Note

You are reading the documentation related to the development version. Go here if you are looking for the documentation of the last release.

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