This is a collection of objects and methods for analyzing, modelling and comparing spectral data. It was originally written for deconvoluting UV-Visible spectral data for semiconductor quantum dots into component Gaussians, but has been generalized for other x-y datasets.
There are three primary objects
- feature
Features generate output values from a mathematical function and a set of parameters if given output values. A collection of default functions are provided, but users can also define their own function and parameters.
- spectrum
This holds x-y data and a collection of features, as well as a set of methods for least squares refinement.
- reaction
A reaction is a container for a collection of spectra. It contains methods for extracting data and visualizing the results.
Installation:
Download and extract the archive anywhere on your system.
In a terminal enter:
python setup.py install
Alternatively add the directory you extracted the archive to you python path.