to fractional
coordinates in the same category.
|
FloatColumn |
AtomSites.getFractTransfVector3() |
The elements of the three-element vector used to transform
Cartesian coordinates in the ATOM_SITE category to fractional
coordinates in the same category.
|
FloatColumn |
AtomSite.getFractX() |
The x coordinate of the atom-site position specified as a
fraction of _cell.length_a.
|
FloatColumn |
PdbxPhasingMADSetSite.getFractX() |
_pdbx_phasing_MAD_set_site.fract_x records the X fractional
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PhasingMIRDerSite.getFractX() |
The x coordinate of this heavy-atom position in this derivative
specified as a fraction of _cell.length_a.
|
FloatColumn |
AtomSite.getFractXEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.fract_x.
|
FloatColumn |
PdbxPhasingMADSetSite.getFractXEsd() |
_pdbx_phasing_MAD_set_site.fract_x_esd records the estimated
standard deviation X fractional
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PhasingMIRDerSite.getFractXEsd() |
The standard uncertainty (estimated standard deviation)
of _phasing_MIR_der_site.fract_x.
|
FloatColumn |
AtomSite.getFractY() |
The y coordinate of the atom-site position specified as a
fraction of _cell.length_b.
|
FloatColumn |
PdbxPhasingMADSetSite.getFractY() |
_pdbx_phasing_MAD_set_site.fract_y records the Y fractional
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PhasingMIRDerSite.getFractY() |
The y coordinate of this heavy-atom position in this derivative
specified as a fraction of _cell.length_b.
|
FloatColumn |
AtomSite.getFractYEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.fract_y.
|
FloatColumn |
PdbxPhasingMADSetSite.getFractYEsd() |
_pdbx_phasing_MAD_set_site.fract_y_esd records the estimated
standard deviation Y fractional
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PhasingMIRDerSite.getFractYEsd() |
The standard uncertainty (estimated standard deviation)
of _phasing_MIR_der_site.fract_y.
|
FloatColumn |
AtomSite.getFractZ() |
The z coordinate of the atom-site position specified as a
fraction of _cell.length_c.
|
FloatColumn |
PdbxPhasingMADSetSite.getFractZ() |
_pdbx_phasing_MAD_set_site.fract_z records the Z fractional
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PhasingMIRDerSite.getFractZ() |
The z coordinate of this heavy-atom position in this derivative
specified as a fraction of _cell.length_c.
|
FloatColumn |
AtomSite.getFractZEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.fract_z.
|
FloatColumn |
PdbxPhasingMADSetSite.getFractZEsd() |
_pdbx_phasing_MAD_set_site.fract_z_esd records the estimated
standard deviation Z fractional
coordinate of site obtained from MAD phasing.
|
FloatColumn |
PhasingMIRDerSite.getFractZEsd() |
The standard uncertainty (estimated standard deviation)
of _phasing_MIR_der_site.fract_z.
|
FloatColumn |
PdbxRefine.getFreeRErrorNoCutoff() |
Free R-value error(no cutoff)
|
FloatColumn |
PdbxRefine.getFreeRFactor4sigCutoff() |
R free value (4 sigma cutoff).
|
FloatColumn |
PdbxRefine.getFreeRFactorNoCutoff() |
Free R-value (no cutoff)
Placeholder for PDB mapping of SHELXL refinement data.
|
FloatColumn |
PdbxRefine.getFreeRVal4sigCutoff() |
Free R-value (4 sigma cutoff)
Placeholder for PDB mapping of SHELXL refinement data.
|
FloatColumn |
PdbxRefine.getFreeRValNoCutoff() |
Free R-value (no cutoff)
|
FloatColumn |
PdbxRefine.getFreeRValTestSetCt4sigCutoff() |
Free R-value test set count (4 sigma cutoff)
Placeholder for PDB mapping of SHELXL refinement data.
|
FloatColumn |
PdbxRefine.getFreeRValTestSetCtNoCutoff() |
Free R-value test set count (no cutoff)
Placeholder for PDB mapping of SHELXL refinement data.
|
FloatColumn |
PdbxRefine.getFreeRValTestSetSizePerc4sigCutoff() |
Free R-value test set size (in percent, 4 sigma cutoff)
Placeholder for PDB mapping of SHELXL refinement data.
|
FloatColumn |
PdbxRefine.getFreeRValTestSetSizePercNoCutoff() |
Free R-value test set size (in percent, no cutoff)
Placeholder for PDB mapping of SHELXL refinement data.
|
FloatColumn |
Reflns.getFriedelCoverage() |
The proportion of Friedel-related reflections present in
the number of 'independent' reflections specified by
the item _reflns.number_all.
|
FloatColumn |
Refln.getFSquaredCalc() |
The calculated value of the squared structure factor in
electrons squared.
|
FloatColumn |
Refln.getFSquaredMeas() |
The measured value of the squared structure factor in electrons
squared.
|
FloatColumn |
Refln.getFSquaredSigma() |
The standard uncertainty (derived from measurement) of the
squared structure factor in electrons squared.
|
FloatColumn |
PdbxDataProcessingCell.getGamma() |
Unit cell angle gamma.
|
FloatColumn |
StructMonNucl.getGamma() |
The value in degrees of the backbone torsion angle gamma
(O5'-C5'-C4'-C3').
|
FloatColumn |
PdbxDataProcessingCell.getGammaTolerance() |
Tolerance in unit cell angle gamma.
|
FloatColumn |
PhasingMIRDerShell.getHaAmpl() |
The mean heavy-atom amplitude for reflections for this
derivative in this shell.
|
FloatColumn |
IhmGeometricObjectDistanceRestraint.getHarmonicForceConstant() |
The harmonic force constant, if applicable.
|
FloatColumn |
NdbStructNaBasePairStep.getHelicalRise() |
The value of the base pair step helical rise parameter.
|
FloatColumn |
PdbxStructAssemblyGenDepositorInfo.getHelicalRise() |
The axial rise per subunit in the helical assembly.
|
FloatColumn |
PdbxStructAssemblyGenDepositorInfo.getHelicalRotation() |
Angular rotation (degrees) along the helical axis
|
FloatColumn |
NdbStructNaBasePairStep.getHelicalTwist() |
The value of the base pair step helical twist parameter.
|
FloatColumn |
EmDiffractionShell.getHighResolution() |
High resolution limit for this shell (Angstroms)
|
FloatColumn |
EmDiffractionStats.getHighResolution() |
High resolution limit of the structure factor data, in Angstroms
|
FloatColumn |
PhasingMIRDerRefln.getHLAIso() |
The isomorphous Hendrickson-Lattman coefficient A~iso~ for this
reflection for this derivative.
|
FloatColumn |
PhasingMIRDerRefln.getHLBIso() |
The isomorphous Hendrickson-Lattman coefficient B~iso~ for this
reflection for this derivative.
|
FloatColumn |
PhasingMIRDerRefln.getHLCIso() |
The isomorphous Hendrickson-Lattman coefficient C~iso~ for this
reflection for this derivative.
|
FloatColumn |
PhasingMIRDerRefln.getHLDIso() |
The isomorphous Hendrickson-Lattman coefficient D~iso~ for this
reflection for this derivative.
|
FloatColumn |
EmVitrification.getHumidity() |
The humidity (%) in the vicinity of the vitrification process.
|
FloatColumn |
ReflnSysAbs.getI() |
The measured value of the intensity in arbitrary units.
|
FloatColumn |
Ihm2demClassAverageRestraint.getImageResolution() |
Resolution of the 2dem class average.
|
FloatColumn |
PdbxValidateMainChainPlane.getImproperTorsionAngle() |
The value for the torsion angle C(i-1) - CA(i-1) - N(i) - O(i-1)
|
FloatColumn |
PdbxNmrEnsembleRms.getImproperTorsionAngleRmsDev() |
The improper torsion angle rmsd to the target values for the ensemble.
|
FloatColumn |
PdbxNmrEnsembleRms.getImproperTorsionAngleRmsDevError() |
The error in the improper torsion angle rmsd.
|
FloatColumn |
NdbStructNaBasePairStep.getInclination() |
The value of the base pair step inclination parameter.
|
FloatColumn |
PdbxNmrChemShiftRef.getIndirectShiftRatio() |
The Chi value used in calculating the chemical shift referencing values
for nuclei that are referenced indirectly.
|
FloatColumn |
PdbxEntitySrcGenExpress.getInducerConcentration() |
Concentration of the inducing agent.
|
FloatColumn |
PdbxEntitySrcGenExpress.getInductionTemperature() |
The temperature in celsius at which the induced/transformed/transfected
cells were grown.
|
FloatColumn |
PdbxEntitySrcGenExpress.getInductionTimepoint() |
The time in hours after induction/transformation/transfection at which
the optical density of the culture was measured.
|
FloatColumn |
DiffrnScaleGroup.getINet() |
The scale for a specific measurement group which is to be
multiplied with the net intensity to place all intensities
in the DIFFRN_REFLN or REFLN list on a common scale.
|
FloatColumn |
DiffrnRadiation.getInhomogeneity() |
Half-width in millimetres of the incident beam in the
direction perpendicular to the diffraction plane.
|
FloatColumn |
PdbxSerialCrystallographySampleDeliveryInjection.getInjectorDiameter() |
For continuous sample flow experiments, the diameter of the
injector in micrometres.
|
FloatColumn |
PdbxSerialCrystallographySampleDeliveryInjection.getInjectorPressure() |
For continuous sample flow experiments, the mean pressure
in kilopascals at which the sample is injected into the beam.
|
FloatColumn |
PdbxSerialCrystallographySampleDeliveryInjection.getInjectorTemperature() |
For continuous sample flow experiments, the temperature in
Kelvins of the speciman injected.
|
FloatColumn |
Refln.getIntensityCalc() |
The calculated value of the intensity in the same units as
_refln.intensity_meas.
|
FloatColumn |
Refln.getIntensityMeas() |
The measured value of the intensity.
|
FloatColumn |
DiffrnRefln.getIntensityNet() |
Net intensity calculated from the diffraction counts after the
attenuator and standard scales have been applied.
|
FloatColumn |
DiffrnRefln.getIntensitySigma() |
Standard uncertainty (estimated standard deviation) of the
intensity calculated from the diffraction counts after the
attenuator and standard scales have been applied.
|
FloatColumn |
Refln.getIntensitySigma() |
The standard uncertainty (derived from measurement) of the
intensity in the same units as _refln.intensity_meas.
|
FloatColumn |
DiffrnRefln.getIntensityU() |
Standard uncertainty of the net intensity calculated from
the diffraction counts after the attenuator and standard
scales have been applied.
|
FloatColumn |
DiffrnStandards.getIntervalTime() |
The time in minutes between the measurement of standard
reflection intensities.
|
FloatColumn |
PdbxNmrExptlSampleConditions.getIonicStrengthErr() |
Estimate of the standard error for the value for the sample ionic strength.
|
FloatColumn |
PdbxDccDensity.getIOverSigIDiff() |
The difference of the <I/SigmaI> in the last two points of the
plot of <I/SigmaI> vs resolution (expected to be negative).
|
FloatColumn |
PdbxDccDensity.getIOverSigIMean() |
The overall mean value of <I/SigmaI> for the reflections.
|
FloatColumn |
PdbxDccDensity.getIOverSigIResh() |
The <I/SigmaI> at the highest resolution bin calculated by Xtriage.
|
FloatColumn |
ReflnSysAbs.getIOverSigmaI() |
The ratio of _refln_sys_abs.I to _refln_sys_abs.sigmaI.
|
FloatColumn |
PdbxSerialCrystallographySampleDeliveryInjection.getJetDiameter() |
Diameter in micrometres of jet stream of sample delivery
|
FloatColumn |
PdbxDccDensity.getKSolvent() |
One of the scale factors used in the bulk solvent correction
(from REFMAC).
|
FloatColumn |
PdbxRefineTls.getL11() |
The elements of the libration tensor L.
|
FloatColumn |
PdbxRefineTls.getL11Esd() |
The estimated standard deviation of _pdbx_refine_tls.L.
|
FloatColumn |
PdbxRefineTls.getL12() |
The elements of the libration tensor L.
|
FloatColumn |
PdbxRefineTls.getL12Esd() |
The estimated standard deviation of _pdbx_refine_tls.L.
|
FloatColumn |
PdbxRefineTls.getL13() |
The elements of the libration tensor L.
|
FloatColumn |
PdbxRefineTls.getL13Esd() |
The estimated standard deviation of _pdbx_refine_tls.L.
|
FloatColumn |
PdbxRefineTls.getL22() |
The elements of the libration tensor L.
|
FloatColumn |
PdbxRefineTls.getL22Esd() |
The estimated standard deviation of _pdbx_refine_tls.L.
|
FloatColumn |
PdbxRefineTls.getL23() |
The elements of the libration tensor L.
|
FloatColumn |
PdbxRefineTls.getL23Esd() |
The estimated standard deviation of _pdbx_refine_tls.L.
|
FloatColumn |
PdbxRefineTls.getL33() |
The elements of the libration tensor L.
|
FloatColumn |
PdbxRefineTls.getL33Esd() |
The estimated standard deviation of _pdbx_refine_tls.L.
|
FloatColumn |
Cell.getLengthA() |
Unit-cell length a corresponding to the structure reported in
angstroms.
|
FloatColumn |
Em2dCrystalEntity.getLengthA() |
Unit-cell length a in Angstroms.
|
FloatColumn |
Em3dCrystalEntity.getLengthA() |
Unit-cell length a in Angstroms.
|
FloatColumn |
Cell.getLengthAEsd() |
The standard uncertainty (estimated standard deviation)
of _cell.length_a.
|
FloatColumn |
Cell.getLengthB() |
Unit-cell length b corresponding to the structure reported in
angstroms.
|
FloatColumn |
Em2dCrystalEntity.getLengthB() |
Unit-cell length b in Angstroms.
|
FloatColumn |
Em3dCrystalEntity.getLengthB() |
Unit-cell length b in Angstroms.
|
FloatColumn |
Cell.getLengthBEsd() |
The standard uncertainty (estimated standard deviation)
of _cell.length_b.
|
FloatColumn |
Cell.getLengthC() |
Unit-cell length c corresponding to the structure reported in
angstroms.
|
FloatColumn |
Em2dCrystalEntity.getLengthC() |
Thickness of 2D crystal
|
FloatColumn |
Em3dCrystalEntity.getLengthC() |
Unit-cell length c in Angstroms.
|
FloatColumn |
Cell.getLengthCEsd() |
The standard uncertainty (estimated standard deviation)
of _cell.length_c.
|
FloatColumn |
EmCrystalFormation.getLipidProteinRatio() |
The molar ratio of lipid to protein in the crystallized sample
|
FloatColumn |
PdbxDccMap.getLLDF() |
It is the Ligand Local Density Function defined as the
(<RsR>_local - RsR_Ligand)/sigma_RsR, where <RsR>_local is the
mean RSR of polymer residues in 5 Angstrom (including the
crystallographic symmetry) surrounding the ligand, and sigma_RsR
is sigma value calculated from the surrounding residues.
|
FloatColumn |
PdbxPhasingMR.getLLGainRotation() |
The log-likelihood gain after rotation.
|
FloatColumn |
PdbxPhasingMR.getLLGainTranslation() |
The log-likelihood gain after translation.
|
FloatColumn |
PdbxPhasingMADSet.getLoc() |
_pdbx_phasing_MAD_set.loc records lack of closure
for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getLoc() |
_pdbx_phasing_MAD_set_shell.loc records lack of closure
for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getLoc() |
_pdbx_phasing_MAD_shell.loc records lack of closure
for MAD phasing.
|
FloatColumn |
PhasingMIRDerShell.getLoc() |
The mean lack-of-closure error loc for reflections for this
derivative in this shell.
|
FloatColumn |
PhasingMIRShell.getLoc() |
The mean lack-of-closure error loc for reflections in this shell.
|
FloatColumn |
PdbxPhasingMADSet.getLocAcentric() |
_pdbx_phasing_MAD_set.loc_acentric records lack of closure
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getLocAcentric() |
_pdbx_phasing_MAD_set_shell.loc_acentric records lack of closure
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getLocAcentric() |
_pdbx_phasing_MAD_shell.loc_acentric records lack of closure
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSet.getLocCentric() |
_pdbx_phasing_MAD_set.loc_centric records lack of closure
using centric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getLocCentric() |
_pdbx_phasing_MAD_set_shell.loc_centric records lack of closure
using centric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getLocCentric() |
_pdbx_phasing_MAD_shell.loc_centric records lack of closure
using centric data for MAD phasing.
|
FloatColumn |
IhmHydroxylRadicalFpRestraint.getLogPf() |
Log (base 10) protection factor.
|
FloatColumn |
IhmHydroxylRadicalFpRestraint.getLogPfError() |
Error of Log (base 10) protection factor.
|
FloatColumn |
PdbxBondDistanceLimits.getLowerLimit() |
The lower bond distance limit.
|
FloatColumn |
EmDiffractionShell.getLowResolution() |
Low resolution limit for this shell (Angstroms)
|
FloatColumn |
Refine.getLsAbsStructureFlack() |
The measure of absolute structure (enantiomorph or polarity) as
defined by Flack (1983).
|
FloatColumn |
Refine.getLsAbsStructureFlackEsd() |
The standard uncertainty (estimated standard deviation)
of _refine.ls_abs_structure_Flack.
|
FloatColumn |
Refine.getLsAbsStructureRogers() |
The measure of absolute structure (enantiomorph or polarity) as
defined by Rogers.
|
FloatColumn |
Refine.getLsAbsStructureRogersEsd() |
The standard uncertainty (estimated standard deviation)
of _refine.ls_abs_structure_Rogers.
|
FloatColumn |
PdbxDccDensity.getLsDResHigh() |
The highest resolution limit reported in the model file.
|
FloatColumn |
PdbxDccDensityCorr.getLsDResHigh() |
The highest resolution limit in calculating the metrics in
this category.
|
FloatColumn |
Refine.getLsDResHigh() |
The smallest value for the interplanar spacings for the
reflection data used in the refinement in angstroms.
|
FloatColumn |
PdbxDccDensity.getLsDResHighSf() |
The highest resolution limit calculated from the structure
factor file.
|
FloatColumn |
PdbxDccDensityCorr.getLsDResLow() |
The lowest resolution limit in calculating the metrics in
this category.
|
FloatColumn |
Refine.getLsDResLow() |
The largest value for the interplanar spacings for
the reflection data used in the refinement in angstroms.
|
FloatColumn |
PdbxDccDensity.getLsDResLowSf() |
The lowest resolution limit calculated from the structure
factor file.
|
FloatColumn |
Refine.getLsExtinctionCoef() |
The extinction coefficient used to calculate the correction
factor applied to the structure-factor data.
|
FloatColumn |
Refine.getLsExtinctionCoefEsd() |
The standard uncertainty (estimated standard deviation)
of _refine.ls_extinction_coef.
|
FloatColumn |
Refine.getLsGoodnessOfFitAll() |
The least-squares goodness-of-fit parameter S for all data
after the final cycle of refinement.
|
FloatColumn |
Refine.getLsGoodnessOfFitAllEsd() |
The standard uncertainty (estimated standard deviation)
of _refine.ls_goodness_of_fit_all.
|
FloatColumn |
Refine.getLsGoodnessOfFitGt() |
The least-squares goodness-of-fit parameter S for
significantly intense reflections (see
_reflns.threshold_expression) after the final cycle of
refinement.
|
FloatColumn |
Refine.getLsGoodnessOfFitObs() |
The least-squares goodness-of-fit parameter S for reflection data
classified as 'observed' (see _reflns.observed_criterion) after
the final cycle of refinement.
|
FloatColumn |
Refine.getLsGoodnessOfFitObsEsd() |
The standard uncertainty (estimated standard deviation)
of _refine.ls_goodness_of_fit_obs.
|
FloatColumn |
Refine.getLsGoodnessOfFitRef() |
The least-squares goodness-of-fit parameter S for all
reflections included in the refinement after the final cycle
of refinement.
|
FloatColumn |
PdbxDccDensityCorr.getLsPercentReflnsObs() |
The percentage of unique reflections (work+test sets).
|
FloatColumn |
Refine.getLsPercentReflnsObs() |
The number of reflections that satisfy the resolution limits
established by _refine.ls_d_res_high and _refine.ls_d_res_low
and the observation limit established by
_reflns.observed_criterion, expressed as a percentage of the
number of geometrically observable reflections that satisfy
the resolution limits.
|
FloatColumn |
Refine.getLsPercentReflnsRFree() |
The number of reflections that satisfy the resolution limits
established by _refine.ls_d_res_high and _refine.ls_d_res_low
and the observation limit established by
_reflns.observed_criterion, and that were used as the test
reflections (i.e.
|
FloatColumn |
Refine.getLsRedundancyReflnsAll() |
The ratio of the total number of observations of the
reflections that satisfy the resolution limits established by
_refine.ls_d_res_high and _refine.ls_d_res_low to the number
of crystallographically unique reflections that satisfy the
same limits.
