Class
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Description
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AtomLabel
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Atom label indicators.
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LabeledMixture
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Mixture of labeled species.
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LabeledMolecule
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Molecule whose labeling is presented.
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MolLabel
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Molecule labeling pattern
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MolLabelFraction
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Describes the relative abundance of a given MolLabel in a given LabeledMixture (association class).
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ResLabel
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Residue labeling pattern. If there are any SingleAtomLabels for a given atom, these uniquely determine the isotope composition. Failing that, if there are any UniformLabels for a given atom, these uniquely determine the isotope composition. Failing that the composition is determined by the ResLabelFractions.
Note that AtomLabels effectively specify the isotope composition one position at a time. Any correlations between the labeling patterns of two (or more) Atoms can only be specified with the ResLabelFractions.
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ResLabelFraction
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Fraction of Residue labeling that follows a given labeling scheme
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SingleAtomLabel
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Atom label referring to a single atom. Overrides any UniformAtomLabel and ResLabelFraction records present for the same residue ID(s)
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UniformAtomLabel
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Atom label description valid for all atoms of a given element in a given residue, except those attached to any SingleAtomLabel object.
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