Data structures

The NDDataset is the main object used by SpectroChemPy .

Like numpy ndarrays, NDDataset have the capability to be sliced, sorted and subjected to mathematical operations.

But, in addition, NDDataset may have units, can be masked and each dimension can have coordinates (Coord) also with units. This make NDDataset aware of unit compatibility, e.g.,, for binary operation such as additions or subtraction or during the application of mathematical operations.

In addition or in replacement of numerical data for coordinates, NDDataset can also have labeled coordinates where labels can be different kinds of objects (strings, datetime, numpy nd.ndarray or other NDDatasets, etc.).

This offers a lot of flexibility in using NDDatasets that, we hope, will be useful for the users.

Todo

SpectroChemPy (will soon) provides another kind of data structure, aggregating several datasets: NDPanel. [Under construction]

Finally, Project is a structure that allows aggregating NDDatasets, NDPanels and processing scripts (Script) for a better management of complex set of spectroscopic data.

NDDataset

Project

Script

Todo

To be documented