|
FloatColumn |
Refine.getLsRedundancyReflnsObs() |
The ratio of the total number of observations of the
reflections that satisfy the resolution limits established by
_refine.ls_d_res_high and _refine.ls_d_res_low and the
observation limit established by _reflns.observed_criterion to
the number of crystallographically unique reflections that
satisfy the same limits.
|
FloatColumn |
Refine.getLsRestrainedSAll() |
The least-squares goodness-of-fit parameter S' for all
reflections after the final cycle of least-squares refinement.
|
FloatColumn |
Refine.getLsRestrainedSObs() |
The least-squares goodness-of-fit parameter S' for reflection
data classified as observed (see _reflns.observed_criterion)
after the final cycle of least-squares refinement.
|
FloatColumn |
Refine.getLsRFactorAll() |
Residual factor R for all reflections that satisfy the resolution
limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low.
|
FloatColumn |
Refine.getLsRFactorGt() |
Residual factor for the reflections (with number given by
_reflns.number_gt) judged significantly intense (i.e.
|
FloatColumn |
Refine.getLsRFactorObs() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion.
|
FloatColumn |
PdbxDccDensityCorr.getLsRFactorRAll() |
The calculated Rfactor using all the data.
|
FloatColumn |
PdbxDccDensityCorr.getLsRFactorRFree() |
The calculated Rfree using the test set data.
|
FloatColumn |
Refine.getLsRFactorRFree() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion, and that were used as the test
reflections (i.e.
|
FloatColumn |
Refine.getLsRFactorRFreeError() |
The estimated error in _refine.ls_R_factor_R_free.
|
FloatColumn |
PdbxDccDensityCorr.getLsRFactorRWork() |
The calculated Rfactor using the working set data.
|
FloatColumn |
Refine.getLsRFactorRWork() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion, and that were used as the working
reflections (i.e.
|
FloatColumn |
Refine.getLsRFsqdFactorObs() |
Residual factor R(Fsqd) for reflections that satisfy the
resolution limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion, calculated on the squares of the
observed and calculated structure-factor amplitudes.
|
FloatColumn |
Refine.getLsRIFactorObs() |
Residual factor R(I) for reflections that satisfy the
resolution limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion, calculated on the estimated
reflection intensities.
|
FloatColumn |
Refine.getLsShiftOverEsdMax() |
The largest ratio of the final least-squares parameter shift
to the final standard uncertainty (estimated standard
deviation).
|
FloatColumn |
Refine.getLsShiftOverEsdMean() |
The average ratio of the final least-squares parameter shift
to the final standard uncertainty (estimated standard
deviation).
|
FloatColumn |
Refine.getLsShiftOverSuMax() |
The largest ratio of the final least-squares parameter
shift to the final standard uncertainty.
|
FloatColumn |
Refine.getLsShiftOverSuMaxLt() |
An upper limit for the largest ratio of the final
least-squares parameter shift to the final
standard uncertainty.
|
FloatColumn |
Refine.getLsShiftOverSuMean() |
The average ratio of the final least-squares parameter
shift to the final standard uncertainty.
|
FloatColumn |
Refine.getLsShiftOverSuMeanLt() |
An upper limit for the average ratio of the final
least-squares parameter shift to the
final standard uncertainty.
|
FloatColumn |
Refine.getLsWRFactorAll() |
Weighted residual factor wR for all reflections that satisfy the
resolution limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low.
|
FloatColumn |
Refine.getLsWRFactorObs() |
Weighted residual factor wR for reflections that satisfy the
resolution limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion.
|
FloatColumn |
Refine.getLsWRFactorRFree() |
Weighted residual factor wR for reflections that satisfy the
resolution limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion, and that were used as the test
reflections (i.e.
|
FloatColumn |
Refine.getLsWRFactorRWork() |
Weighted residual factor wR for reflections that satisfy the
resolution limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion, and that were used as the working
reflections (i.e.
|
FloatColumn |
RefineAnalyze.getLuzzatiCoordinateErrorFree() |
The estimated coordinate error obtained from the plot of
the R value versus sin(theta)/lambda for the reflections
treated as a test set during refinement.
|
FloatColumn |
RefineAnalyze.getLuzzatiCoordinateErrorObs() |
The estimated coordinate error obtained from the plot of
the R value versus sin(theta)/lambda for reflections classified
as observed.
|
FloatColumn |
RefineAnalyze.getLuzzatiDResLowFree() |
The value of the low-resolution cutoff used in constructing the
Luzzati plot for reflections treated as a test set during
refinement.
|
FloatColumn |
RefineAnalyze.getLuzzatiDResLowObs() |
The value of the low-resolution cutoff used in
constructing the Luzzati plot for reflections classified as
observed.
|
FloatColumn |
RefineAnalyze.getLuzzatiSigmaAFree() |
The value of sigma~a~ used in constructing the Luzzati plot for
the reflections treated as a test set during refinement.
|
FloatColumn |
RefineAnalyze.getLuzzatiSigmaAObs() |
The value of sigma~a~ used in constructing the Luzzati plot for
reflections classified as observed.
|
FloatColumn |
IhmGeometricObjectTorus.getMajorRadiusR() |
Major radius "R" of the torus.
|
FloatColumn |
PdbxStructLegacyOperList.getMatrix11() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getMatrix11() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getMatrix11() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getMatrix11() |
The elements of the 3x3 matrix component of a
noncrystallographic symmetry operation.
|
FloatColumn |
PdbxStructLegacyOperList.getMatrix12() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getMatrix12() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getMatrix12() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getMatrix12() |
The elements of the 3x3 matrix component of a
noncrystallographic symmetry operation.
|
FloatColumn |
PdbxStructLegacyOperList.getMatrix13() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getMatrix13() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getMatrix13() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getMatrix13() |
The elements of the 3x3 matrix component of a
noncrystallographic symmetry operation.
|
FloatColumn |
PdbxStructLegacyOperList.getMatrix21() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getMatrix21() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getMatrix21() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getMatrix21() |
The elements of the 3x3 matrix component of a
noncrystallographic symmetry operation.
|
FloatColumn |
PdbxStructLegacyOperList.getMatrix22() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getMatrix22() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getMatrix22() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getMatrix22() |
The elements of the 3x3 matrix component of a
noncrystallographic symmetry operation.
|
FloatColumn |
PdbxStructLegacyOperList.getMatrix23() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getMatrix23() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getMatrix23() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getMatrix23() |
The elements of the 3x3 matrix component of a
noncrystallographic symmetry operation.
|
FloatColumn |
PdbxStructLegacyOperList.getMatrix31() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getMatrix31() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getMatrix31() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getMatrix31() |
The elements of the 3x3 matrix component of a
noncrystallographic symmetry operation.
|
FloatColumn |
PdbxStructLegacyOperList.getMatrix32() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getMatrix32() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getMatrix32() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getMatrix32() |
The elements of the 3x3 matrix component of a
noncrystallographic symmetry operation.
|
FloatColumn |
PdbxStructLegacyOperList.getMatrix33() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getMatrix33() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getMatrix33() |
The elements of the 3x3 matrix component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getMatrix33() |
The elements of the 3x3 matrix component of a
noncrystallographic symmetry operation.
|
FloatColumn |
PdbxDccDensity.getMatthewCoeff() |
The Matthew coefficient.
|
FloatColumn |
PdbxNmrEnsemble.getMaximumDistanceConstraintViolation() |
The maximum distance constraint violation for the ensemble.
|
FloatColumn |
PdbxNmrEnsemble.getMaximumLowerDistanceConstraintViolation() |
The maximum lower distance constraint violation for the ensemble.
|
FloatColumn |
PdbxNmrEnsemble.getMaximumTorsionAngleConstraintViolation() |
The maximum torsion angle constraint violation for the ensemble.
|
FloatColumn |
PdbxNmrEnsemble.getMaximumUpperDistanceConstraintViolation() |
The maximum upper distance constraint violation for the ensemble.
|
FloatColumn |
PdbxSolnScatter.getMaxMeanCrossSectionalRadiiGyration() |
The maximum mean radius of structural elongation of the sample.
|
FloatColumn |
PdbxSolnScatter.getMaxMeanCrossSectionalRadiiGyrationEsd() |
The estimated standard deviation for the
minimum mean radius of structural elongation of the sample.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getMaxtorsion() |
The maximum torsion value sigma-m, c1_c2_c3_c4/cos(P) of this monomer.
|
FloatColumn |
StructMonNucl.getMeanBAll() |
The mean value of the isotropic displacement parameter
for all atoms in the monomer.
|
FloatColumn |
StructMonProt.getMeanBAll() |
The mean value of the isotropic displacement parameter for all
atoms in the monomer.
|
FloatColumn |
StructMonNucl.getMeanBBase() |
The mean value of the isotropic displacement parameter
for atoms in the base moiety of the nucleic acid monomer.
|
FloatColumn |
StructMonProt.getMeanBMain() |
The mean value of the isotropic displacement parameter for atoms
in the main chain of the monomer.
|
FloatColumn |
StructMonNucl.getMeanBPhos() |
The mean value of the isotropic displacement parameter
for atoms in the phosphate moiety of the nucleic acid monomer.
|
FloatColumn |
StructMonProt.getMeanBSide() |
The mean value of the isotropic displacement parameter for atoms
in the side chain of the monomer.
|
FloatColumn |
StructMonNucl.getMeanBSugar() |
The mean value of the isotropic displacement parameter
for atoms in the sugar moiety of the nucleic acid monomer.
|
FloatColumn |
IhmGaussianObjEnsemble.getMeanCartnX() |
The mean Cartesian X component corresponding to this gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getMeanCartnX() |
The mean Cartesian X component corresponding to this gaussian object.
|
FloatColumn |
IhmGaussianObjEnsemble.getMeanCartnY() |
The mean Cartesian Y component corresponding to this gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getMeanCartnY() |
The mean Cartesian Y component corresponding to this gaussian object.
|
FloatColumn |
IhmGaussianObjEnsemble.getMeanCartnZ() |
The mean Cartesian Z component corresponding to this gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getMeanCartnZ() |
The mean Cartesian Z component corresponding to this gaussian object.
|
FloatColumn |
PdbxDccDensity.getMeanE21Abs() |
Value of <|E^2 - 1|> calculated by Xtriage using acentric
reflections.(untwinned: 0.736; perfect twin 0.541).
|
FloatColumn |
PhasingMADExpt.getMeanFom() |
The mean figure of merit.
|
FloatColumn |
PdbxDccDensity.getMeanFSquareOverMeanF2() |
Value of <F>^2/<F^2> calculated by Xtriage using acentric
reflections.(untwinned: 0.785; perfect twin 0.885).
|
FloatColumn |
PdbxReflnsTwin.getMeanFSquareOverMeanF2() |
The ideal statistics for twinned crystals.
|
FloatColumn |
PdbxSolnScatter.getMeanGuinerRadius() |
The mean radius of structural elongation of the sample.
|
FloatColumn |
PdbxSolnScatter.getMeanGuinerRadiusEsd() |
The estimated standard deviation for the
mean radius of structural elongation of the sample.
|
FloatColumn |
PdbxDccDensity.getMeanI2OverMeanISquare() |
Value of <I^2>/<I>^2 calculated by Xtriage using acentric
reflections.(untwinned: 2.000; perfect twin 1.500).
|
FloatColumn |
PdbxReflnsTwin.getMeanI2OverMeanISquare() |
The ideal statistics for twinned crystals.
|
FloatColumn |
ReflnsShell.getMeanIOverSigIAll() |
The ratio of the mean of the intensities of all reflections
in this shell to the mean of the standard uncertainties of the
intensities of all reflections in this shell.
|
FloatColumn |
ReflnsShell.getMeanIOverSigIGt() |
The ratio of the mean of the intensities of the significantly
intense reflections (see _reflns.threshold_expression) in
this shell to the mean of the standard uncertainties of the
intensities of the significantly intense reflections in this
shell.
|
FloatColumn |
ReflnsShell.getMeanIOverSigIObs() |
The ratio of the mean of the intensities of the reflections
classified as 'observed' (see _reflns.observed_criterion) in
this shell to the mean of the standard uncertainties of the
intensities of the 'observed' reflections in this
shell.
|
FloatColumn |
ReflnsShell.getMeanIOverUIAll() |
The ratio of the mean of the intensities of all reflections
in this shell to the mean of the standard uncertainties of the
intensities of all reflections in this shell.
|
FloatColumn |
ReflnsShell.getMeanIOverUIGt() |
The ratio of the mean of the intensities of the significantly
intense reflections (see _reflns.threshold_expression) in
this shell to the mean of the standard uncertainties of the
intensities of the significantly intense reflections in this
shell.
|
FloatColumn |
Refln.getMeanPathLengthTbar() |
Mean path length in millimetres through the crystal for this
reflection.
|
FloatColumn |
PhasingMIRShell.getMeanPhase() |
The mean of the phase values for all reflections in this shell.
|
FloatColumn |
ReflnsScale.getMeasF() |
A scale associated with _reflns_scale.group_code.
|
FloatColumn |
ReflnsScale.getMeasFSquared() |
A scale associated with _reflns_scale.group_code.
|
FloatColumn |
ReflnsScale.getMeasIntensity() |
A scale associated with _reflns_scale.group_code.
|
FloatColumn |
IhmCrossLinkResult.getMedianDistance() |
The median distance between the crosslinked residues in the sampled models.
|
FloatColumn |
Chemical.getMeltingPoint() |
The temperature in kelvins at which the crystalline solid changes
to a liquid.
|
FloatColumn |
Chemical.getMeltingPointGt() |
A temperature in kelvins above
which the melting point (the temperature at which the
crystalline solid changes to a liquid) lies.
|
FloatColumn |
Chemical.getMeltingPointLt() |
A temperature in kelvins below which the melting point (the
temperature at which the crystalline solid changes to a liquid)
lies.
|
FloatColumn |
IhmDerivedDistanceRestraint.getMicValue() |
The value of the Maximal Information Co-efficient (MIC), if applicable.
|
FloatColumn |
PdbxSolnScatter.getMinMeanCrossSectionalRadiiGyration() |
The minimum mean radius of structural elongation of the sample.
|
FloatColumn |
PdbxSolnScatter.getMinMeanCrossSectionalRadiiGyrationEsd() |
The estimated standard deviation for the
minimum mean radius of structural elongation of the sample.
|
FloatColumn |
IhmGeometricObjectTorus.getMinorRadiusR() |
Minor radius "r" of the torus.
|
FloatColumn |
ChemCompAtom.getModelCartnX() |
The x component of the coordinates for this atom in this
component specified as orthogonal angstroms.
|
FloatColumn |
PdbxChemCompModelAtom.getModelCartnX() |
The x component of the coordinates for this atom in this
component model specified as orthogonal angstroms.
|
FloatColumn |
ChemCompAtom.getModelCartnXEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_comp_atom.model_Cartn_x.
|
FloatColumn |
ChemCompAtom.getModelCartnY() |
The y component of the coordinates for this atom in this
component specified as orthogonal angstroms.
|
FloatColumn |
PdbxChemCompModelAtom.getModelCartnY() |
The y component of the coordinates for this atom in this
component model specified as orthogonal angstroms.
|
FloatColumn |
ChemCompAtom.getModelCartnYEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_comp_atom.model_Cartn_y.
|
FloatColumn |
ChemCompAtom.getModelCartnZ() |
The z component of the coordinates for this atom in this
component specified as orthogonal angstroms.
|
FloatColumn |
PdbxChemCompModelAtom.getModelCartnZ() |
The z component of the coordinates for this atom in this
component model specified as orthogonal angstroms.
|
FloatColumn |
ChemCompAtom.getModelCartnZEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_comp_atom.model_Cartn_z.
|
FloatColumn |
EmAssembly.getMolWtExp() |
The value (in megadaltons) of the experimentally
determined molecular weight of the assembly.
|
FloatColumn |
EmAssembly.getMolWtTheo() |
The value (in megadaltons) of the theoretically
determined molecular weight of the assembly.
|
FloatColumn |
PdbxDataProcessingCell.getMosaicity() |
Unit cell mosaicity.
|
FloatColumn |
EmDiffractionShell.getMultiplicity() |
Multiplicity (average number of measurements) for the structure factors in this resolution shell
|
FloatColumn |
PdbxEntitySrcGenExpress.getMultiplicityOfInfection() |
The multiplicity of infection for genes introduced by transfection, eg.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getN1C2() |
The n1_c2 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getN1C6() |
The n1_c6 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getN9C4() |
The n9_c4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getN9C8() |
The n9_c8 covalent element of this monomer.
|
FloatColumn |
PdbxDistantSolventAtoms.getNeighborLigandDistance() |
Distance to closest neighboring ligand or solvent atom.
|
FloatColumn |
PdbxDistantSolventAtoms.getNeighborMacromoleculeDistance() |
Distance to closest neighboring macromolecule atom.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getNextC3O3PO5() |
The next_c3_o3_p_o5 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getNextC4C3O3P() |
The next_c4_c3_o3_p covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getNextC4O4C1N19() |
The next_c4_o4_c1_n1_9 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getNextC5C4C3O3() |
The next_c5_c4_c3_o3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getNextO3PO5C5() |
The next_o3_p_o5_c5 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getNextO4C1N19C24() |
The next_o4_c1_n1_9_c2_4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getNextO5C5C4C3() |
The next_o5_c5_c4_c3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getNextPO5C5C4() |
The next_p_o5_c5_c4 covalent element of this monomer.
|
FloatColumn |
EmImaging.getNominalCs() |
The spherical aberration coefficient (Cs) in millimeters,
of the objective lens.
|
FloatColumn |
EmImaging.getNominalDefocusMax() |
The maximum defocus value of the objective lens (in nanometers) used
to obtain the recorded images.
|
FloatColumn |
EmImaging.getNominalDefocusMin() |
The minimum defocus value of the objective lens (in nanometers) used
to obtain the recorded images.
|
FloatColumn |
Em3dReconstruction.getNominalPixelSize() |
The nominal pixel size of the projection set of images.
|
FloatColumn |
PdbxNmrForceConstants.getNon_bondedInterConfDbPotentialTerm() |
The force constant used for the non-bonded interaction conformational
database potential term employed in the target function used for simulated
annealing.
|
FloatColumn |
PdbxNmrForceConstants.getNon_bondedInterRadiusOfGyrationTerm() |
The force constant used for the non-bonded interaction radius of
gyration term employed in the target function used for simulated annealing.
|
FloatColumn |
PdbxNmrForceConstants.getNon_bondedInterVanDerWaalsTerm() |
The force constant used for the non-bonded interaction van der Waals
term employed in the target function used for simulated annealing.
|
FloatColumn |
PdbxDccGeometry.getNon_bondedRms() |
The overall on-bonded distance (all atoms).
|
FloatColumn |
StructMonNucl.getNu0() |
The value in degrees of the sugar torsion angle nu0
(C4'-O4'-C1'-C2').
|
FloatColumn |
StructMonNucl.getNu1() |
The value in degrees of the sugar torsion angle nu1
(O4'-C1'-C2'-C3').
|
FloatColumn |
StructMonNucl.getNu2() |
The value in degrees of the sugar torsion angle nu2
(C1'-C2'-C3'-C4').
|
FloatColumn |
StructMonNucl.getNu3() |
The value in degrees of the sugar torsion angle nu3
(C2'-C3'-C4'-O4').
|
FloatColumn |
StructMonNucl.getNu4() |
The value in degrees of the sugar torsion angle nu4
(C3'-C4'-O4'-C1').
|
FloatColumn |
RefineAnalyze.getNumberDisorderedResidues() |
The number of discretely disordered residues in the refined
model.
|
FloatColumn |
PdbxRefine.getNumberReflnsObs4sigCutoff() |
Total number of reflections (4 sigma cutoff).
|
FloatColumn |
PdbxRefine.getNumberReflnsObsNoCutoff() |
Total number of reflections (no cutoff).
