Class
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Description
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AtomSite
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An Atom site on the graph of atoms through which magnetisation passes in an experiment. If there is more than one ExpGraph, each AtomSite may be relevant for one or more of these. The AtomSite may be given even if it is never a carrier of magnetisation, for instance to show that coupling to a given nucleus is used for filtering during an experiment.
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ExpGraph
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Set of Connected AtomSites, ExpTransfers, ExpSteps and ExpMeasurements that define the allowed magnetisation transfer paths and observables for an NMR experiment. Each ExpGraph, its ExpSteps and ExpTransfers, and the ExpMeasurements and AtomSites these are connected to, effectively define a self-contained NMR experiment. There may be several ExpGraphs that share some, but not all, AtomSites and ExpMeasurementsl, e.g. if you acquire CH and NH 2D HSQC experiments together, or if you have diferent molecule topologies giving rise to peaks of different sign.
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ExpMeasurement
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Property being measured on a dimension of a multidimensional NMR experiment. Most common are shifts, but coupling constants, multi-quantum magnetisation, time (for relaxation time measurements) and others are possible.
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ExpStep
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Defines the order in which Measurements are encountered within a (non-reversed) experiment, and, implicitly, which ExpMeasurements are involved in a given ExpGraph. The same measurement can appear several times, e.g. for out-and-back experiments.
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ExpTransfer
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Magnetisation transfer between two AtomSites. The transfer does not say anything about direction, merely that e.g. an H and a C are connected by a one-bond coupling.
The ExpTransferPaths and the AtomSites they select describe the network of nuclei that must be present in order to get observable peaks from a ginve ExpGraph.
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NmrExpPrototype
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Description of a reference NMR experiment as defined by its magnetisation transfer pathway. E.g. a 4D HCCH, 3D (H)CCH or HC(C)H, 2D H(C)(C)H and 2D (reduced dimensionality) HC(C)H are seen as the same experiment
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RefExpDim
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Dimension of reference exeriment.
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RefExpDimRef
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ExpDimRef for prototype experiment. Maps ExpDimRef on ExpStep, from which the information necessary for creating ExpDimRef can be found.
If there is more than one ExpGraph in the NmrExpPrototype, in general each RefExpDim will have an equivalent set of RefExpDimRef for every ExpGraph. Where this is not the case it may be assumed that the 'missing' RefExpDimRefs are 1) identical in content to those present and 2) correspond to the same ExpStep as those given. This convention is used to avoid having several identical RefExpDimRefs just because there are several ExpGraphs.
Note that the serial attribute is used to match Nmr.ExpDimRefs to RefExpDimRefs, so that objects with the same serial correspond to each other.
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RefExperiment
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Reference Experiment. Selects experiment dimensions from the steps available in the NmrExpPrototype
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SystematicName
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Systematic name for RefExperiment
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