Data Types:
Type
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Description
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ParamType
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Parameter Type. Used to determine which NmrCalc class is used to store the relevant parameter, and how. Where it does not give rise to ambiguity, the ParamType string is the same as the role name used in NmrCalc. As below (className, than ParamType values)
NBNB TBD update types.
## Simple data NmrCalc types
#RunParameter
textValue
intValue
floatValue
booleanValue
#MatrixData
floatMatrix
intMatrix
#TensorData
orientationMatrix
## Object data NmrCalc types, following standard naming scheme
#DerivedListData
derivedDataList
#MeasurementListData
measurementList
#SpectrumData
dataSource
#PeakListData
peakList
#SpinSystemData
resonanceGroup
#ExternalData
dataStore
#ViolationListData
violationList
#ConstraintStoreData
constraintStore
constraintLists
#StructureEnsembleData
structureEnsemble
structureModels
## Special cases - ParamType values do not match NmrCalc attribute names
#MolResidueData
molResChain
molResChains
molResidues
#MolSystemData
molSystem
molSysChains
symMolSystem # Same as molSystem, but symmertrySet is also set
symMolSystemChains # Same as molSystem, but symmertrySet is also set
## NmrCalc.Energyterm is not implemented
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