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO1pPO2p() |
The o1p_p_o2p covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO3C3C2O2() |
The o3_c3_c2_o2 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO3P() |
The o3_p covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO3PO5() |
The o3_p_o5 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO3PO5C5() |
The o3_p_o5_c5 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO4C1() |
The o4_c1 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO4C1C2() |
The o4_c1_c2 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO4C1C2C3() |
The o4_c1_c2_c3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO4C1N19() |
The o4_c1_n1_9 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO4C1N19C24() |
The o4_c1_n1_9_c2_4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO4C1N19C68() |
The o4_c1_n1_9_c6_8 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO4C4C3O3() |
The o4_c4_c3_o3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO5C5() |
The o5_c5 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO5C5C4() |
The o5_c5_c4 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO5C5C4C3() |
The o5_c5_c4_c3 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getO5C5C4O4() |
The o5_c5_c4_o4 covalent element of this monomer.
|
FloatColumn |
IhmSphereObjSite.getObjectRadius() |
The radius associated with the primitive sphere object at this position.
|
FloatColumn |
Reflns.getObservedCriterionFMax() |
The criterion used to classify a reflection as 'observed'
expressed as an upper limit for the value of F.
|
FloatColumn |
Reflns.getObservedCriterionFMin() |
The criterion used to classify a reflection as 'observed'
expressed as a lower limit for the value of F.
|
FloatColumn |
Reflns.getObservedCriterionIMax() |
The criterion used to classify a reflection as 'observed'
expressed as an upper limit for the value of I.
|
FloatColumn |
Reflns.getObservedCriterionIMin() |
The criterion used to classify a reflection as 'observed'
expressed as a lower limit for the value of I.
|
FloatColumn |
Reflns.getObservedCriterionSigmaF() |
The criterion used to classify a reflection as 'observed'
expressed as a multiple of the value of sigma(F).
|
FloatColumn |
Reflns.getObservedCriterionSigmaI() |
The criterion used to classify a reflection as 'observed'
expressed as a multiple of the value of sigma(I).
|
FloatColumn |
AtomSite.getOccupancy() |
The fraction of the atom type present at this site.
|
FloatColumn |
PdbxPhasingMADSetSite.getOccupancy() |
_pdbx_phasing_MAD_set_site.occupancy records the fraction
of the atom type presented at this site.
|
FloatColumn |
PdbxRemediationAtomSiteMapping.getOccupancy() |
The fraction of the atom type present at the current atom site.
|
FloatColumn |
PdbxSolventAtomSiteMapping.getOccupancy() |
The fraction of the atom type present at the current atom site.
|
FloatColumn |
PhasingMIRDerSite.getOccupancy() |
The fraction of the atom type present at this heavy-atom site
in a given derivative.
|
FloatColumn |
PhasingMIRDerSite.getOccupancyAnom() |
The relative anomalous occupancy of the atom type
present at this heavy-atom site in a given derivative.
|
FloatColumn |
PhasingMIRDerSite.getOccupancyAnomSu() |
The standard uncertainty (estimated standard deviation) of
_phasing_MIR_der_site.occupancy_anom.
|
FloatColumn |
AtomSite.getOccupancyEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.occupancy.
|
FloatColumn |
PdbxPhasingMADSetSite.getOccupancyEsd() |
_pdbx_phasing_MAD_set_site.occupancy_esd records estimated
standard deviation of the fraction
of the atom type presented at this site.
|
FloatColumn |
PdbxPhasingMADSetSite.getOccupancyIso() |
The relative real isotropic occupancy of the atom type
present at this heavy-atom site in a given atom site.
|
FloatColumn |
PhasingMIRDerSite.getOccupancyIso() |
The relative real isotropic occupancy of the atom type
present at this heavy-atom site in a given derivative.
|
FloatColumn |
PhasingMIRDerSite.getOccupancyIsoSu() |
The standard uncertainty (estimated standard deviation) of
_phasing_MIR_der_site.occupancy_iso.
|
FloatColumn |
PdbxDccDensity.getOccupancyMax() |
The maximum occupancy reported in the model file.
|
FloatColumn |
Refine.getOccupancyMax() |
The maximum value for occupancy found in the coordinate set.
|
FloatColumn |
PdbxDccDensity.getOccupancyMean() |
The averaged occupancy reported in the model file.
|
FloatColumn |
PdbxDccMap.getOccupancyMean() |
The averaged occupancy for the residue.
|
FloatColumn |
PdbxDccRsccMapman.getOccupancyMean() |
The average occupancy for the residue.
|
FloatColumn |
PdbxDccMap.getOccupancyMeanMainChain() |
The averaged occupancy forthe main chain atoms.
|
FloatColumn |
PdbxDccMap.getOccupancyMeanPhosphateGroup() |
The averaged occupancy forthe phosphate atoms.
|
FloatColumn |
PdbxDccMap.getOccupancyMeanSideChain() |
The averaged occupancy forthe side chain atoms.
|
FloatColumn |
PdbxDccDensity.getOccupancyMin() |
The minimum occupancy reported in the model file.
|
FloatColumn |
Refine.getOccupancyMin() |
The minimum value for occupancy found in the coordinate set.
|
FloatColumn |
RefineAnalyze.getOccupancySumHydrogen() |
The sum of the occupancies of the hydrogen atoms in the refined
model.
|
FloatColumn |
RefineAnalyze.getOccupancySumNonHydrogen() |
The sum of the occupancies of the non-hydrogen atoms in the
refined model.
|
FloatColumn |
EmImageScans.getOdRange() |
The optical density range (OD=-log 10 transmission).
|
FloatColumn |
PdbxValidateChiral.getOmega() |
The value of the OMEGA angle for the peptide linkage between
the two defined residues
|
FloatColumn |
PdbxValidatePeptideOmega.getOmega() |
The value of the OMEGA angle for the peptide linkage between
the two defined residues
|
FloatColumn |
StructMonProt.getOmega() |
The value in degrees of the main-chain torsion angle omega.
|
FloatColumn |
NdbStructNaBasePair.getOpening() |
The value of the base pair opening parameter.
|
FloatColumn |
PdbxRefineTls.getOriginX() |
The x coordinate in angstroms of the origin to which the
TLS parameters are referred, specified according to
a set of orthogonal Cartesian axes related to the cell axes as
given in _atom_sites.Cartn_transform_axes.
|
FloatColumn |
PdbxRefineTls.getOriginY() |
The y coordinate in angstroms of the origin to which the
TLS parameters are referred, specified according to
a set of orthogonal Cartesian axes related to the cell axes as
given in _atom_sites.Cartn_transform_axes.
|
FloatColumn |
PdbxRefineTls.getOriginZ() |
The z coordinate in angstroms of the origin to which the
TLS parameters are referred, specified according to
a set of orthogonal Cartesian axes related to the cell axes as
given in _atom_sites.Cartn_transform_axes.
|
FloatColumn |
DatabasePDBMatrix.getOrigx11() |
The elements of the PDB ORIGX matrix.
|
FloatColumn |
DatabasePDBMatrix.getOrigx12() |
The elements of the PDB ORIGX matrix.
|
FloatColumn |
DatabasePDBMatrix.getOrigx13() |
The elements of the PDB ORIGX matrix.
|
FloatColumn |
DatabasePDBMatrix.getOrigx21() |
The elements of the PDB ORIGX matrix.
|
FloatColumn |
DatabasePDBMatrix.getOrigx22() |
The elements of the PDB ORIGX matrix.
|
FloatColumn |
DatabasePDBMatrix.getOrigx23() |
The elements of the PDB ORIGX matrix.
|
FloatColumn |
DatabasePDBMatrix.getOrigx31() |
The elements of the PDB ORIGX matrix.
|
FloatColumn |
DatabasePDBMatrix.getOrigx32() |
The elements of the PDB ORIGX matrix.
|
FloatColumn |
DatabasePDBMatrix.getOrigx33() |
The elements of the PDB ORIGX matrix.
|
FloatColumn |
DatabasePDBMatrix.getOrigxVector1() |
The elements of the PDB ORIGX vector.
|
FloatColumn |
DatabasePDBMatrix.getOrigxVector2() |
The elements of the PDB ORIGX vector.
|
FloatColumn |
DatabasePDBMatrix.getOrigxVector3() |
The elements of the PDB ORIGX vector.
|
FloatColumn |
EmStartModel.getOrthogonalTiltAngle1() |
Tilt angle for the 1st image set of the orthogonal tilt pairs
|
FloatColumn |
EmStartModel.getOrthogonalTiltAngle2() |
Tilt angle for the 2nd image set of the orthogonal tilt pairs
|
FloatColumn |
PdbxCrystalAlignment.getOscillationEnd() |
Ending oscillation angle (in degrees) (default end = start + range).
|
FloatColumn |
PdbxCrystalAlignment.getOscillationRange() |
The actual oscillation angle (normally <1.0 degree).
|
FloatColumn |
PdbxCrystalAlignment.getOscillationStart() |
Starting oscillation angle (in degrees) .
|
FloatColumn |
Em3dFitting.getOverallBValue() |
The overall B (temperature factor) value for the 3d-em volume.
|
FloatColumn |
Refine.getOverallFOMFreeRSet() |
Average figure of merit of phases of reflections not included
in the refinement.
|
FloatColumn |
Refine.getOverallFOMWorkRSet() |
Average figure of merit of phases of reflections included in
the refinement.
|
FloatColumn |
EmDiffractionStats.getOverallPhaseError() |
Overall phase error in degrees
|
FloatColumn |
EmDiffractionStats.getOverallPhaseResidual() |
Overall phase residual in degrees
|
FloatColumn |
PdbxDccGeometry.getOverallScore() |
The overall score for the geometry (the smaller the better).
|
FloatColumn |
Refine.getOverallSUB() |
The overall standard uncertainty (estimated standard deviation)
of the displacement parameters based on a maximum-likelihood
residual.
|
FloatColumn |
Refine.getOverallSUML() |
The overall standard uncertainty (estimated standard deviation)
of the positional parameters based on a maximum likelihood
residual.
|
FloatColumn |
Refine.getOverallSURCruickshankDPI() |
The overall standard uncertainty (estimated standard deviation)
of the displacement parameters based on the crystallographic
R value, expressed in a formalism known as the dispersion
precision indicator (DPI).
|
FloatColumn |
Refine.getOverallSURFree() |
The overall standard uncertainty (estimated standard deviation)
of the displacement parameters based on the free R value.
|
FloatColumn |
StructMonNucl.getP() |
P is the phase angle of pseudorotation for five-membered rings.
|
FloatColumn |
PdbxPhasingMR.getPacking() |
The value of _pdbx_phasing_MR.packing identifies the packing of
search model in the unit cell.
|
FloatColumn |
PdbxDccDensity.getPadilla_YeatesL2Mean() |
Value of <L^2> calculated by Xtriage using acentric reflections.
|
FloatColumn |
PdbxDccDensity.getPadilla_YeatesL2MeanPointless() |
Value of <L^2> calculated by Pointless using acentric reflections.
|
FloatColumn |
PdbxDccDensity.getPadilla_YeatesLMean() |
Value of <|L|> calculated by Xtriage using acentric reflections.
|
FloatColumn |
ChemCompAtom.getPartialCharge() |
The partial charge assigned to this atom.
|
FloatColumn |
Refln.getPdbxAnomalousDiff() |
The measured anomalous difference.
|
FloatColumn |
Refln.getPdbxAnomalousDiffSigma() |
The standard deviation in the anomalous difference.
|
FloatColumn |
Refln.getPdbxAnomDifference() |
The amplitude difference of the Friedel pair,
D(hkl) = F(hkl) - F(-h-k-l).
|
FloatColumn |
Refln.getPdbxAnomDifferenceSigma() |
The the standard deviation of the amplitude difference
of the Friedel pair, D(hkl) = F(hkl) - F(-h-k-l).
|
FloatColumn |
Refine.getPdbxAverageFscFree() |
Average Fourier Shell Correlation (avgFSC) between model and
observed structure factors for reflections not included in refinement.
|
FloatColumn |
Refine.getPdbxAverageFscOverall() |
Overall average Fourier Shell Correlation (avgFSC) between model and
observed structure factors for all reflections.
|
FloatColumn |
Refine.getPdbxAverageFscWork() |
Average Fourier Shell Correlation (avgFSC) between model and
observed structure factors for reflections included in refinement.
|
FloatColumn |
RefineHist.getPdbxBIsoMeanLigand() |
Mean isotropic B-value for ligand molecules included in refinement.
|
FloatColumn |
RefineHist.getPdbxBIsoMeanSolvent() |
Mean isotropic B-value for solvent molecules included in refinement.
|
FloatColumn |
Reflns.getPdbxCCHalf() |
The Pearson's correlation coefficient expressed as a decimal value
between the average intensities from randomly selected
half-datasets.
|
FloatColumn |
ReflnsShell.getPdbxCCHalf() |
The Pearson's correlation coefficient expressed as a decimal value
between the average intensities from randomly selected
half-datasets within the resolution shell.
|
FloatColumn |
Reflns.getPdbxCCStar() |
Estimates the value of CC_true, the true correlation coefficient between
the average intensities from randomly selected half-datasets.
|
FloatColumn |
ReflnsShell.getPdbxCCStar() |
Estimates the value of CC_true, the true correlation coefficient
between the average intensities from randomly selected half-datasets
within the resolution shell.
|
FloatColumn |
DiffrnReflns.getPdbxChiSquared() |
Overall Chi-squared statistic for the data set.
|
FloatColumn |
Reflns.getPdbxChiSquared() |
Overall Chi-squared statistic.
|
FloatColumn |
ReflnsShell.getPdbxChiSquared() |
Chi-squared statistic for this resolution shell.
|
FloatColumn |
DiffrnDetector.getPdbxCollectionTimeTotal() |
The total number of seconds required to measure this
data set.
|
FloatColumn |
StructBiolGen.getPdbxColorBlue() |
Gives rgb color code of this strand.
|
FloatColumn |
StructBiolGen.getPdbxColorGreen() |
Gives rgb color code of this strand.
|
FloatColumn |
StructBiolGen.getPdbxColorRed() |
Gives rgb color code of this strand.
|
FloatColumn |
Refln.getPdbxCosPhaseCalc() |
The cosine of the calculated phase
|
FloatColumn |
ExptlCrystal.getPdbxCrystalDiffrnLifetime() |
The measured diffraction limit for this crystal.
|
FloatColumn |
ExptlCrystal.getPdbxCrystalDiffrnLimit() |
The measured diffraction limit for this crystal.
|
FloatColumn |
ExptlCrystal.getPdbxCrystalDirection1() |
The crystal size along the first measured direction in millimeters.
|
FloatColumn |
ExptlCrystal.getPdbxCrystalDirection2() |
The crystal size along the second measured direction in millimeters.
|
FloatColumn |
ExptlCrystal.getPdbxCrystalDirection3() |
The crystal size along the third measured direction in millimeters.
|
FloatColumn |
Refine.getPdbxDataCutoffHighAbsF() |
Value of F at "high end" of data cutoff.
|
FloatColumn |
Refine.getPdbxDataCutoffHighRmsAbsF() |
Value of RMS |F| used as high data cutoff.
|
FloatColumn |
Refine.getPdbxDataCutoffLowAbsF() |
Value of F at "low end" of data cutoff.
|
FloatColumn |
Refln.getPdbxDELFWT() |
The weighted structure factor amplitude for the mFo-DFc map.
|
FloatColumn |
Refln.getPdbxDELPHWT() |
The weighted phase for the mFo-DFc map.
|
FloatColumn |
Refine.getPdbxDensityCorrelation() |
The density correlation coefficient is calculated from atomic
densities of (2Fobs-Fcalc) map - "Robs" and the model
map (Fcalc) - "Rcalc" :
D_corr = <Robs><Rcalc>/sqrt(<Robs**2><Rcalc**2>)
where <Robs> is the mean of "observed" densities of all atoms
<Rcalc> is the mean of "calculated" densities of
all atoms.
|
FloatColumn |
PdbxStructLink.getPdbxDistValue() |
The linkage distance in angstroms.
|
FloatColumn |
StructConn.getPdbxDistValue() |
Distance value for this contact.
|
FloatColumn |
Reflns.getPdbxDOpt() |
The optical resolution of the data set, d(opt), is the
expected minimum distance between two resolved peaks in
an electron-density map.
|
FloatColumn |
DiffrnReflns.getPdbxDResHigh() |
The highest resolution for the interplanar spacings in the
reflection data set.
|
FloatColumn |
PhasingMAD.getPdbxDResHigh() |
_phasing_MAD.pdbx_d_res_high records the highest resolution
for MAD phasing.
|
FloatColumn |
PhasingSet.getPdbxDResHigh() |
The smallest value in angstroms for the interplanar spacings
for the reflections in this shell.
|
FloatColumn |
Reflns.getPdbxDResHighOpt() |
The highest optical resolution for this reflection data set
as determined by computational method _reflns.pdbx_d_res_opt_method.
|
FloatColumn |
DiffrnReflns.getPdbxDResLow() |
The lowest resolution for the interplanar spacings in the
reflection data set.
|
FloatColumn |
PhasingMAD.getPdbxDResLow() |
_phasing_MAD.pdbx_d_res_low records the lowest resolution
for MAD phasing.
|
FloatColumn |
PhasingSet.getPdbxDResLow() |
The highest value in angstroms for the interplanar spacings
for the reflections in this shell.
|
FloatColumn |
Reflns.getPdbxDResLowOpt() |
The lowest optical resolution for this reflection data set
as determined by computational method _reflns.pdbx_d_res_opt_method.
|
FloatColumn |
Entity.getPdbxEntitiesPerBiologicalUnit() |
Number of entity molecules in the biological assembly.
|
FloatColumn |
Refln.getPdbxFCalcPartSolvent() |
The calculated value of the structure factor in arbitrary
units reflecting only the contribution of the solvent model.
|
FloatColumn |
Refln.getPdbxFCalcWithSolvent() |
The calculated value of the structure factor in arbitrary
units including the contribution of the solvent model.
|
FloatColumn |
PhasingMADSet.getPdbxFDoublePrimeRefined() |
record the refined f_double_prime (not from experiment).
|
FloatColumn |
Refln.getPdbxFiberCoordinate() |
The coordinate position in reciprocal space along the fiber layer line
for this reflection.
|
FloatColumn |
Refln.getPdbxFiberFMeasAu() |
The measured diffraction amplitude for this fiber reflection in arbitrary units.
|
FloatColumn |
Refln.getPdbxFMinus() |
The structure factor F(-h,-k,-l) of the Friedel pair.
|
FloatColumn |
Refln.getPdbxFMinusSigma() |
The standard uncertainty (derived from measurement) of the
structure factor F(-h,-k,-l) of the Friedel pair.
|
FloatColumn |
PhasingMAD.getPdbxFom() |
_phasing_MAD.pdbx_fom records the figure of merit
for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxFom() |
record figure of merit obtained from all data for
each derivative.
|
FloatColumn |
PhasingMAD.getPdbxFomAcentric() |
_phasing_MAD.pdbx_fom_acentric records the figure of merit
using acentric data for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxFomAcentric() |
record figure of merit obtained from acentric data for
each derivative.
|
FloatColumn |
PhasingMIRDerShell.getPdbxFomAcentric() |
record figure of merit obtained from acentric data for each
derivative, but broken into resolution shells
|
FloatColumn |
PhasingMAD.getPdbxFomCentric() |
_phasing_MAD.pdbx_fom_centric records the figure of merit
using centric data for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxFomCentric() |
record figure of merit obtained from centric data for
each derivative.
|
FloatColumn |
PhasingMIRDerShell.getPdbxFomCentric() |
record figure of merit obtained from centric data for each
derivative, but broken into resolution shells
|
FloatColumn |
Struct.getPdbxFormulaWeight() |
Estimated formula mass in daltons of the
deposited structure assembly.
|
FloatColumn |
StructBiol.getPdbxFormulaWeight() |
Estimated formula mass in daltons of the
biological assembly.
|
FloatColumn |
Entity.getPdbxFormulaWeightExptl() |
Experimentally determined formula mass in daltons of the entity
|
FloatColumn |
Refln.getPdbxFPlus() |
The structure factor F(h,k,l) of the Friedel pair.
|
FloatColumn |
Refln.getPdbxFPlusSigma() |
The standard uncertainty (derived from measurement) of the
structure factor F(h,k,l) of the Friedel pair.
|
FloatColumn |
PhasingMADSet.getPdbxFPrimeRefined() |
record the refined f_prime (not from experiment).
|
FloatColumn |
DiffrnDetector.getPdbxFrequency() |
The operating frequency of the detector (Hz) used in data collection.
|
FloatColumn |
RefineLsShell.getPdbxFscFree() |
Fourier Shell Correlation (FSC) between model and
observed structure factors for reflections not included in refinement.
|
FloatColumn |
RefineLsShell.getPdbxFscWork() |
Fourier Shell Correlation (FSC) between model and
observed structure factors for reflections included in refinement.
|
FloatColumn |
Refln.getPdbxFWT() |
The weighted structure factor amplitude for the 2mFo-DFc map.
|
FloatColumn |
Refln.getPdbxHLAIso() |
The isomorphous Hendrickson-Lattman coefficient A~iso~ for this
reflection.
|
FloatColumn |
Refln.getPdbxHLBIso() |
The isomorphous Hendrickson-Lattman coefficient B~iso~ for this
reflection.
|
FloatColumn |
Refln.getPdbxHLCIso() |
The isomorphous Hendrickson-Lattman coefficient C~iso~ for this
reflection.
|
FloatColumn |
Refln.getPdbxHLDIso() |
The isomorphous Hendrickson-Lattman coefficient D~iso~ for this
reflection.
|
FloatColumn |
Refln.getPdbxIMinus() |
The intensity of the I(-h,-k,-l) partner
of the Friedel pair.
|
FloatColumn |
Refln.getPdbxIMinusSigma() |
The standard uncertainty (derived from measurement) of the
intensity I(-h,-k,-l) partner of the Friedel pair.
|
FloatColumn |
Refln.getPdbxIPlus() |
The intensity of the I(h,k,l) partner of
the Friedel pair.
