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Data Model

Notes and information about the data model packages

New Implementation package draft.

A proposal for the new Implementation package, with reasons and explanations. IMPLEMENTED as variant. Rasmus Fogh 2007

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Molecule Labeling package

Proposal for a new LabelledMolecule package to handle isotope labeled molecules. Implemented RAsmus Fogh 2007

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Subpeak Handling

Model change to handle projection experiments, subpeaks, etc. IMPLEMENTED Rasmus Fogh 2007

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Trajectory package

Draft of data model package for dynamics trajectories and/or compact storage of ensembles. IMPLEMENTED Rasmus Fogh 2011

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NmrCalc July 2011

Use of NmrCalc in integration, data selection and merging issues, upcoming model changes.

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