RECETOX / RIAssigner

RIAssigner is a python tool for retention index (RI) computation for GC-MS data.
MIT License
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Implemented `SimpleData` class to provide simple computations #82

Closed hechth closed 2 years ago

hechth commented 2 years ago

With the current data inputs, only reading data from files is possible, not really allowing using the tool efficiently as an API. With the SimpleData class, normal numpy arrays or any form of numeric lists can be supplied to be able to perform computations on data that is already in memory.

Closes #81