|
FloatColumn |
Refln.getPdbxIPlusSigma() |
The standard uncertainty (derived from measurement) of the
intensity I(h,k,l) partner of the Friedel pair.
|
FloatColumn |
PhasingMAD.getPdbxLoc() |
_phasing_MAD.pdbx_loc records lack of closure
for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxLoc() |
record lack of closure obtained from all data for
each derivative.
|
FloatColumn |
PhasingMAD.getPdbxLocAcentric() |
_phasing_MAD.pdbx_loc_acentric records lack of closure
using acentric data for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxLocAcentric() |
record lack of closure obtained from acentric data for
each derivative.
|
FloatColumn |
PhasingMIRDerShell.getPdbxLocAcentric() |
record lack of closure obtained from acentric data for each
derivative, but broken into resolution shells
|
FloatColumn |
PhasingMIRShell.getPdbxLocAcentric() |
record lack of closure from acentric reflection for each shell.
|
FloatColumn |
PhasingMAD.getPdbxLocCentric() |
_phasing_MAD.pdbx_loc_centric records lack of closure
using centric data for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxLocCentric() |
record lack of closure obtained from centric data for
each derivative.
|
FloatColumn |
PhasingMIRDerShell.getPdbxLocCentric() |
record lack of closure obtained from centric data for each
derivative, but broken into resolution shells
|
FloatColumn |
PhasingMIRShell.getPdbxLocCentric() |
record lack of closure from centric reflection for each shell.
|
FloatColumn |
Refine.getPdbxLsSigmaF() |
Data cutoff (SIGMA(F))
|
FloatColumn |
Refine.getPdbxLsSigmaFsqd() |
Data cutoff (SIGMA(F^2))
|
FloatColumn |
Refine.getPdbxLsSigmaI() |
Data cutoff (SIGMA(I))
|
FloatColumn |
RefineAnalyze.getPdbxLuzzatiDResHighObs() |
record the high resolution for calculating Luzzati statistics.
|
FloatColumn |
ChemCompAtom.getPdbxModelCartnXIdeal() |
An alternative x component of the coordinates for this atom in this
component specified as orthogonal angstroms.
|
FloatColumn |
ChemCompAtom.getPdbxModelCartnYIdeal() |
An alternative y component of the coordinates for this atom in this
component specified as orthogonal angstroms.
|
FloatColumn |
ChemCompAtom.getPdbxModelCartnZIdeal() |
An alternative z component of the coordinates for this atom in this
component specified as orthogonal angstroms.
|
FloatColumn |
ExptlCrystal.getPdbxMosaicity() |
The of the distribution of mis-orientation angles specified in degrees
of all the unit cells in the crystal.
|
FloatColumn |
ExptlCrystal.getPdbxMosaicityEsd() |
The uncertainty in the mosaicity estimate for the crystal.
|
FloatColumn |
Reflns.getPdbxNetIOverAvSigmaI() |
The ratio of the average intensity to the average uncertainty,
<I>/<sigma(I)>.
|
FloatColumn |
Reflns.getPdbxNetIOverSigmaI() |
The mean of the ratio of the intensities to their
standard uncertainties, <I/sigma(I)>.
|
FloatColumn |
ReflnsShell.getPdbxNetIOverSigmaIAll() |
The mean of the ratio of the intensities to their
standard uncertainties of all reflections in the
resolution shell.
|
FloatColumn |
ReflnsShell.getPdbxNetIOverSigmaIObs() |
The mean of the ratio of the intensities to their
standard uncertainties of observed reflections
(see _reflns.observed_criterion) in the resolution shell.
|
FloatColumn |
DiffrnReflns.getPdbxObservedCriterion() |
The criterion used to classify a reflection as 'observed'.
|
FloatColumn |
Refine.getPdbxOverallESUB() |
Overall estimated standard uncertainties of thermal parameters
based on Maximum likelihood residual.
|
FloatColumn |
Refine.getPdbxOverallESUML() |
Overall estimated standard uncertainties of positional
parameters based on Maximum likelihood residual.
|
FloatColumn |
Refine.getPdbxOverallESUR() |
Overall estimated standard uncertainties of positional
parameters based on R value.
|
FloatColumn |
Refine.getPdbxOverallESURFree() |
Overall estimated standard uncertainties of positional parameters based on R free value.
|
FloatColumn |
Refine.getPdbxOverallPhaseError() |
The overall phase error for all reflections after refinement using
the current refinement target.
|
FloatColumn |
Refine.getPdbxOverallSURBlowDPI() |
The overall standard uncertainty (estimated standard deviation)
of the displacement parameters based on the crystallographic
R value, expressed in a formalism known as the dispersion
precision indicator (DPI).
|
FloatColumn |
Refine.getPdbxOverallSURFreeBlowDPI() |
The overall standard uncertainty (estimated standard deviation)
of the displacement parameters based on the crystallographic
R-free value, expressed in a formalism known as the dispersion
precision indicator (DPI).
|
FloatColumn |
Refine.getPdbxOverallSURFreeCruickshankDPI() |
The overall standard uncertainty (estimated standard deviation)
of the displacement parameters based on the crystallographic
R-free value, expressed in a formalism known as the dispersion
precision indicator (DPI).
|
FloatColumn |
Refine.getPdbxPdFsqrdRFactor() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit established by
_reflns.observed_criterion.
|
FloatColumn |
Refine.getPdbxPdMarquardtCorrelationCoeff() |
The correlation coefficient between the observed and
calculated structure factors for reflections included in
the refinement.
|
FloatColumn |
Refine.getPdbxPdProcLsProfRFactor() |
Rietveld/Profile fit R factors.
|
FloatColumn |
Refine.getPdbxPdProcLsProfWRFactor() |
Rietveld/Profile fit R factors.
|
FloatColumn |
DiffrnReflns.getPdbxPercentPossibleObs() |
The percentage of geometrically possible reflections represented
by reflections that satisfy the resolution limits established
by _diffrn_reflns.d_resolution_high and _diffrn_reflns.d_resolution_low and
the observation limit established by _diffrn_reflns.observed_criterion.
|
FloatColumn |
Refln.getPdbxPhaseCalcPartSolvent() |
The calculated structure-factor phase in degrees reflecting
only the contribution of the solvent model.
|
FloatColumn |
Refln.getPdbxPhaseCalcWithSolvent() |
The calculated structure-factor phase in degrees including
the contribution of the solvent model.
|
FloatColumn |
Refln.getPdbxPhaseCycle() |
The phasing cycle.
|
FloatColumn |
RefineLsShell.getPdbxPhaseError() |
The average phase error for all reflections in the resolution shell.
|
FloatColumn |
Refln.getPdbxPHWT() |
The weighted phase for the 2mFo-DFc map.
|
FloatColumn |
PhasingMAD.getPdbxPower() |
_phasing_MAD.pdbx_power records phasing power
for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxPower() |
record phasing power for each derivative.
|
FloatColumn |
PhasingMAD.getPdbxPowerAcentric() |
_phasing_MAD.pdbx_power_acentric records phasing power
using acentric data for MAD phasing.
|
FloatColumn |
PhasingMIRDerShell.getPdbxPowerAcentric() |
record phasing power obtained from acentric data for each
derivative, but broken into resolution shells
|
FloatColumn |
PhasingMIRShell.getPdbxPowerAcentric() |
record phasing power from acentric reflection for each shell.
|
FloatColumn |
PhasingMAD.getPdbxPowerCentric() |
_phasing_MAD.pdbx_power_centric records phasing power
using centric data for MAD phasing.
|
FloatColumn |
PhasingMIRDerShell.getPdbxPowerCentric() |
record phasing power obtained from centric data for each
derivative, but broken into resolution shells
|
FloatColumn |
PhasingMIRShell.getPdbxPowerCentric() |
record phasing power from centric reflection for each shell.
|
FloatColumn |
Refine.getPdbxRComplete() |
The crystallographic reliability index Rcomplete for
reflections that satisfy the resolution limits
established by _refine.ls_d_res_high and
_refine.ls_d_res_low and the observation limit
established by _reflns.observed_criterion
Ref: Luebben, J., Gruene, T., (2015).
|
FloatColumn |
RefineLsShell.getPdbxRComplete() |
The crystallographic reliability index Rcomplete for
reflections that satisfy the resolution limits
established by _refine_ls_shell.d_res_high and
_refine_ls_shell.d_res_low and the observation limit
established by _reflns.observed_criterion
Ref: Luebben, J., Gruene, T., (2015).
|
FloatColumn |
PhasingMAD.getPdbxRCullis() |
_phasing_MAD.pdbx_R_cullis records R_cullis
for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxRCullis() |
record R_cullis for each derivative.
|
FloatColumn |
PhasingMAD.getPdbxRCullisAcentric() |
_phasing_MAD.pdbx_R_cullis_acentric records R_cullis
using acentric data for MAD phasing.
|
FloatColumn |
PhasingMIRDerShell.getPdbxRCullisAcentric() |
record R Cullis obtained from acentric data for each
derivative, but broken into resolution shells
|
FloatColumn |
PhasingMIRShell.getPdbxRCullisAcentric() |
record R_Cullis from from acentric reflection for each shell.
|
FloatColumn |
PhasingMAD.getPdbxRCullisCentric() |
_phasing_MAD.pdbx_R_cullis_centric records R_cullis
using centric data for MAD phasing.
|
FloatColumn |
PhasingMIRDerShell.getPdbxRCullisCentric() |
record R Cullis obtained from centric data for each
derivative, but broken into resolution shells
|
FloatColumn |
PhasingMIRShell.getPdbxRCullisCentric() |
record R_Cullis from from centric reflection for each shell.
|
FloatColumn |
Refine.getPdbxRealSpaceR() |
Real space R factor of electron density for all atoms.
|
FloatColumn |
DiffrnReflns.getPdbxRedundancy() |
The overall redundancy for the data set.
|
FloatColumn |
Reflns.getPdbxRedundancy() |
Overall redundancy for this data set (%).
|
FloatColumn |
ReflnsShell.getPdbxRedundancy() |
Redundancy for the current shell.
|
FloatColumn |
Reflns.getPdbxRedundancyReflnsObs() |
The redundancy in set of observed reflections.
|
FloatColumn |
ReflnsShell.getPdbxRedundancyReflnsObs() |
For this shell, the redundancy in the observed reflections.
|
FloatColumn |
StructNcsDomLim.getPdbxRefineCode() |
record the refinement code number (from CCP4.)
|
FloatColumn |
PhasingMIRDerShell.getPdbxReflnsCentric() |
record number of centric reflections used for phasing for each
derivative, but broken into resolution shells
|
FloatColumn |
Reflns.getPdbxResNetIOverAvSigmaI2() |
Resolution (angstrom) for reflections with <I>/<sigma(I)> = 2.
|
FloatColumn |
Reflns.getPdbxResNetIOverSigmaI2() |
Resolution (angstroms) for reflections with <I/sigma(I)> = 2.
|
FloatColumn |
PhasingMAD.getPdbxRKraut() |
_phasing_MAD.pdbx_R_kraut records R_kraut
for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxRKraut() |
record R_kraut obtained from all data data for each derivative.
|
FloatColumn |
PhasingMAD.getPdbxRKrautAcentric() |
_phasing_MAD.pdbx_R_kraut_acentric records R_kraut
using acentric data for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxRKrautAcentric() |
record R_kraut obtained from acentric data for each derivative.
|
FloatColumn |
PhasingMIRDerShell.getPdbxRKrautAcentric() |
record R Kraut obtained from acentric data for each
derivative, but broken into resolution shells
|
FloatColumn |
PhasingMIRShell.getPdbxRKrautAcentric() |
record R_kraut from from acentric reflection for each shell.
|
FloatColumn |
PhasingMAD.getPdbxRKrautCentric() |
_phasing_MAD.pdbx_R_kraut_centric records R_kraut
using centric data for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPdbxRKrautCentric() |
record R_kraut obtained from centric data for each derivative.
|
FloatColumn |
PhasingMIRDerShell.getPdbxRKrautCentric() |
record R Kraut obtained from centric data for each
derivative, but broken into resolution shells
|
FloatColumn |
PhasingMIRShell.getPdbxRKrautCentric() |
record R_Kraut from from centric reflection for each shell.
|
FloatColumn |
Reflns.getPdbxRmergeIAll() |
The R value for merging all intensities in this data set.
|
FloatColumn |
ReflnsShell.getPdbxRmergeIAllAnomalous() |
This item is the same as _reflns_shell.pdbx_Rmerge_I_all, but
applies to observed Friedel pairs only.
|
FloatColumn |
Reflns.getPdbxRmergeIAnomalous() |
This item is the same as _reflns.pdbx_Rmerge_I, but applies only
to observed Friedel pairs.
|
FloatColumn |
DiffrnReflns.getPdbxRmergeIObs() |
The R factor for merging the reflections that satisfy the
resolution limits established by _diffrn_reflns.d_resolution_high
and _diffrn_reflns.d_resolution_low and the observation limit
established by _diffrn_reflns.observed_criterion.
|
FloatColumn |
Reflns.getPdbxRmergeIObs() |
The R value for merging intensities satisfying the observed
criteria in this data set.
|
FloatColumn |
RefineLsRestrNcs.getPdbxRms() |
Records the standard deviation in the restraint between NCS related domains.
|
FloatColumn |
Reflns.getPdbxRpimIAll() |
The precision-indicating merging R factor value Rpim,
for merging all intensities in this data set.
|
FloatColumn |
ReflnsShell.getPdbxRpimIAll() |
The precision-indicating merging R factor value Rpim,
for merging all intensities in a given shell.
|
FloatColumn |
Reflns.getPdbxRpimIAllAnomalous() |
This item is the same as _reflns.pdbx_Rpim_I_all, but applies only
to observed Friedel pairs.
|
FloatColumn |
ReflnsShell.getPdbxRpimIAllAnomalous() |
This item serves the same purpose as
_reflns_shell.pdbx_Rpim_I_all, but applies to observed Friedel pairs
only.
|
FloatColumn |
Reflns.getPdbxRrimIAll() |
The redundancy-independent merging R factor value Rrim,
also denoted Rmeas, for merging all intensities in this
data set.
|
FloatColumn |
ReflnsShell.getPdbxRrimIAll() |
The redundancy-independent merging R factor value Rrim,
also denoted Rmeas, for merging all intensities in a
given shell.
|
FloatColumn |
Reflns.getPdbxRrimIAllAnomalous() |
This item is the same as _reflns.pdbx_Rrim_I_all,
but applies to the observed Friedel pairs only.
|
FloatColumn |
ReflnsShell.getPdbxRrimIAllAnomalous() |
This item is the duplicate of _reflns_shell.pdbx_Rrim_I_all, but
is limited to observed Friedel pairs.
|
FloatColumn |
Reflns.getPdbxRSplit() |
R split measures the agreement between the sets of intensities created by merging
odd- and even-numbered images from the overall data.
|
FloatColumn |
ReflnsShell.getPdbxRSplit() |
R split measures the agreement between the sets of intensities created by merging
odd- and even-numbered images from the data within the resolution shell.
|
FloatColumn |
DiffrnReflns.getPdbxRsymValue() |
The R factor for averaging the symmetry related reflections to a
unique data set.
|
FloatColumn |
Reflns.getPdbxRsymValue() |
The R sym value as a decimal number.
|
FloatColumn |
ReflnsShell.getPdbxRsymValue() |
R sym value in percent.
|
FloatColumn |
AtomType.getPdbxScatCromerMannA5() |
Scattering-factor coefficient a5, used to calculate electron
elastic atomic scattering factors for the defined atom type.
|
FloatColumn |
AtomType.getPdbxScatCromerMannA6() |
Scattering-factor coefficient a6, used to calculate electron
elastic atomic scattering factors for the defined atom type.
|
FloatColumn |
AtomType.getPdbxScatCromerMannB5() |
Scattering-factor coefficient b5, used to calculate electron
elastic atomic scattering factors for the defined atom type.
|
FloatColumn |
AtomType.getPdbxScatCromerMannB6() |
Scattering-factor coefficient b6, used to calculate electron
elastic atomic scattering factors for the defined atom type.
|
FloatColumn |
Refln.getPdbxSinPhaseCalc() |
The sine of the calculated phase.
|
FloatColumn |
Refine.getPdbxSolventIonProbeRadii() |
For bulk solvent mask calculation, the amount that the ionic radii of atoms, which can be ions, are increased used.
|
FloatColumn |
Refine.getPdbxSolventShrinkageRadii() |
For bulk solvent mask calculation, amount mask is shrunk after taking away atoms with new radii and a constant value assigned to this new region.
|
FloatColumn |
Refine.getPdbxSolventVdwProbeRadii() |
For bulk solvent mask calculation, the value by which the vdw radii of non-ion atoms (like carbon) are increased and used.
|
FloatColumn |
StructBiolView.getPdbxVector1() |
translation vector
|
FloatColumn |
StructBiolView.getPdbxVector2() |
translation vector
|
FloatColumn |
StructBiolView.getPdbxVector3() |
translation vector
|
FloatColumn |
RefineLsRestrNcs.getPdbxWeight() |
Records the weight used for NCS restraint.
|
FloatColumn |
PdbxNmrEnsembleRms.getPeptidePlanarityRmsDev() |
The peptide planarity rmsd.
|
FloatColumn |
PdbxNmrEnsembleRms.getPeptidePlanarityRmsDevError() |
The error in the peptide planarity rmsd.
|
FloatColumn |
PdbxDataProcessingReflns.getPercentMarkedReject() |
Percent of reflections marked for rejection in data processing.
|
FloatColumn |
ReflnsShell.getPercentPossibleAll() |
The percentage of geometrically possible reflections represented
by all reflections measured for this shell.
|
FloatColumn |
ReflnsShell.getPercentPossibleGt() |
The percentage of geometrically possible reflections
represented by significantly intense reflections
(see _reflns.threshold_expression) measured for this
shell.
|
FloatColumn |
PdbxDiffrnReflnsShell.getPercentPossibleObs() |
The percentage of geometrically possible reflections represented
by reflections that satisfy the resolution limits established
by _diffrn_reflns_shell.d_resolution_high and
_diffrn_reflns_shell.d_resolution_low and the observation limit
established by _diffrn_reflns.observed_criterion.
|
FloatColumn |
Reflns.getPercentPossibleObs() |
The percentage of geometrically possible reflections represented
by reflections that satisfy the resolution limits established
by _reflns.d_resolution_high and _reflns.d_resolution_low and
the observation limit established by
_reflns.observed_criterion.
|
FloatColumn |
ReflnsShell.getPercentPossibleObs() |
The percentage of geometrically possible reflections represented
by reflections classified as 'observed' (see
_reflns.observed_criterion) for this shell.
|
FloatColumn |
RefineLsShell.getPercentReflnsObs() |
The number of reflections that satisfy the resolution limits
established by _refine_ls_shell.d_res_high and
_refine_ls_shell.d_res_low and the observation criterion
established by _reflns.observed_criterion, expressed as a
percentage of the number of geometrically observable
reflections that satisfy the resolution limits.
|
FloatColumn |
RefineLsShell.getPercentReflnsRFree() |
The number of reflections that satisfy the resolution limits
established by _refine_ls_shell.d_res_high and
_refine_ls_shell.d_res_low and the observation limit
established by _reflns.observed_criterion, and that were used
as the test reflections (i.e.
|
FloatColumn |
PdbxDataProcessingReflns.getPercentRejected() |
Percent of reflections rejected in data processing.
|
FloatColumn |
ExptlCrystalFace.getPerpDist() |
The perpendicular distance in millimetres from the face to the
centre of rotation of the crystal.
|
FloatColumn |
EmSamplePreparation.getPh() |
The pH value of the observed sample buffer.
|
FloatColumn |
EmBuffer.getPH() |
The pH of the sample buffer.
|
FloatColumn |
ExptlCrystalGrow.getPH() |
The pH at which the crystal was grown.
|
FloatColumn |
PdbxExptlCrystalGrowSol.getPH() |
The pH of the solution.
|
FloatColumn |
PhasingMIRDerShell.getPhase() |
The mean of the phase values for reflections for this
derivative in this shell.
|
FloatColumn |
PhasingMIRDerRefln.getPhaseCalc() |
The calculated value of the structure-factor phase based on the
heavy-atom model for this derivative in degrees.
|
FloatColumn |
Refln.getPhaseCalc() |
The calculated structure-factor phase in degrees.
|
FloatColumn |
Refln.getPhaseMeas() |
The measured structure-factor phase in degrees.
|
FloatColumn |
EmDiffractionShell.getPhaseResidual() |
Phase residual for this resolution shell, in degrees
|
FloatColumn |
PdbxNmrExptlSampleConditions.getPHErr() |
Estimate of the standard error for the value for the sample pH.
|
FloatColumn |
PdbxRmchOutlier.getPhi() |
The phi value that for the residue that lies outside
normal regions of the Rammachandran plot
|
FloatColumn |
PdbxValidateTorsion.getPhi() |
The Phi value that for the residue that lies outside normal limits
(in combination with the Psi value) with regards to the rammachandran plot
|
FloatColumn |
StructMonProt.getPhi() |
The value in degrees of the main-chain torsion angle phi.
