Processing, analysing and modelling spectroscopic data

SpectroChemPy is a framework for processing, analyzing and modeling Spectroscopic data for Chemistry with Python. It is a cross platform software, running on Linux, Windows or OS X.

Among its major features:

  1. Import data from experiments or modeling programs with their metatdata (title, units, coordinates, …)

  2. Preprocess these data: baseline correction, (automatic) subtraction, smoothing, apodization…

  3. Manipulate single or multiple datasets: concatenation, splitting, alignment along given dimensions, …

  4. Explore data with exploratory analyses methods such as SVD, PCA, EFA and visualization capabilities …

  5. Modelling single or multiple datasets with curve fitting / curve modelling (MCR-ALS) methods…

  6. Export data and analyses to various formats: csv, xls, JCAMP-DX, …

  7. Embed the complete workflow from raw data import to final analyses in a Project Manager

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Warning

SpectroChemPy is still experimental and under active development. Its current design is subject to major changes, reorganizations, bugs and crashes!!! Please report any issues to the Issue Tracker