Implement `NumpyData` class to allow easy computations

RECETOX / RIAssigner

RIAssigner is a python tool for retention index (RI) computation for GC-MS data.

MIT License

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Implement `NumpyData` class to allow easy computations #81

Closed hechth closed 2 years ago

hechth commented 2 years ago

Currently, computing the RI for specific values is complicated as all data is file based - this could be improved by providing a NumpyData or SimpleData class that simply takes the rt and ri values and provides the required interface.