|
FloatColumn |
PdbxSerialCrystallographyMeasurement.getPhotonsPerPulse() |
The photons per pulse measured in (tera photons (10^(12)^)/pulse units).
|
FloatColumn |
Ihm2demClassAverageRestraint.getPixelSizeHeight() |
Pixel size height of the 2dem class average image.
|
FloatColumn |
Ihm2demClassAverageRestraint.getPixelSizeWidth() |
Pixel size width of the 2dem class average image.
|
FloatColumn |
EmMap.getPixelSpacingX() |
The length in Angstroms of one voxel along the X axis.
|
FloatColumn |
EmMapDepositorInfo.getPixelSpacingX() |
The length in Angstroms of one voxel along the X axis.
|
FloatColumn |
EmMaskDepositorInfo.getPixelSpacingX() |
The length in Angstroms of one voxel along the X axis.
|
FloatColumn |
EmMap.getPixelSpacingY() |
The length in Angstroms of one voxel along the Y axis.
|
FloatColumn |
EmMapDepositorInfo.getPixelSpacingY() |
The length in Angstroms of one voxel along the Y axis.
|
FloatColumn |
EmMaskDepositorInfo.getPixelSpacingY() |
The length in Angstroms of one voxel along the Y axis.
|
FloatColumn |
EmMap.getPixelSpacingZ() |
The length in Angstroms of one voxel along the Z axis.
|
FloatColumn |
EmMapDepositorInfo.getPixelSpacingZ() |
The length in Angstroms of one voxel along the Z axis.
|
FloatColumn |
EmMaskDepositorInfo.getPixelSpacingZ() |
The length in Angstroms of one voxel along the Z axis.
|
FloatColumn |
PdbxDccGeometry.getPlanarityOverallMax() |
The maximum root mean square deviation for planarity (all atoms).
|
FloatColumn |
PdbxDccGeometry.getPlanarityOverallRms() |
The overall root mean square deviation for planarity (all atoms).
|
FloatColumn |
PdbxSugarPhosphateGeometry.getPO1p() |
The p_o1p covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getPO2p() |
The p_o2p covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getPO5() |
The p_o5 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getPO5C5() |
The p_o5_c5 covalent element of this monomer.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getPO5C5C4() |
The p_o5_c5_c4 covalent element of this monomer.
|
FloatColumn |
DiffrnRadiation.getPolarisnNorm() |
The angle in degrees, as viewed from the specimen, between the
perpendicular component of the polarization and the diffraction
plane.
|
FloatColumn |
DiffrnRadiation.getPolarisnRatio() |
Polarization ratio of the diffraction beam incident on the
crystal.
|
FloatColumn |
PdbxDataProcessingDetector.getPolarization() |
The polarization measured in data collection.
|
FloatColumn |
IhmMultiStateModeling.getPopulationFraction() |
A fraction representing the population of the particular state.
|
FloatColumn |
IhmMultiStateModeling.getPopulationFractionSd() |
The standard deviation of the population fraction.
|
FloatColumn |
DiffrnSource.getPower() |
The power in kilowatts at which the radiation source
was operated.
|
FloatColumn |
PdbxPhasingMADSet.getPower() |
_pdbx_phasing_MAD_set.power records phasing power
for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getPower() |
_pdbx_phasing_MAD_set_shell.power records phasing power
for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getPower() |
_pdbx_phasing_MAD_shell.loc records phasing power
for MAD phasing.
|
FloatColumn |
PhasingMIRDerShell.getPower() |
The mean phasing power P for reflections for this derivative
in this shell.
|
FloatColumn |
PhasingMIRShell.getPower() |
The mean phasing power P for reflections in this shell.
|
FloatColumn |
PdbxPhasingMADSet.getPowerAcentric() |
_pdbx_phasing_MAD_set.power_acentric records phasing powe
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getPowerAcentric() |
_pdbx_phasing_MAD_set_shell.power_acentric records phasing power
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getPowerAcentric() |
_pdbx_phasing_MAD_shell.power_acentric records phasing powe
using acentric data for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPowerAcentric() |
The mean phasing power P for acentric reflections for this
derivative.
|
FloatColumn |
PdbxPhasingMADSet.getPowerCentric() |
_pdbx_phasing_MAD_set.power_centric records phasing powe
using centric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getPowerCentric() |
_pdbx_phasing_MAD_set_shell.power_centric records phasing power
using centric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getPowerCentric() |
_pdbx_phasing_MAD_shell.power_centric records phasing powe
using centric data for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getPowerCentric() |
The mean phasing power P for centric reflections for this
derivative.
|
FloatColumn |
PdbxSolventAtomSiteMapping.getPreCartnX() |
The prior x atom-site coordinate of the solvent position in angstroms.
|
FloatColumn |
PdbxSolventAtomSiteMapping.getPreCartnY() |
The prior y atom-site coordinate of the solvent position in angstroms.
|
FloatColumn |
PdbxSolventAtomSiteMapping.getPreCartnZ() |
The prior z atom-site coordinate of the solvent position in angstroms.
|
FloatColumn |
IhmHydroxylRadicalFpRestraint.getPredictedSasa() |
The predicted solvent accessible surface area.
|
FloatColumn |
PdbxRemediationAtomSiteMapping.getPreOccupancy() |
The fraction of the atom type present for the prior atom site.
|
FloatColumn |
CellMeasurement.getPressure() |
The pressure in kilopascals at which the unit-cell parameters
were measured (not the pressure at which the sample was
synthesized).
|
FloatColumn |
EmGridPretreatment.getPressure() |
Pressure of the glow discharge chamber, in pascals
|
FloatColumn |
ExptlCrystalGrow.getPressure() |
The ambient pressure in kilopascals at which the crystal was
grown.
|
FloatColumn |
PdbxNmrExptlSampleConditions.getPressureErr() |
Estimate of the standard error for the value for the sample pressure.
|
FloatColumn |
CellMeasurement.getPressureEsd() |
The standard uncertainty (estimated standard deviation)
of _cell_measurement.pressure.
|
FloatColumn |
ExptlCrystalGrow.getPressureEsd() |
The standard uncertainty (estimated standard deviation)
of _exptl_crystal_grow.pressure.
|
FloatColumn |
IhmDerivedAngleRestraint.getProbability() |
The real number that indicates the probability that the angle restraint
is correct.
|
FloatColumn |
IhmDerivedDihedralRestraint.getProbability() |
The real number that indicates the probability that the dihedral restraint
is correct.
|
FloatColumn |
IhmDerivedDistanceRestraint.getProbability() |
The real number that indicates the probability that the distance restraint
is correct.
|
FloatColumn |
IhmPredictedContactRestraint.getProbability() |
The real number that indicates the probability that the predicted distance restraint
is correct.
|
FloatColumn |
IhmPolyProbeConjugate.getProbeStoichiometry() |
The stoichiometry of the probe labeling site, if known.
|
FloatColumn |
PdbxDccDensity.getProbPeakValue() |
The probability to tell the existence of translational pseudo
symmetry.
|
FloatColumn |
EmEulerAngleAssignment.getProjMatchingAngularSampling() |
Angular sampling of projection matching
|
FloatColumn |
NdbStructNaBasePair.getPropeller() |
The value of the base pair propeller parameter.
|
FloatColumn |
StructMonDetails.getProtCis() |
An ideal cis peptide bond would have an omega torsion angle of
zero.
|
FloatColumn |
IhmHdxRestraint.getProtectionFactor() |
The value of the protection factor determined from HDX experiments.
|
FloatColumn |
PdbxEntitySrcGenPure.getProteinConcentration() |
The final concentration of the protein.
|
FloatColumn |
PdbxEntitySrcGenProteolysis.getProteinProteaseRatio() |
The ratio of protein to protease used for the cleavage.
|
FloatColumn |
PdbxEntitySrcGenPure.getProteinPurity() |
The purity of the protein (percent).
|
FloatColumn |
PdbxEntitySrcGenFract.getProteinVolume() |
The volume of the fraction containing the protein.
|
FloatColumn |
PdbxEntitySrcGenFract.getProteinYield() |
The yield in milligrams of protein from the fractionation.
|
FloatColumn |
PdbxEntitySrcGenPure.getProteinYield() |
The yield of protein in milligrams.
|
FloatColumn |
PdbxSugarPhosphateGeometry.getPseudorot() |
The pseudo rotation angle of this monomer.
|
FloatColumn |
IhmCrossLinkRestraint.getPsi() |
The uncertainty in the crosslinking experimental data;
may be approximated to the false positive rate.
|
FloatColumn |
IhmCrossLinkResultParameters.getPsi() |
The uncertainty in the crosslinking experimental data;
May be approximated to the false positive rate.
|
FloatColumn |
PdbxRmchOutlier.getPsi() |
The Psi value that for the residue that lies outside
of the normal region of the rammachandran plot
|
FloatColumn |
PdbxValidateTorsion.getPsi() |
The Psi value that for the residue that lies outside normal limits
(in combination with the Phi value) with regards to the rammachandran plot
|
FloatColumn |
StructMonProt.getPsi() |
The value in degrees of the main-chain torsion angle psi.
|
FloatColumn |
PdbxSerialCrystallographyMeasurement.getPulseDuration() |
The average duration (femtoseconds)
of the pulse energy measured at the sample.
|
FloatColumn |
PdbxSerialCrystallographyMeasurement.getPulseEnergy() |
The energy/pulse of the X-ray pulse impacting the sample measured in microjoules.
|
FloatColumn |
PdbxSerialCrystallographyMeasurement.getPulsePhotonEnergy() |
The photon energy of the X-ray pulse measured in KeV.
|
FloatColumn |
PhasingSet.getRadiationWavelength() |
The mean wavelength of the radiation used to measure this
data set.
|
FloatColumn |
IhmPseudoSite.getRadius() |
The radius associated with the pseudo site, if applicable.
|
FloatColumn |
AtomType.getRadiusBond() |
The effective intramolecular bonding radius in angstroms
of this atom type.
|
FloatColumn |
AtomType.getRadiusContact() |
The effective intermolecular bonding radius in angstroms
of this atom type.
|
FloatColumn |
IhmSasRestraint.getRadiusOfGyration() |
Radius of gyration obtained from the SAS profile, if used as input restraint.
|
FloatColumn |
IhmGeometricObjectSphere.getRadiusR() |
Radius "r" of the sphere.
|
FloatColumn |
PdbxDccGeometry.getRamachandranAllowedPercent() |
Percentage of allowed residues in Ramachandran plot.
|
FloatColumn |
PdbxDccGeometry.getRamachandranFavoredPercent() |
Percentage of favored residues in Ramachandran plot.
|
FloatColumn |
PdbxDccGeometry.getRamachandranOutlierPercent() |
Percentage of outliers in Ramachandran plot.
|
FloatColumn |
EmStartModel.getRandomConicalTiltAngle() |
Angular difference between the conical tilt images used to generate the startup model
|
FloatColumn |
IhmDerivedDistanceRestraint.getRandomExclusionFraction() |
The fraction of randomly excluded distance restraints during modeling.
|
FloatColumn |
AtomSiteAnisotrop.getRatio() |
Ratio of the maximum to minimum principal axes of
displacement (thermal) ellipsoids.
|
FloatColumn |
PhasingMADRatio.getRatioOneWl() |
The root-mean-square Bijvoet difference at one wavelength for
all reflections.
|
FloatColumn |
PhasingMADRatio.getRatioOneWlCentric() |
The root-mean-square Bijvoet difference at one wavelength for
centric reflections.
|
FloatColumn |
PhasingMADRatio.getRatioTwoWl() |
The root-mean-square dispersive Bijvoet difference between
two wavelengths for all reflections.
|
FloatColumn |
PdbxPhasingMADSet.getRCullis() |
_pdbx_phasing_MAD_set.R_cullis records R_cullis
for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getRCullis() |
_pdbx_phasing_MAD_set_shell.R_cullis records R_cullis
for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getRCullis() |
_pdbx_phasing_MAD_shell.R_cullis records R_cullis
for MAD phasing.
|
FloatColumn |
PhasingMIRDerShell.getRCullis() |
Residual factor R~cullis~ for centric reflections for this
derivative in this shell.
|
FloatColumn |
PhasingMIRShell.getRCullis() |
Residual factor R~cullis~ for centric reflections in this shell.
|
FloatColumn |
PdbxPhasingMADSet.getRCullisAcentric() |
_pdbx_phasing_MAD_set.R_cullis_acentric records R_cullis
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getRCullisAcentric() |
_pdbx_phasing_MAD_set_shell.R_cullis_acentric records R_cullis
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getRCullisAcentric() |
_pdbx_phasing_MAD_shell.R_cullis_acentric records R_cullis
using acentric data for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getRCullisAcentric() |
Residual factor R~cullis,acen~ for acentric reflections for this
derivative.
|
FloatColumn |
PhasingMIRDer.getRCullisAnomalous() |
Residual factor R~cullis,ano~ for anomalous reflections for this
derivative.
|
FloatColumn |
PdbxPhasingMADSet.getRCullisCentric() |
_pdbx_phasing_MAD_set.R_cullis_centric records R_cullis
using centric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getRCullisCentric() |
_pdbx_phasing_MAD_set_shell.R_cullis_centric records R_cullis
using centric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getRCullisCentric() |
_pdbx_phasing_MAD_shell.R_cullis_centric records R_cullis
using centric data for MAD phasing.
|
FloatColumn |
PhasingMIRDer.getRCullisCentric() |
Residual factor R~cullis~ for centric reflections for this
derivative.
|
FloatColumn |
PdbxDccDensityCorr.getRealSpaceR() |
The overall real space R factor.
|
FloatColumn |
PdbxDccRsccMapman.getRealSpaceR() |
The Real Space Rfactor (RSR) for the residue.
|
FloatColumn |
PdbxDccRsccMapmanOverall.getRealSpaceR() |
The overall Real Space Rfactor (RSR) for the structure.
|
FloatColumn |
PdbxRefineComponent.getRealSpaceR() |
Real space R factor of electron density for each component,
residue side chain, or main chain.
|
FloatColumn |
PdbxRefineComponent.getRealSpaceRMainChain() |
Real space R factor of electron density for each component,
residue side chain, or main chain.
|
FloatColumn |
PdbxDccDensity.getRealSpaceROverall() |
The overall real space R factor.
|
FloatColumn |
PdbxRefineComponent.getRealSpaceRSideChain() |
Real space R factor of electron density for each component,
residue side chain, or main chain.
|
FloatColumn |
PdbxDccRsccMapmanOverall.getRealSpaceRSigma() |
The overall standard deviation of the Real Space Rfactor (RSR)
for the structure.
|
FloatColumn |
PdbxDccRsccMapman.getRealSpaceZscore() |
The Zscore of the Real Space Rfactor (RSRZ) for the residue.
|
FloatColumn |
Cell.getReciprocalAngleAlpha() |
The angle (recip-alpha) defining the reciprocal cell in degrees.
|
FloatColumn |
Cell.getReciprocalAngleAlphaEsd() |
The estimated standard deviation of _cell.reciprocal_angle_alpha.
|
FloatColumn |
Cell.getReciprocalAngleBeta() |
The angle (recip-beta) defining the reciprocal cell in degrees.
|
FloatColumn |
Cell.getReciprocalAngleBetaEsd() |
The estimated standard deviation of _cell.reciprocal_angle_beta.
|
FloatColumn |
Cell.getReciprocalAngleGamma() |
The angle (recip-gamma) defining the reciprocal cell in degrees.
|
FloatColumn |
Cell.getReciprocalAngleGammaEsd() |
The estimated standard deviation of _cell.reciprocal_angle_gamma.
|
FloatColumn |
Cell.getReciprocalLengthA() |
The reciprocal cell length (recip-a) in inverse Angstroms.
|
FloatColumn |
Cell.getReciprocalLengthAEsd() |
The estimated standard deviation of _cell.reciprocal_length_a.
|
FloatColumn |
Cell.getReciprocalLengthB() |
The reciprocal cell length (recip-b) in inverse Angstroms.
|
FloatColumn |
Cell.getReciprocalLengthBEsd() |
The estimated standard deviation of _cell.reciprocal_length_b.
|
FloatColumn |
Cell.getReciprocalLengthC() |
The reciprocal cell length (recip-c) in inverse Angstroms.
|
FloatColumn |
Cell.getReciprocalLengthCEsd() |
The estimated standard deviation of _cell.reciprocal_length_c.
|
FloatColumn |
EmImaging.getRecordingTemperatureMaximum() |
The specimen temperature maximum (degrees Kelvin) for the duration
of imaging.
|
FloatColumn |
EmImaging.getRecordingTemperatureMinimum() |
The specimen temperature minimum (degrees Kelvin) for the duration
of imaging.
|
FloatColumn |
PdbxDiffrnReflnsShell.getRedundancy() |
The overall redundancy for the resolution shell.
|
FloatColumn |
RefineLsShell.getRedundancyReflnsAll() |
The ratio of the total number of observations of the reflections
that satisfy the resolution limits established by
_refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low
to the number of crystallographically unique reflections that
satisfy the same limits.
|
FloatColumn |
RefineLsShell.getRedundancyReflnsObs() |
The ratio of the total number of observations of the
reflections that satisfy the resolution limits established by
_refine_ls_shell.d_res_high and _refine_ls_shell.d_res_low and
the observation criterion established by
_reflns.observed_criterion to the number of crystallographically
unique reflections that satisfy the same limits.
|
FloatColumn |
PdbxPhasingMADShell.getReflnsAcentric() |
_pdbx_phasing_MAD_shell.reflns_acentric records the number of
acentric reflections for MAD phasing.
|
FloatColumn |
PdbxPhasingMR.getReflnsPercentRotation() |
The value of _pdbx_phasing_MR.reflns_percent_rotation identifies the
completness of data used for rotation search.
|
FloatColumn |
PdbxPhasingMR.getReflnsPercentTranslation() |
The value of _pdbx_phasing_MR.reflns_percent_translation identifies the
completness of data used for translation search.
|
FloatColumn |
RefineFunctMinimized.getResidual() |
The residual for this term of the function that was minimized
during the refinement.
|
FloatColumn |
EmImaging.getResidualTilt() |
residual tilt of the electron beam
|
FloatColumn |
Em3dReconstruction.getResolution() |
The final resolution (in Angstroms)of the 3D reconstruction.
|
FloatColumn |
PdbxPhasingMR.getRFactor() |
The value of _pdbx_phasing_MR.R_factor identifies the R factor
(defined as uasual) after rotation and translation.
|
FloatColumn |
RefineHist.getRFactorAll() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine_hist.d_res_high and
_refine_hist.d_res_low.
|
FloatColumn |
RefineLsClass.getRFactorAll() |
For each reflection class, the residual factor for all
reflections satisfying the resolution limits established by
_refine_ls_class.d_res_high and _refine_ls_class.d_res_low.
|
FloatColumn |
RefineLsShell.getRFactorAll() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine_ls_shell.d_res_high and
_refine_ls_shell.d_res_low.
|
FloatColumn |
ReflnsClass.getRFactorAll() |
For each reflection class, the residual factor for all
reflections included in the refinement.
|
FloatColumn |
PdbxRefine.getRFactorAll4sigCutoff() |
R-value (all reflections, 4 sigma cutoff)
Placeholder for PDB mapping of SHELXL refinement data.
|
FloatColumn |
PdbxDataProcessingReflns.getRFactorAllLinear() |
Total linear R factor in data processing.
|
FloatColumn |
PdbxRefine.getRFactorAllNoCutoff() |
R-value (all reflections, no cutoff)
Placeholder for PDB mapping of SHELXL refinement data.
|
FloatColumn |
RefineLsClass.getRFactorGt() |
For each reflection class, the residual factor for significantly
intense reflections (see _reflns.threshold_expression) included
in the refinement.
|
FloatColumn |
ReflnsClass.getRFactorGt() |
For each reflection class, the residual factor for significantly
intense reflections (see _reflns.threshold_expression) included
in the refinement.
|
FloatColumn |
RefineHist.getRFactorObs() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine_hist.d_res_high and
_refine_hist.d_res_low and the observation criterion
established by _reflns.observed_criterion.
|
FloatColumn |
RefineLsShell.getRFactorObs() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine_ls_shell.d_res_high and
_refine_ls_shell.d_res_low and the observation criterion
established by _reflns.observed_criterion.
|
FloatColumn |
PdbxRefine.getRFactorObs4sigCutoff() |
R-value (working set, 4 sigma cutoff)
Placeholder for PDB mapping of SHELXL refinement data.
|
FloatColumn |
PdbxRefine.getRFactorObsNoCutoff() |
R-value (working set reflections, no cutoff)
Placeholder for PDB mapping of SHELXL refinement data.
|
FloatColumn |
RefineHist.getRFactorRFree() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine_hist.d_res_high and
_refine_hist.d_res_low and the observation limit
established by _reflns.observed_criterion, and that were used
as the test reflections (i.e.
|
FloatColumn |
RefineLsShell.getRFactorRFree() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine_ls_shell.d_res_high and
_refine_ls_shell.d_res_low and the observation limit
established by _reflns.observed_criterion, and that were
used as the test reflections (i.e.
|
FloatColumn |
RefineLsShell.getRFactorRFreeError() |
The estimated error in _refine_ls_shell.R_factor_R_free.
|
FloatColumn |
RefineHist.getRFactorRWork() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine_hist.d_res_high and
_refine_hist.d_res_low and the observation limit
established by _reflns.observed_criterion, and that were used
as the working reflections (i.e.
|
FloatColumn |
RefineLsShell.getRFactorRWork() |
Residual factor R for reflections that satisfy the resolution
limits established by _refine_ls_shell.d_res_high and
_refine_ls_shell.d_res_low and the observation limit
established by _reflns.observed_criterion, and that were used
as the working reflections (i.e.
|
FloatColumn |
PdbxDccDensity.getRfree_Rwork() |
The difference between reported Rfree and reported Rwork.
|
FloatColumn |
RefineLsClass.getRFsqdFactor() |
For each reflection class, the residual factor R(F^2^) calculated
on the squared amplitudes of the observed and calculated
structure factors, for the reflections judged significantly
intense (i.e.
|
FloatColumn |
ReflnsClass.getRFsqdFactor() |
For each reflection class, the residual factor R(F^2^) calculated
on the squared amplitudes of the observed and calculated
structure factors for the reflections judged significantly
intense (i.e.
|
FloatColumn |
RefineAnalyze.getRGDResHigh() |
The value of the high-resolution cutoff in angstroms
used in the calculation of the Hamilton generalized
R factor (RG) stored in _refine_analyze.RG_work and
_refine_analyze.RG_free.
|
FloatColumn |
RefineAnalyze.getRGDResLow() |
The value of the low-resolution cutoff in angstroms
used in the calculation of the Hamilton generalized
R factor (RG) stored in _refine_analyze.RG_work and
_refine_analyze.RG_free.
|
FloatColumn |
RefineAnalyze.getRGFree() |
The Hamilton generalized R factor for all reflections that
satisfy the resolution limits established by
_refine_analyze.RG_d_res_high and
_refine_analyze.RG_d_res_low for the free R set of
reflections that were excluded from the refinement.
|
FloatColumn |
RefineAnalyze.getRGFreeWorkRatio() |
The observed ratio of RGfree to RGwork.
|
FloatColumn |
RefineAnalyze.getRGWork() |
The Hamilton generalized R factor for all reflections
that satisfy the resolution limits established by
_refine_analyze.RG_d_res_high and
_refine_analyze.RG_d_res_low and for those
reflections included in the working set when a free R set
of reflections is omitted from the refinement.
|
FloatColumn |
RefineLsClass.getRIFactor() |
For each reflection class, the residual factor R(I) for the
reflections judged significantly intense (i.e.
|
FloatColumn |
ReflnsClass.getRIFactor() |
For each reflection class, the residual factor R(I) for the
reflections judged significantly intense (i.e.
|
FloatColumn |
NdbStructNaBasePairStep.getRise() |
The value of the base pair step rise parameter.
|
FloatColumn |
PdbxHelicalSymmetry.getRisePerNSubunits() |
Angular rotation (degrees) in N subunits
|
FloatColumn |
PdbxHelicalSymmetryDepositorInfo.getRisePerNSubunits() |
Angular rotation (degrees) in N subunits
|
FloatColumn |
PdbxPhasingMADSet.getRKraut() |
_pdbx_phasing_MAD_set.R_kraut records R_kraut
for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getRKraut() |
_pdbx_phasing_MAD_set_shell.R_kraut records R_kraut
for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getRKraut() |
_pdbx_phasing_MAD_shell.R_kraut records R_kraut
for MAD phasing.
|
FloatColumn |
PhasingMIRDerShell.getRKraut() |
Residual factor R~kraut~ for general reflections for this
derivative in this shell.
|
FloatColumn |
PhasingMIRShell.getRKraut() |
Residual factor R~kraut~ for general reflections in this shell.
|
FloatColumn |
PdbxPhasingMADSet.getRKrautAcentric() |
_pdbx_phasing_MAD_set.r_kraut_acentric records r_kraut
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getRKrautAcentric() |
_pdbx_phasing_MAD_set_shell.R_kraut_acentric records R_kraut
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getRKrautAcentric() |
_pdbx_phasing_MAD_shell.r_kraut_acentric records R_kraut
using acentric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSet.getRKrautCentric() |
_pdbx_phasing_MAD_set.R_kraut_centric records r_kraut
using centric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADSetShell.getRKrautCentric() |
_pdbx_phasing_MAD_set_shell.R_kraut_centric records R_kraut
using centric data for MAD phasing.
|
FloatColumn |
PdbxPhasingMADShell.getRKrautCentric() |
_pdbx_phasing_MAD_shell.R_kraut_centric records R_kraut
using centric data for MAD phasing.
|
FloatColumn |
EmDiffractionStats.getRMerge() |
Rmerge value (percent)
|
FloatColumn |
Reflns.getRmergeFAll() |
Residual factor Rmerge for all reflections that satisfy the
resolution limits established by _reflns.d_resolution_high
and _reflns.d_resolution_low.
|
FloatColumn |
ReflnsShell.getRmergeFAll() |
Residual factor Rmerge for all reflections that satisfy the
resolution limits established by _reflns_shell.d_res_high and
_reflns_shell.d_res_low.
|
FloatColumn |
ReflnsShell.getRmergeFGt() |
The value of Rmerge(F) for significantly intense reflections
(see _reflns.threshold_expression) in a given shell.
|
FloatColumn |
Reflns.getRmergeFObs() |
Residual factor Rmerge for reflections that satisfy the
resolution limits established by _reflns.d_resolution_high
and _reflns.d_resolution_low and the observation limit
established by _reflns.observed_criterion.
|
FloatColumn |
ReflnsShell.getRmergeFObs() |
Residual factor Rmerge for reflections that satisfy the
resolution limits established by _reflns_shell.d_res_high and
_reflns_shell.d_res_low and the observation criterion
established by _reflns.observed_criterion.
|
FloatColumn |
ReflnsShell.getRmergeIAll() |
The value of Rmerge(I) for all reflections in a given shell.
|
FloatColumn |
ReflnsShell.getRmergeIGt() |
The value of Rmerge(I) for significantly intense reflections
(see _reflns.threshold_expression) in a given shell.
|
FloatColumn |
PdbxDiffrnReflnsShell.getRmergeIObs() |
The R factor for the reflections that satisfy the merging
criteria for the resolution shell.
|
FloatColumn |
ReflnsShell.getRmergeIObs() |
The value of Rmerge(I) for reflections classified as 'observed'
(see _reflns.observed_criterion) in a given shell.
|
FloatColumn |
PdbxRmsDevsCovalent.getRmsAngles() |
Total RMS deviation for all angles in entry relative to small molecule crystal
standards.
|
FloatColumn |
PdbxRmsDevsCovByMonomer.getRmsAngles() |
RMS deviation for all angles in this monomer relative to small molecule crystal
standards.
|
FloatColumn |
PdbxRmsDevsCovalent.getRmsAnglesBase() |
Total RMS deviation for all base angles in entry relative to small molecule crystal
standards.
|
FloatColumn |
PdbxRmsDevsCovalent.getRmsAnglesPhosphate() |
Total RMS deviation for all phosphate angles in entry relative to small molecule crystal
standards.
|
FloatColumn |
PdbxRmsDevsCovalent.getRmsAnglesSugar() |
Total RMS deviation for all sugar angles in entry relative to small molecule crystal
standards.
|
FloatColumn |
PdbxRmsDevsCovalent.getRmsBonds() |
Total RMS deviation for all bonds in entry relative to small molecule crystal
standards.
|
FloatColumn |
PdbxRmsDevsCovByMonomer.getRmsBonds() |
RMS deviation for all bonds in this monomer relative to small molecule crystal
standards.
|
FloatColumn |
PdbxRmsDevsCovalent.getRmsBondsBase() |
Total RMS deviation for all base bonds in entry relative to small molecule crystal
standards.
|
FloatColumn |
PdbxRmsDevsCovalent.getRmsBondsPhosphate() |
Total RMS deviation for all phosphate bonds in entry relative to small molecule crystal
standards.
|
FloatColumn |
PdbxRmsDevsCovalent.getRmsBondsSugar() |
Total RMS deviation for all sugar bonds in entry relative to small molecule crystal
standards.
|
FloatColumn |
PdbxValidatePlanes.getRmsd() |
The value of the overall deviation from ideal plane for the atoms
defining the plane.
|
FloatColumn |
PdbxRefineLsRestrNcs.getRmsDev() |
The root-mean-square deviation in restraints for the domain
specified by _pdbx_refine_ls_restr_ncs.dom_id and in the domains
against which it was restrained.
|
FloatColumn |
RefineLsRestrNcs.getRmsDevBIso() |
The root-mean-square deviation in equivalent isotropic
displacement parameters in the domain specified by
_refine_ls_restr_ncs.dom_id
and in the domains against which it was restrained.
|
FloatColumn |
RefineLsRestrNcs.getRmsDevPosition() |
The root-mean-square deviation in equivalent atom positions in
the domain specified by _refine_ls_restr_ncs.dom_id and in the
domains against which it was restrained.
|
FloatColumn |
IhmSphereObjSite.getRmsf() |
The Root Mean Square Fluctuation (RMSF) observed in the primitive
sphere object at this position.
|
FloatColumn |
PhasingMADExpt.getRNormalAll() |
Definition...
|
FloatColumn |
PhasingMADExpt.getRNormalAnomScat() |
Definition...
|
FloatColumn |
ValenceParam.getRo() |
The bond-valence parameter Ro used in the expression
s = exp[(Ro - R)/B]
where s is the valence of a bond of length R.
|
FloatColumn |
NdbStructNaBasePairStep.getRoll() |
The value of the base pair step roll parameter.
|
FloatColumn |
PdbxDccGeometry.getRotamerOutliersPercent() |
Percentage of rotamer outliers.
|
FloatColumn |
PdbxHelicalSymmetry.getRotationPerNSubunits() |
Angular rotation (degrees) in N subunits
|
FloatColumn |
PdbxHelicalSymmetryDepositorInfo.getRotationPerNSubunits() |
Angular rotation (degrees) in N subunits
|
FloatColumn |
Ihm2demClassAverageFitting.getRotMatrix11() |
Data item of the rotation matrix used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getRotMatrix11() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getRotMatrix11() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
StructBiolView.getRotMatrix11() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_BIOL_GEN category to give a view useful for describing the
structure.
|
FloatColumn |
StructSiteView.getRotMatrix11() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_SITE_GEN category to an orientation useful for
visualizing the site.
|
FloatColumn |
Ihm2demClassAverageFitting.getRotMatrix12() |
Data item of the rotation matrix used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getRotMatrix12() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getRotMatrix12() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
StructBiolView.getRotMatrix12() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_BIOL_GEN category to give a view useful for describing the
structure.
|
FloatColumn |
StructSiteView.getRotMatrix12() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_SITE_GEN category to an orientation useful for
visualizing the site.
|
FloatColumn |
Ihm2demClassAverageFitting.getRotMatrix13() |
Data item of the rotation matrix used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getRotMatrix13() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getRotMatrix13() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
StructBiolView.getRotMatrix13() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_BIOL_GEN category to give a view useful for describing the
structure.
|
FloatColumn |
StructSiteView.getRotMatrix13() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_SITE_GEN category to an orientation useful for
visualizing the site.
|
FloatColumn |
Ihm2demClassAverageFitting.getRotMatrix21() |
Data item of the rotation matrix used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getRotMatrix21() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getRotMatrix21() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
StructBiolView.getRotMatrix21() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_BIOL_GEN category to give a view useful for describing the
structure.
|
FloatColumn |
StructSiteView.getRotMatrix21() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_SITE_GEN category to an orientation useful for
visualizing the site.
|
FloatColumn |
Ihm2demClassAverageFitting.getRotMatrix22() |
Data item of the rotation matrix used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getRotMatrix22() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getRotMatrix22() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
StructBiolView.getRotMatrix22() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_BIOL_GEN category to give a view useful for describing the
structure.
|
FloatColumn |
StructSiteView.getRotMatrix22() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_SITE_GEN category to an orientation useful for
visualizing the site.
|
FloatColumn |
Ihm2demClassAverageFitting.getRotMatrix23() |
Data item of the rotation matrix used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getRotMatrix23() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getRotMatrix23() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
StructBiolView.getRotMatrix23() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_BIOL_GEN category to give a view useful for describing the
structure.
|
FloatColumn |
StructSiteView.getRotMatrix23() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_SITE_GEN category to an orientation useful for
visualizing the site.
|
FloatColumn |
Ihm2demClassAverageFitting.getRotMatrix31() |
Data item of the rotation matrix used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getRotMatrix31() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getRotMatrix31() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
StructBiolView.getRotMatrix31() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_BIOL_GEN category to give a view useful for describing the
structure.
|
FloatColumn |
StructSiteView.getRotMatrix31() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_SITE_GEN category to an orientation useful for
visualizing the site.
|
FloatColumn |
Ihm2demClassAverageFitting.getRotMatrix32() |
Data item of the rotation matrix used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getRotMatrix32() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getRotMatrix32() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
StructBiolView.getRotMatrix32() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_BIOL_GEN category to give a view useful for describing the
structure.
|
FloatColumn |
StructSiteView.getRotMatrix32() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_SITE_GEN category to an orientation useful for
visualizing the site.
|
FloatColumn |
Ihm2demClassAverageFitting.getRotMatrix33() |
Data item of the rotation matrix used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getRotMatrix33() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getRotMatrix33() |
Data item of the rotation matrix used in the transformation.
|
FloatColumn |
StructBiolView.getRotMatrix33() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_BIOL_GEN category to give a view useful for describing the
structure.
|
FloatColumn |
StructSiteView.getRotMatrix33() |
The elements of the matrix used to rotate the subset of the
Cartesian coordinates in the ATOM_SITE category identified in the
STRUCT_SITE_GEN category an orientation useful for visualizing
the site.
|
FloatColumn |
PdbxPhasingMR.getRRigidBody() |
The value of _pdbx_phasing_MR.R_rigid_body identifies the R factor
for rigid body refinement after rotation and translation.(In general,
rigid body refinement has to be carried out after molecular
replacement.
|
FloatColumn |
PdbxDccMap.getRSCC() |
The Real Space electron density Correlation Coefficient for the
residue.
|
FloatColumn |
StructMonNucl.getRSCCAll() |
The real-space (linear) correlation coefficient RSCC, as
described by Jones et al.
|
FloatColumn |
StructMonProt.getRSCCAll() |
The real-space (linear) correlation coefficient RSCC, as
described by Jones et al.
|
FloatColumn |
StructMonNucl.getRSCCBase() |
The real-space (linear) correlation coefficient RSCC, as
described by Jones et al.
|
FloatColumn |
StructMonProt.getRSCCMain() |
The real-space (linear) correlation coefficient RSCC, as
described by Jones et al.
|
FloatColumn |
PdbxDccMap.getRSCCMainChain() |
The Real Space electron density Correlation Coefficient for the main chain atoms.
|
FloatColumn |
StructMonNucl.getRSCCPhos() |
The real-space (linear) correlation coefficient RSCC, as
described by Jones et al.
|
FloatColumn |
PdbxDccMap.getRSCCPhosphateGroup() |
The Real Space electron density Correlation Coefficient for the phosphate atoms.
|
FloatColumn |
StructMonProt.getRSCCSide() |
The real-space (linear) correlation coefficient RSCC, as
described by Jones et al.
|
FloatColumn |
PdbxDccMap.getRSCCSideChain() |
The Real Space electron density Correlation Coefficient for the side chain atoms.
|
FloatColumn |
StructMonNucl.getRSCCSugar() |
The real-space (linear) correlation coefficient RSCC, as
described by Jones et al.
|
FloatColumn |
PdbxDccMap.getRSR() |
The Real space Rfactor (RSR) for the residue.
|
FloatColumn |
StructMonNucl.getRSRAll() |
The real-space residual RSR, as described by Branden & Jones
(1990), evaluated over all atoms in the nucleic acid monomer.
|
FloatColumn |
StructMonProt.getRSRAll() |
The real-space residual RSR, as described by Branden & Jones
(1990), evaluated over all atoms in the monomer.
|
FloatColumn |
StructMonNucl.getRSRBase() |
The real-space residual RSR, as described by Branden & Jones
(1990), evaluated over all atoms in the base moiety of the
nucleic acid monomer.
|
FloatColumn |
StructMonProt.getRSRMain() |
The real-space residual RSR, as described by Branden & Jones
(1990), evaluated over all atoms in the main chain of the
monomer.
|
FloatColumn |
PdbxDccMap.getRSRMainChain() |
The Real space Rfactor (RSR) for the main chain atoms.
|
FloatColumn |
StructMonNucl.getRSRPhos() |
The real-space residual RSR, as described by Branden & Jones
(1990), evaluated over all atoms in the phosphate moiety of the
nucleic acid monomer.
|
FloatColumn |
PdbxDccMap.getRSRPhosphateGroup() |
The Real space Rfactor (RSR) for the phosphate atoms.
|
FloatColumn |
StructMonProt.getRSRSide() |
The real-space residual RSR, as described by Branden & Jones
(1990), evaluated over all atoms in the side chain of the
monomer.
|
FloatColumn |
PdbxDccMap.getRSRSideChain() |
The Real space Rfactor (RSR) for the side chain atoms.
|
FloatColumn |
StructMonNucl.getRSRSugar() |
The real-space residual RSR, as described by Branden & Jones
(1990), evaluated over all atoms in the sugar moiety of the
nucleic acid monomer.
|
FloatColumn |
PdbxDccMap.getRSRZ() |
Zscore of the Real Space Rfactor (RSRZ) for the residue.
|
FloatColumn |
PdbxDccMap.getRSRZMainChain() |
Zscore of the Real Space Rfactor (RSRZ) for the main chain atoms.
|
FloatColumn |
PdbxDccMap.getRSRZPhosphateGroup() |
Zscore of the Real Space Rfactor (RSRZ) for the phosphate atoms.
|
FloatColumn |
PdbxDccMap.getRSRZSideChain() |
Zscore of the Real Space Rfactor (RSRZ) for the side chain atoms.
|
FloatColumn |
EmDiffractionStats.getRSym() |
Rsym value (percent)
|
FloatColumn |
PdbxDiffrnReflnsShell.getRsymValue() |
The R factor for averaging the symmetry related reflections
for the resolution shell.
|
FloatColumn |
PdbxDccMap.getRSZD() |
The real space difference density Z score
(defined as Delta_rho/sigma(Delta_rho)) from Tickle (2012).
|
FloatColumn |
PdbxDccMap.getRSZDMainChain() |
The same as _pdbx_dcc_map.RSZD, use for the main chain atoms.
|
FloatColumn |
PdbxDccMap.getRSZDPhosphateGroup() |
The same as _pdbx_dcc_map.RSZD, use for the phosphate atoms of
nucleic acids.
|
FloatColumn |
PdbxDccMap.getRSZDSideChain() |
The same as _pdbx_dcc_map.RSZD, use for the side chain atoms.
|
FloatColumn |
PdbxDccMap.getRSZO() |
The real space observed density Z score (defined as <rho_obs>/sigma(Delta_rho))
from Tickle (2012).
|
FloatColumn |
PdbxDccMap.getRSZOMainChain() |
The same as _pdbx_dcc_map.RSZO, use for the main chain atoms.
|
FloatColumn |
PdbxDccMap.getRSZOPhosphateGroup() |
The same as _pdbx_dcc_map.RSZO, use for the phosphate atoms of
nucleic acids.
|
FloatColumn |
PdbxDccMap.getRSZOSideChain() |
The same as _pdbx_dcc_map.RSZO, use for the side chain atoms.
|
FloatColumn |
PdbxDccMap.getRSZOZscore() |
The Zscore of RSZO (or the Zscore of <rho_obs>/sigma(Delta_rho)).
|
FloatColumn |
PdbxDccDensity.getRValueRFree() |
The Rfree reported in the model file.
|
FloatColumn |
PdbxDccDensity.getRValueRWork() |
The Rwork reported in the model file.
|
FloatColumn |
PdbxRefineTls.getS11() |
The elements of the screw-rotation tensor S.
|
FloatColumn |
PdbxRefineTls.getS11Esd() |
The estimated standard deviation of _pdbx_refine_tls.S.
|
FloatColumn |
PdbxRefineTls.getS12() |
The elements of the screw-rotation tensor S.
|
FloatColumn |
PdbxRefineTls.getS12Esd() |
The estimated standard deviation of _pdbx_refine_tls.S.
|
FloatColumn |
PdbxRefineTls.getS13() |
The elements of the screw-rotation tensor S.
|
FloatColumn |
PdbxRefineTls.getS13Esd() |
The estimated standard deviation of _pdbx_refine_tls.S.
|
FloatColumn |
PdbxRefineTls.getS21() |
The elements of the screw-rotation tensor S.
|
FloatColumn |
PdbxRefineTls.getS21Esd() |
The estimated standard deviation of _pdbx_refine_tls.S.
|
FloatColumn |
PdbxRefineTls.getS22() |
The elements of the screw-rotation tensor S.
|
FloatColumn |
PdbxRefineTls.getS22Esd() |
The estimated standard deviation of _pdbx_refine_tls.S.
|
FloatColumn |
PdbxRefineTls.getS23() |
The elements of the screw-rotation tensor S.
|
FloatColumn |
PdbxRefineTls.getS23Esd() |
The estimated standard deviation of _pdbx_refine_tls.S.
|
FloatColumn |
PdbxRefineTls.getS31() |
The elements of the screw-rotation tensor S.
|
FloatColumn |
PdbxRefineTls.getS31Esd() |
The estimated standard deviation of _pdbx_refine_tls.S.
|
FloatColumn |
PdbxRefineTls.getS32() |
The elements of the screw-rotation tensor S.
|
FloatColumn |
PdbxRefineTls.getS32Esd() |
The estimated standard deviation of _pdbx_refine_tls.S.
|
FloatColumn |
PdbxRefineTls.getS33() |
The elements of the screw-rotation tensor S.
|
FloatColumn |
PdbxRefineTls.getS33Esd() |
The estimated standard deviation of _pdbx_refine_tls.S.
|
FloatColumn |
EmSamplePreparation.getSampleConcentration() |
The value of the concentration (mg per milliliter)
of the complex in the sample.
|
FloatColumn |
PdbxEntitySrcGenChrom.getSampleConcentration() |
The concentration of the protein solution put onto the column.
|
FloatColumn |
PdbxSolnScatter.getSamplePH() |
The pH value of the buffered sample.
|
FloatColumn |
PdbxSerialCrystallographySampleDeliveryFixedTarget.getSampleUnitSize() |
Size of pore in grid supporting sample.
|
FloatColumn |
PdbxEntitySrcGenChrom.getSampleVolume() |
The volume of protein solution run on the column.
|
FloatColumn |
EmImageScans.getSamplingSize() |
The sampling step size (microns) set on the scanner.
|
FloatColumn |
DiffrnAttenuator.getScale() |
The scale factor applied when an intensity measurement is
reduced by an attenuator identified by _diffrn_attenuator.code.
|
FloatColumn |
DatabasePDBMatrix.getScale11() |
The elements of the PDB SCALE matrix.
|
FloatColumn |
DatabasePDBMatrix.getScale12() |
The elements of the PDB SCALE matrix.
|
FloatColumn |
DatabasePDBMatrix.getScale13() |
The elements of the PDB SCALE matrix.
|
FloatColumn |
DatabasePDBMatrix.getScale21() |
The elements of the PDB SCALE matrix.
|
FloatColumn |
DatabasePDBMatrix.getScale22() |
The elements of the PDB SCALE matrix.
|
FloatColumn |
DatabasePDBMatrix.getScale23() |
The elements of the PDB SCALE matrix.
|
FloatColumn |
DatabasePDBMatrix.getScale31() |
The elements of the PDB SCALE matrix.
|
FloatColumn |
DatabasePDBMatrix.getScale32() |
The elements of the PDB SCALE matrix.
|
FloatColumn |
DatabasePDBMatrix.getScale33() |
The elements of the PDB SCALE matrix.
|
FloatColumn |
DiffrnStandards.getScaleSigma() |
The standard uncertainty (estimated standard deviation) of
the individual mean standard scales applied to the intensity
data.
|
FloatColumn |
DiffrnStandards.getScaleU() |
The standard uncertainty of the individual mean
standard scales applied to the intensity data.
|
FloatColumn |
DatabasePDBMatrix.getScaleVector1() |
The elements of the PDB SCALE vector.
|
FloatColumn |
DatabasePDBMatrix.getScaleVector2() |
The elements of the PDB SCALE vector.
|
FloatColumn |
DatabasePDBMatrix.getScaleVector3() |
The elements of the PDB SCALE vector.
|
FloatColumn |
PdbxDataProcessingDetector.getScaleY() |
The value applied to the Y direction.
|
FloatColumn |
DiffrnRefln.getScanRate() |
The rate of scanning a reflection in degrees per minute
to measure the intensity.
|
FloatColumn |
DiffrnRefln.getScanTimeBackgd() |
The time spent measuring each background in seconds.
|
FloatColumn |
DiffrnRefln.getScanWidth() |
The scan width in degrees of the scan mode defined by the code
_diffrn_refln.scan_mode.
|
FloatColumn |
AtomType.getScatCromerMannA1() |
The Cromer-Mann scattering-factor coefficient a1 used to
calculate the scattering factors for this atom type.
|
FloatColumn |
AtomType.getScatCromerMannA2() |
The Cromer-Mann scattering-factor coefficient a2 used to
calculate the scattering factors for this atom type.
|
FloatColumn |
AtomType.getScatCromerMannA3() |
The Cromer-Mann scattering-factor coefficient a3 used to
calculate the scattering factors for this atom type.
|
FloatColumn |
AtomType.getScatCromerMannA4() |
The Cromer-Mann scattering-factor coefficient a4 used to
calculate the scattering factors for this atom type.
|
FloatColumn |
AtomType.getScatCromerMannB1() |
The Cromer-Mann scattering-factor coefficient b1 used to
calculate the scattering factors for this atom type.
|
FloatColumn |
AtomType.getScatCromerMannB2() |
The Cromer-Mann scattering-factor coefficient b2 used to
calculate the scattering factors for this atom type.
|
FloatColumn |
AtomType.getScatCromerMannB3() |
The Cromer-Mann scattering-factor coefficient b3 used to
calculate the scattering factors for this atom type.
|
FloatColumn |
AtomType.getScatCromerMannB4() |
The Cromer-Mann scattering-factor coefficient b4 used to
calculate the scattering factors for this atom type.
|
FloatColumn |
AtomType.getScatCromerMannC() |
The Cromer-Mann scattering-factor coefficient c used to
calculate the scattering factors for this atom type.
|
FloatColumn |
AtomType.getScatDispersionImag() |
The imaginary component of the anomalous-dispersion
scattering factor, f'', in electrons for this atom type and
the radiation identified by _diffrn_radiation_wavelength.id.
|
FloatColumn |
AtomType.getScatDispersionReal() |
The real component of the anomalous-dispersion
scattering factor, f', in electrons for this atom type and
the radiation identified by _diffrn_radiation_wavelength.id.
|
FloatColumn |
NdbStructNaBasePair.getShear() |
The value of the base pair shear parameter.
|
FloatColumn |
NdbStructNaBasePairStep.getShift() |
The value of the base pair step shift parameter.
|
FloatColumn |
PdbxDccMap.getShift() |
Defined in sfcheck (displacement/sigma_of_displacement).
|
FloatColumn |
PdbxRefineComponent.getShift() |
The tendency of the group of atoms (e.g.
|
FloatColumn |
PdbxDccMap.getShiftMainChain() |
The same as _pdbx_dcc_map.density_shift, but it is for main chain.
|
FloatColumn |
PdbxRefineComponent.getShiftMainChain() |
The tendency of the group of atoms (e.g.
|
FloatColumn |
PdbxDccMap.getShiftSideChain() |
The same as _pdbx_dcc_map.density_shift, but it is for side chain.
|
FloatColumn |
PdbxRefineComponent.getShiftSideChain() |
The tendency of the group of atoms (e.g.
|
FloatColumn |
IhmCrossLinkRestraint.getSigma1() |
The uncertainty in the position of residue 1 in the crosslink
arising due to the multi-scale nature of the model represention.
|
FloatColumn |
IhmCrossLinkResultParameters.getSigma1() |
The uncertainty in the position of residue 1 in the crosslink
arising due to the multi-scale nature of the model represention.
|
FloatColumn |
IhmCrossLinkRestraint.getSigma2() |
The uncertainty in the position of residue 2 in the crosslink
arising due to the multi-scale nature of the model represention.
|
FloatColumn |
IhmCrossLinkResultParameters.getSigma2() |
The uncertainty in the position of residue 2 in the crosslink
arising due to the multi-scale nature of the model represention.
|
FloatColumn |
PdbxPhasingMR.getSigmaFRotation() |
The value of _pdbx_phasing_MR.sigma_F_rotation identifies the
sigma cut off of structure factor used for rotation search.
|
FloatColumn |
PdbxPhasingMR.getSigmaFTranslation() |
The value of _pdbx_phasing_MR.sigma_F_translation identifies the
sigma cut off of structure factor used for translation search.
|
FloatColumn |
ReflnSysAbs.getSigmaI() |
The standard uncertainty (estimated standard deviation) of
_refln_sys_abs.I in arbitrary units.
|
FloatColumn |
PdbxPhasingMR.getSigmaIRotation() |
The value of _pdbx_phasing_MR.sigma_I_rotation identifies the
sigma cut off of intensity used for rotation search.
|
FloatColumn |
PdbxPhasingMR.getSigmaITranslation() |
The value of _pdbx_phasing_MR.sigma_I_translation identifies the
sigma cut off of intensity used for translation search.
|
FloatColumn |
DiffrnRefln.getSintOverLambda() |
The (sin theta)/lambda value in reciprocal angstroms for this
reflection.
|
FloatColumn |
Refln.getSintOverLambda() |
The (sin theta)/lambda value in reciprocal angstroms for this
reflection.
|
FloatColumn |
ExptlCrystal.getSizeMax() |
The maximum dimension of the crystal.
|
FloatColumn |
ExptlCrystal.getSizeMid() |
The medial dimension of the crystal.
|
FloatColumn |
ExptlCrystal.getSizeMin() |
The minimum dimension of the crystal.
|
FloatColumn |
ExptlCrystal.getSizeRad() |
The radius of the crystal, if the crystal is a sphere or a
cylinder.
|
FloatColumn |
PdbxDataProcessingDetector.getSkew() |
The skew value.
|
FloatColumn |
NdbStructNaBasePairStep.getSlide() |
The value of the base pair step slide parameter.
|
FloatColumn |
PdbxDccDensity.getSolventContent() |
The solvent content.
|
FloatColumn |
Refine.getSolventModelParamBsol() |
The value of the BSOL solvent-model parameter describing
the average isotropic displacement parameter of disordered
solvent atoms.
|
FloatColumn |
Refine.getSolventModelParamKsol() |
The value of the KSOL solvent-model parameter describing
the ratio of the electron density in the bulk solvent to the
electron density in the molecular solute.
|
FloatColumn |
PdbxSerialCrystallographyMeasurement.getSourceDistance() |
The distance from source to the sample along the optical axis (metres).
|
FloatColumn |
PdbxSerialCrystallographyMeasurement.getSourceSize() |
The dimension of the source beam measured at the source (micrometres squared).
|
FloatColumn |
PdbxExptlPd.getSpecPreparationPH() |
The pH at which the powder sample was prepared.
|
FloatColumn |
NdbStructNaBasePair.getStagger() |
The value of the base pair stagger parameter.
|
FloatColumn |
EmMap.getStatisticsAverage() |
Mean (average) density value of the map.
|
FloatColumn |
EmMap.getStatisticsMaximum() |
Maximum density value of the map.
|
FloatColumn |
EmMap.getStatisticsMinimum() |
Minimum density value of the map.
|
FloatColumn |
EmMap.getStatisticsStd() |
The standard deviation of the map density values.
|
FloatColumn |
PdbxEntitySrcGenPure.getStorageTemperature() |
The temperature in degrees celsius at which the protein was stored.
|
FloatColumn |
NdbStructNaBasePair.getStretch() |
The value of the base pair stretch parameter.
|
FloatColumn |
PdbxNmrSpectralDim.getSweepWidth() |
The width of the spectral window observed in Hz.
|
FloatColumn |
PdbxRefineTls.getT11() |
The elements of the translation tensor T.
|
FloatColumn |
PdbxRefineTls.getT11Esd() |
The estimated standard deviation of _pdbx_refine_tls.T.
|
FloatColumn |
PdbxRefineTls.getT12() |
The elements of the translation tensor T.
|
FloatColumn |
PdbxRefineTls.getT12Esd() |
The estimated standard deviation of _pdbx_refine_tls.T.
|
FloatColumn |
PdbxRefineTls.getT13() |
The elements of the translation tensor T.
|
FloatColumn |
PdbxRefineTls.getT13Esd() |
The estimated standard deviation of _pdbx_refine_tls.T.
|
FloatColumn |
PdbxRefineTls.getT22() |
The elements of the translation tensor T.
|
FloatColumn |
PdbxRefineTls.getT22Esd() |
The estimated standard deviation of _pdbx_refine_tls.T.
|
FloatColumn |
PdbxRefineTls.getT23() |
The elements of the translation tensor T.
|
FloatColumn |
PdbxRefineTls.getT23Esd() |
The estimated standard deviation of _pdbx_refine_tls.T.
|
FloatColumn |
PdbxRefineTls.getT33() |
The elements of the translation tensor T.
|
FloatColumn |
PdbxRefineTls.getT33Esd() |
The estimated standard deviation of _pdbx_refine_tls.T.
|
FloatColumn |
DiffrnSource.getTake_offAngle() |
The complement of the angle in degrees between the normal
to the surface of the X-ray tube target and the primary
X-ray beam for beams generated by traditional X-ray tubes.
|
FloatColumn |
StructMonNucl.getTau0() |
The value in degrees of the sugar torsion angle tau0
(C4'-O4'-C1'-C2').
|
FloatColumn |
StructMonNucl.getTau1() |
The value in degrees of the sugar torsion angle tau1
(O4'-C1'-C2'-C3').
|
FloatColumn |
StructMonNucl.getTau2() |
The value in degrees of the sugar torsion angle tau2
(C1'-C2'-C3'-C4').
|
FloatColumn |
StructMonNucl.getTau3() |
The value in degrees of the sugar torsion angle tau3
(C2'-C3'-C4'-O4').
|
FloatColumn |
StructMonNucl.getTau4() |
The value in degrees of the sugar torsion angle tau4
(C3'-C4'-O4'-C1').
|
FloatColumn |
StructMonNucl.getTaum() |
The maximum amplitude of puckering.
|
FloatColumn |
CellMeasurement.getTemp() |
The temperature in kelvins at which the unit-cell parameters
were measured (not the temperature of synthesis).
|
FloatColumn |
EmVitrification.getTemp() |
The vitrification temperature (in degrees Kelvin), e.g.,
temperature of the plunge instrument cryogen bath.
|
FloatColumn |
ExptlCrystalGrow.getTemp() |
The temperature in kelvins at which the crystal was grown.
|
FloatColumn |
PhasingSet.getTemp() |
The temperature in kelvins at which the data set was
measured.
|
FloatColumn |
EmImaging.getTemperature() |
The mean specimen stage temperature (degrees Kelvin) during imaging
in the microscope.
|
FloatColumn |
PdbxEntitySrcGenCloneLigation.getTemperature() |
The temperature at which the ligation experiment was performed, in degrees
celsius.
|
FloatColumn |
PdbxEntitySrcGenFract.getTemperature() |
The temperature in degrees celsius at which the fractionation was performed.
|
FloatColumn |
PdbxEntitySrcGenLysis.getTemperature() |
The temperature in degrees celsius at which the lysis was performed.
|
FloatColumn |
PdbxEntitySrcGenRefold.getTemperature() |
The temperature in degrees celsius at which the protein was refolded.
|
FloatColumn |
PdbxSolnScatter.getTemperature() |
The temperature in kelvins at which the experiment
was conducted
|
FloatColumn |
Chemical.getTemperatureDecomposition() |
The temperature in kelvins at which the solid decomposes.
|
FloatColumn |
Chemical.getTemperatureDecompositionEsd() |
The estimated standard deviation of
_chemical.temperature_decomposition.
|
FloatColumn |
Chemical.getTemperatureDecompositionGt() |
A temperature in kelvins above which the solid is known to
decompose.
|
FloatColumn |
Chemical.getTemperatureDecompositionLt() |
A temperature in kelvins below which the solid is known to
decompose.
|
FloatColumn |
PdbxNmrExptlSampleConditions.getTemperatureErr() |
Estimate of the standard error for the value for the sample temperature.
|
FloatColumn |
Chemical.getTemperatureSublimation() |
The temperature in kelvins at which the solid sublimes.
|
FloatColumn |
Chemical.getTemperatureSublimationEsd() |
The estimated standard deviation of
_chemical.temperature_sublimation.
|
FloatColumn |
Chemical.getTemperatureSublimationGt() |
A temperature in kelvins above which the solid is known to
sublime.
|
FloatColumn |
Chemical.getTemperatureSublimationLt() |
A temperature in kelvins below which the solid is known to
sublime.
|
FloatColumn |
CellMeasurement.getTempEsd() |
The standard uncertainty (estimated standard deviation)
of _cell_measurement.temp.
|
FloatColumn |
ExptlCrystalGrow.getTempEsd() |
The standard uncertainty (estimated standard deviation)
of _exptl_crystal_grow.temp.
|
FloatColumn |
IhmStartingComparativeModels.getTemplateSequenceIdentity() |
The percentage sequence identity between the template sequence and the comparative model sequence.
|
FloatColumn |
CellMeasurementRefln.getTheta() |
Theta angle for a reflection used for measurement of
the unit cell in degrees.
|
FloatColumn |
CellMeasurement.getThetaMax() |
The maximum theta angle of reflections used to measure
the unit cell in degrees.
|
FloatColumn |
DiffrnReflns.getThetaMax() |
Maximum theta angle in degrees for the measured diffraction
intensities.
|
FloatColumn |
CellMeasurement.getThetaMin() |
The minimum theta angle of reflections used to measure
the unit cell in degrees.
|
FloatColumn |
DiffrnReflns.getThetaMin() |
Minimum theta angle in degrees for the measured diffraction
intensities.
|
FloatColumn |
EmShadowing.getThickness() |
Thickness of the deposited shadow coat, in Angstroms.
|
FloatColumn |
EmSupportFilm.getThickness() |
Thickness of the support film, in Angstroms
|
FloatColumn |
IhmGeometricObjectHalfTorus.getThicknessTh() |
Thickness "th" of the half-torus.
|
FloatColumn |
NdbStructNaBasePairStep.getTilt() |
The value of the base pair step tilt parameter.
|
FloatColumn |
EmImaging.getTiltAngleMax() |
The maximum angle at which the specimen was tilted to obtain
recorded images.
|
FloatColumn |
EmImaging.getTiltAngleMin() |
The minimum angle at which the specimen was tilted to obtain
recorded images.
|
FloatColumn |
PdbxEntitySrcGenLysis.getTime() |
The time in seconds of the lysis experiment.
|
FloatColumn |
PdbxEntitySrcGenRefold.getTime() |
The time in hours over which the protein was refolded.
|
FloatColumn |
NdbStructNaBasePairStep.getTip() |
The value of the base pair step twist parameter.
|
FloatColumn |
DiffrnReflns.getTransfMatrix11() |
The elements of the 3x3 matrix used to transform Miller
indices in the DIFFRN_REFLN category into the Miller indices in
the REFLN category.
|
FloatColumn |
DiffrnReflns.getTransfMatrix12() |
The elements of the 3x3 matrix used to transform Miller
indices in the DIFFRN_REFLN category into the Miller indices in
the REFLN category.
|
FloatColumn |
DiffrnReflns.getTransfMatrix13() |
The elements of the 3x3 matrix used to transform Miller
indices in the DIFFRN_REFLN category into the Miller indices in
the REFLN category.
|
FloatColumn |
DiffrnReflns.getTransfMatrix21() |
The elements of the 3x3 matrix used to transform Miller
indices in the DIFFRN_REFLN category into the Miller indices in
the REFLN category.
|
FloatColumn |
DiffrnReflns.getTransfMatrix22() |
The elements of the 3x3 matrix used to transform Miller
indices in the DIFFRN_REFLN category into the Miller indices in
the REFLN category.
|
FloatColumn |
DiffrnReflns.getTransfMatrix23() |
The elements of the 3x3 matrix used to transform Miller
indices in the DIFFRN_REFLN category into the Miller indices in
the REFLN category.
|
FloatColumn |
DiffrnReflns.getTransfMatrix31() |
The elements of the 3x3 matrix used to transform Miller
indices in the DIFFRN_REFLN category into the Miller indices in
the REFLN category.
|
FloatColumn |
DiffrnReflns.getTransfMatrix32() |
The elements of the 3x3 matrix used to transform Miller
indices in the DIFFRN_REFLN category into the Miller indices in
the REFLN category.
|
FloatColumn |
DiffrnReflns.getTransfMatrix33() |
The elements of the 3x3 matrix used to transform Miller
indices in the DIFFRN_REFLN category into the Miller indices in
the REFLN category.
|
FloatColumn |
Ihm2demClassAverageFitting.getTrVector1() |
Data item of the tranlation vector used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getTrVector1() |
Data item of the translation vector used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getTrVector1() |
Data item of the translation vector used in the transformation.
|
FloatColumn |
Ihm2demClassAverageFitting.getTrVector2() |
Data item of the tranlation vector used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getTrVector2() |
Data item of the translation vector used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getTrVector2() |
Data item of the translation vector used in the transformation.
|
FloatColumn |
Ihm2demClassAverageFitting.getTrVector3() |
Data item of the tranlation vector used in the fitting of the model to the image.
|
FloatColumn |
IhmDataTransformation.getTrVector3() |
Data item of the translation vector used in the transformation.
|
FloatColumn |
IhmGeometricObjectTransformation.getTrVector3() |
Data item of the translation vector used in the transformation.
|
FloatColumn |
PdbxDccDensity.getTwinFractionXtriage() |
The twin fraction determined by Xtriage.
|
FloatColumn |
PdbxDccDensity.getTwinRfactor() |
The Rfactor calculated by Xtriage using the twin operator related
data.
|
FloatColumn |
NdbStructNaBasePairStep.getTwist() |
The value of the base pair step twist parameter.
|
FloatColumn |
AtomSiteAnisotrop.getU11() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getU11Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.U.
|
FloatColumn |
AtomSiteAnisotrop.getU12() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getU12Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.U.
|
FloatColumn |
AtomSiteAnisotrop.getU13() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getU13Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.U.
|
FloatColumn |
AtomSiteAnisotrop.getU22() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getU22Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.U.
|
FloatColumn |
AtomSiteAnisotrop.getU23() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getU23Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.U.
|
FloatColumn |
AtomSiteAnisotrop.getU33() |
The elements of the standard anisotropic atomic
displacement matrix U, which appears in the structure-factor
term as:
T = exp{-2 pi^2^ sum~i~[sum~j~(U^ij^ h~i~ h~j~ a*~i~ a*~j~)]}
h = the Miller indices
a* = the reciprocal space cell lengths
These matrix elements may appear with atomic coordinates
in the ATOM_SITE category, or they may appear in the separate
ATOM_SITE_ANISOTROP category, but they may not appear in both
places.
|
FloatColumn |
AtomSiteAnisotrop.getU33Esd() |
The standard uncertainty (estimated standard deviation)
of _atom_site_anisotrop.U.
|
FloatColumn |
DiffrnOrientMatrix.getUB11() |
The elements of the 3x3 matrix that defines the dimensions
of the reciprocal cell and its orientation with respect to the
local diffractometer axes.
|
FloatColumn |
DiffrnOrientMatrix.getUB12() |
The elements of the 3x3 matrix that defines the dimensions
of the reciprocal cell and its orientation with respect to the
local diffractometer axes.
|
FloatColumn |
DiffrnOrientMatrix.getUB13() |
The elements of the 3x3 matrix that defines the dimensions
of the reciprocal cell and its orientation with respect to the
local diffractometer axes.
|
FloatColumn |
DiffrnOrientMatrix.getUB21() |
The elements of the 3x3 matrix that defines the dimensions
of the reciprocal cell and its orientation with respect to the
local diffractometer axes.
|
FloatColumn |
DiffrnOrientMatrix.getUB22() |
The elements of the 3x3 matrix that defines the dimensions
of the reciprocal cell and its orientation with respect to the
local diffractometer axes.
|
FloatColumn |
DiffrnOrientMatrix.getUB23() |
The elements of the 3x3 matrix that defines the dimensions
of the reciprocal cell and its orientation with respect to the
local diffractometer axes.
|
FloatColumn |
DiffrnOrientMatrix.getUB31() |
The elements of the 3x3 matrix that defines the dimensions
of the reciprocal cell and its orientation with respect to the
local diffractometer axes.
|
FloatColumn |
DiffrnOrientMatrix.getUB32() |
The elements of the 3x3 matrix that defines the dimensions
of the reciprocal cell and its orientation with respect to the
local diffractometer axes.
|
FloatColumn |
DiffrnOrientMatrix.getUB33() |
The elements of the 3x3 matrix that defines the dimensions
of the reciprocal cell and its orientation with respect to the
local diffractometer axes.
|
FloatColumn |
AtomSite.getUEquivGeomMean() |
Equivalent isotropic atomic displacement parameter, U~eq~,
in angstroms squared, calculated as the geometric mean of
the anisotropic atomic displacement parameters.
|
FloatColumn |
AtomSite.getUEquivGeomMeanEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.U_equiv_geom_mean.
|
FloatColumn |
AtomSite.getUIsoOrEquiv() |
Isotropic atomic displacement parameter, or equivalent isotropic
atomic displacement parameter, U~eq~, calculated from
anisotropic atomic displacement parameters.
|
FloatColumn |
AtomSite.getUIsoOrEquivEsd() |
The standard uncertainty (estimated standard deviation)
of _atom_site.U_iso_or_equiv.
|
FloatColumn |
PdbxBondDistanceLimits.getUpperLimit() |
The upper bond distance limit.
|
FloatColumn |
PdbxAtomSiteAnisoTls.getUTls11() |
The elements of the TLS contribution to the atomic
displacement matrix U.
|
FloatColumn |
PdbxAtomSiteAnisoTls.getUTls12() |
The elements of the TLS contribution to the atomic
displacement matrix U.
|
FloatColumn |
PdbxAtomSiteAnisoTls.getUTls13() |
The elements of the TLS contribution to the atomic
displacement matrix U.
|
FloatColumn |
PdbxAtomSiteAnisoTls.getUTls22() |
The elements of the TLS contribution to the atomic
displacement matrix U.
|
FloatColumn |
PdbxAtomSiteAnisoTls.getUTls23() |
The elements of the TLS contribution to the atomic
displacement matrix U.
|
FloatColumn |
PdbxAtomSiteAnisoTls.getUTls33() |
The elements of the TLS contribution to the atomic
displacement matrix U.
|
FloatColumn |
PdbxNmrSystematicChemShiftOffset.getVal() |
Chemical shift value that has been applied to all of the reported chemical
shifts to bring their values in line with values expected to be observed for
the chemical shift referencing that was used.
|
FloatColumn |
PdbxNmrSystematicChemShiftOffset.getValErr() |
Error in the reported chemical shift offset value used.
|
FloatColumn |
EmEntityAssemblyMolwt.getValue() |
The molecular weight of the assembly component.
|
FloatColumn |
GeomAngle.getValue() |
Angle in degrees defined by the three sites
_geom_angle.atom_site_id_1, _geom_angle.atom_site_id_2 and
_geom_angle.atom_site_id_3.
|
FloatColumn |
GeomTorsion.getValue() |
The value of the torsion angle in degrees.
|
FloatColumn |
PdbxStructConnAngle.getValue() |
Angle in degrees defined by the three sites
_pdbx_struct_conn_angle.ptnr1_label_atom_id,
_pdbx_struct_conn_angle.ptnr2_label_atom_id
_pdbx_struct_conn_angle.ptnr3_label_atom_id
|
FloatColumn |
PdbxVirtualAngle.getValue() |
Angle in degrees bounded by the three sites
_pdbx_virtual_angle.atom_site_id_1, _pdbx_virtual_angle.atom_site_id_2 and
_pdbx_virtual_angle.atom_site_id_3.
|
FloatColumn |
PdbxVirtualTorsion.getValue() |
The value of the torsion angle in degrees.
|
FloatColumn |
RefineBIso.getValue() |
The value of the isotropic B factor (displacement parameter)
assigned to a class of atoms defined in _refine_B_iso.class.
|
FloatColumn |
RefineOccupancy.getValue() |
The value of occupancy assigned to a class of atoms defined in
_refine_occupancy.class.
|
FloatColumn |
ChemCompAngle.getValueAngle() |
The value that should be taken as the target value for the angle
associated with the specified atoms, expressed in degrees.
|
FloatColumn |
ChemLinkAngle.getValueAngle() |
The value that should be taken as the target value for the angle
associated with the specified atoms, expressed in degrees.
|
FloatColumn |
ChemCompAngle.getValueAngleEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_comp_angle.value_angle.
|
FloatColumn |
ChemLinkAngle.getValueAngleEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_link_angle.value_angle.
|
FloatColumn |
ChemCompAngle.getValueDist() |
The value that should be taken as the target value for the angle
associated with the specified atoms, expressed as the distance
between the atoms specified by _chem_comp_angle.atom_id_1 and
_chem_comp_angle.atom_id_3.
|
FloatColumn |
ChemCompBond.getValueDist() |
The value that should be taken as the target for the chemical
bond associated with the specified atoms, expressed as a
distance.
|
FloatColumn |
ChemLinkAngle.getValueDist() |
The value that should be taken as the target value for the angle
associated with the specified atoms, expressed as the distance
between the atoms specified by _chem_comp_angle.atom_id_1 and
_chem_comp_angle.atom_id_3.
|
FloatColumn |
ChemLinkBond.getValueDist() |
The value that should be taken as the target for the chemical
bond associated with the specified atoms, expressed as a
distance.
|
FloatColumn |
ChemCompAngle.getValueDistEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_comp_angle.value_dist.
|
FloatColumn |
ChemCompBond.getValueDistEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_comp_bond.value_dist.
|
FloatColumn |
ChemLinkAngle.getValueDistEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_comp_angle.value_dist.
|
FloatColumn |
ChemLinkBond.getValueDistEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_link_bond.value_dist.
|
FloatColumn |
GeomAngle.getValueEsd() |
The standard uncertainty (estimated standard deviation)
of _geom_angle.value.
|
FloatColumn |
GeomTorsion.getValueEsd() |
The standard uncertainty (estimated standard deviation)
of _geom_torsion.value.
|
FloatColumn |
PdbxStructConnAngle.getValueEsd() |
The standard uncertainty (estimated standard deviation)
of _pdbx_struct_conn_angle.value
|
FloatColumn |
PdbxVirtualAngle.getValueEsd() |
The estimated standard deviation of _pdbx_virtual_angle.value.
|
FloatColumn |
PdbxVirtualTorsion.getValueEsd() |
The estimated standard deviation of _pdbx_virtual_torsion.value.
|
FloatColumn |
DatabasePDBTvect.getVector1() |
The elements of the PDB TVECT vector.
|
FloatColumn |
PdbxStructLegacyOperList.getVector1() |
The elements of the three-element vector component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getVector1() |
The elements of the three-element vector component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getVector1() |
The elements of the three-element vector component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getVector1() |
The elements of the three-element vector component of a
noncrystallographic symmetry operation.
|
FloatColumn |
DatabasePDBTvect.getVector2() |
The elements of the PDB TVECT vector.
|
FloatColumn |
PdbxStructLegacyOperList.getVector2() |
The elements of the three-element vector component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getVector2() |
The elements of the three-element vector component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getVector2() |
The elements of the three-element vector component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getVector2() |
The elements of the three-element vector component of a
noncrystallographic symmetry operation.
|
FloatColumn |
DatabasePDBTvect.getVector3() |
The elements of the PDB TVECT vector.
|
FloatColumn |
PdbxStructLegacyOperList.getVector3() |
The elements of the three-element vector component of the
transformation operation.
|
FloatColumn |
PdbxStructOperList.getVector3() |
The elements of the three-element vector component of the
transformation operation.
|
FloatColumn |
PdbxStructOperListDepositorInfo.getVector3() |
The elements of the three-element vector component of the
transformation operation.
|
FloatColumn |
StructNcsOper.getVector3() |
The elements of the three-element vector component of a
noncrystallographic symmetry operation.
|
FloatColumn |
PdbxSerialCrystallographySampleDeliveryFixedTarget.getVelocityHorizontal() |
Velocity of sample horizontally relative to a perpendicular beam in millimetres/second
|
FloatColumn |
PdbxSerialCrystallographySampleDeliveryFixedTarget.getVelocityVertical() |
Velocity of sample vertically relative to a perpendicular beam in millimetres/second
|
FloatColumn |
DiffrnSource.getVoltage() |
The voltage in kilovolts at which the radiation source was
operated.
|
FloatColumn |
Cell.getVolume() |
Cell volume V in angstroms cubed.
|
FloatColumn |
PdbxDataProcessingCell.getVolume() |
Unit cell volume.
|
FloatColumn |
PdbxExptlCrystalGrowSol.getVolume() |
The volume of the solution.
|
FloatColumn |
PdbxStereochemistry.getVolume3() |
Chiral volume in degrees.
|
FloatColumn |
Cell.getVolumeEsd() |
The standard uncertainty (estimated standard deviation)
of _cell.volume.
|
FloatColumn |
PdbxEntitySrcGenChrom.getVolumePooledFractions() |
The total volume of all the fractions pooled to give the purified protein
solution.
|
FloatColumn |
ChemCompChir.getVolumeThree() |
The chiral volume, V~c~, for chiral centres that involve a chiral
atom bonded to three non-hydrogen atoms and one hydrogen atom.
|
FloatColumn |
ChemLinkChir.getVolumeThree() |
The chiral volume, V(c), for chiral centres that involve a chiral
atom bonded to three non-hydrogen atoms and one hydrogen atom.
|
FloatColumn |
ChemCompChir.getVolumeThreeEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_comp_chir.volume_three.
|
FloatColumn |
ChemLinkChir.getVolumeThreeEsd() |
The standard uncertainty (estimated standard deviation)
of _chem_link_chir.volume_three.
|
FloatColumn |
CellMeasurement.getWavelength() |
The wavelength in angstroms of the radiation used to measure
the unit cell.
|
FloatColumn |
DiffrnRadiationWavelength.getWavelength() |
The radiation wavelength in angstroms.
|
FloatColumn |
DiffrnRefln.getWavelength() |
The mean wavelength in angstroms of the radiation used to measure
the intensity of this reflection.
|
FloatColumn |
PdbxDataProcessingDetector.getWavelength() |
The wavelength of data collection.
|
FloatColumn |
PdbxDccDensity.getWavelength() |
The wavelength reported from the model file.
|
FloatColumn |
PhasingMADSet.getWavelength() |
The wavelength at which this data set was measured.
|
FloatColumn |
Refln.getWavelength() |
The mean wavelength in angstroms of radiation used to measure
this reflection.
|
FloatColumn |
PhasingMADRatio.getWavelength1() |
This data item is a pointer to _phasing_MAD_set.wavelength in
the PHASING_MAD_SET category.
|
FloatColumn |
PhasingMADRatio.getWavelength2() |
This data item is a pointer to _phasing_MAD_set.wavelength in
the PHASING_MAD_SET category.
|
FloatColumn |
ChemicalFormula.getWeight() |
Formula mass in daltons.
|
FloatColumn |
IhmGaussianObjEnsemble.getWeight() |
The weight of the gaussian object.
|
FloatColumn |
IhmGaussianObjSite.getWeight() |
The weight of the gaussian object.
|
FloatColumn |
PdbxRefineLsRestrNcs.getWeight() |
The value of the weighting coefficient used in
non-crystalographic restaint in the domain
specified by _pdbx_refine_ls_restr_ncs.dom_id
to equivalent atomic positions in the domains
against which it was restrained.
|
FloatColumn |
RefineFunctMinimized.getWeight() |
The weight applied to this term of the function that was
minimized during the refinement.
|
FloatColumn |
RefineLsRestr.getWeight() |
The weighting value applied to this type of restraint in
the least-squares refinement.
|
FloatColumn |
RefineLsRestrNcs.getWeightBIso() |
The value of the weighting coefficient used in
noncrystallographic symmetry restraint of isotropic displacement
parameters in the domain specified by
_refine_ls_restr_ncs.dom_id to equivalent isotropic
displacement parameters in the domains against
which it was restrained.
|
FloatColumn |
PdbxDccRsccMapman.getWeightedRealSpaceR() |
The weighted Real Space Rfactor (RSR/RSCC) for the residue.
|
FloatColumn |
PdbxDccMap.getWeightedRSR() |
The weighted Real Space Rfactor (defined as RSR/RSCC) for the residue.
|
FloatColumn |
PdbxDccMap.getWeightedRSRZ() |
Zscore of weighted Real Space Rfactor for the residue.
|
FloatColumn |
ChemicalFormula.getWeightMeas() |
Formula mass in daltons measured by a non-diffraction experiment.
|
FloatColumn |
RefineLsRestrNcs.getWeightPosition() |
The value of the weighting coefficient used in
noncrystallographic symmetry restraint of atom positions in the
domain specified by _refine_ls_restr_ncs.dom_id to equivalent
atom positions in the domains against which it was restrained.
|
FloatColumn |
RefineLsClass.getWRFactorAll() |
For each reflection class, the weighted residual factor for all
reflections included in the refinement.
|
FloatColumn |
RefineLsShell.getWRFactorAll() |
Weighted residual factor wR for reflections that satisfy the
resolution limits established by _refine_ls_shell.d_res_high
and _refine_ls_shell.d_res_low.
|
FloatColumn |
ReflnsClass.getWRFactorAll() |
For each reflection class, the weighted residual factors for all
reflections included in the refinement.
|
FloatColumn |
RefineLsShell.getWRFactorObs() |
Weighted residual factor wR for reflections that satisfy the
resolution limits established by _refine_ls_shell.d_res_high
and _refine_ls_shell.d_res_low and the observation criterion
established by _reflns.observed_criterion.
|
FloatColumn |
RefineLsShell.getWRFactorRFree() |
Weighted residual factor wR for reflections that satisfy the
resolution limits established by _refine_ls_shell.d_res_high
and _refine_ls_shell.d_res_low and the observation limit
established by _reflns.observed_criterion, and that were used
as the test reflections (i.e.
|
FloatColumn |
RefineLsShell.getWRFactorRWork() |
Weighted residual factor wR for reflections that satisfy the
resolution limits established by _refine_ls_shell.d_res_high
and _refine_ls_shell.d_res_low and the observation limit
established by _reflns.observed_criterion, and that were used
as the working reflections (i.e.
|
FloatColumn |
PdbxDccMap.getWRSRMainChain() |
The weighted Real Space Rfactor (RSR/RSCC) for the main chain atoms.
|
FloatColumn |
PdbxDccMap.getWRSRPhosphateGroup() |
The weighted Real Space Rfactor (RSR/RSCC) for the phosphate atoms.
|
FloatColumn |
PdbxDccMap.getWRSRSideChain() |
The weighted Real Space Rfactor (RSR/RSCC) for the side chain atoms.
|
FloatColumn |
PdbxDccMap.getWRSRZMainChain() |
Zscore of weighted Real Space Rfactor (RSR/RSCC) for the main chain atoms.
|
FloatColumn |
PdbxDccMap.getWRSRZPhosphateGroup() |
Zscore of weighted Real Space Rfactor (RSR/RSCC) for the phosphate atoms.
|
FloatColumn |
PdbxDccMap.getWRSRZSideChain() |
Zscore of weighted Real Space Rfactor (RSR/RSCC) for the side chain atoms.
|
FloatColumn |
DiffrnRadiationWavelength.getWt() |
The relative weight of a wavelength identified by the code
_diffrn_radiation_wavelength.id in the list of wavelengths.
|
FloatColumn |
PdbxCrystalAlignment.getXbeam() |
Distance (mm) from the edge of data to beam spot (in X direction).
|
FloatColumn |
PdbxCrystalAlignment.getXbeamEsd() |
The estimated deviation of xbeam (mm).
|
FloatColumn |
IhmGeometricObjectCenter.getXcoord() |
The x-coordinate of the center.
|
FloatColumn |
NdbStructNaBasePairStep.getXDisplacement() |
The value of the base pair step X displacement parameter.
|
FloatColumn |
PdbxSerialCrystallographyMeasurement.getXfelPulseRepetitionRate() |
For FEL experiments, the pulse repetition rate measured in cycles per seconds.
|
FloatColumn |
PdbxCrystalAlignment.getYbeam() |
Distance from (mm) the edge of data to beam spot (in Y direction).
|
FloatColumn |
PdbxCrystalAlignment.getYbeamEsd() |
The estimated deviation of ybeam (mm).
|
FloatColumn |
IhmGeometricObjectCenter.getYcoord() |
The y-coordinate of the center.
|
FloatColumn |
NdbStructNaBasePairStep.getYDisplacement() |
The value of the base pair step Y displacement parameter.
|
FloatColumn |
PdbxEntitySrcGenChrom.getYieldPooledFractions() |
The yield in milligrams of protein recovered in the pooled fractions.
|
FloatColumn |
PdbxDccDensity.getZ_score() |
Z-scores are computed (by Xtriage) on the basis of a Bernoulli
model assuming independence of weak reflections with respect to
anisotropy.
|
FloatColumn |
IhmGeometricObjectCenter.getZcoord() |
The z-coordinate of the center.
|
FloatColumn |
StructMonNucl.getZeta() |
The value in degrees of the backbone torsion angle zeta
(C3'-O3'-P-O5').
|
FloatColumn |
PdbxDccDensity.getZScoreLTest() |
Multivariate Z score for the L-test calculated by Xtriage using
acentric reflections.
|
FloatColumn |
PdbxPhasingMR.getZscoreRotation() |
It is computed by comparing the LLG values from the rotation
search with LLG values for a set of random rotations.
|
FloatColumn |
PdbxPhasingMR.getZscoreTranslation() |
It is computed by comparing the LLG values from the translation
search with LLG values for a set of random translations.
|