Installation

🐍 chromatopy

chromatopy can be installed using pip:

pip install chromatopy # 🚧 not released yet

or from source:

pip install git+https://github.com/FAIRChemistry/chromatopy.git

If you are within a Jupyter Notebook, you can install the package by executing the following cell:

!pip install chromatopy

🖥️ OpenChrome (from Lablicate)

Info

OpenChrome is an open source software for chromatography, spectrometry and spectroscopy. Its focus is on handling data files from various instruments natively. Hence, chromatographic data, generated by GC/MS, GC/FID, HPLC-DAD and other techniques, may be imported directly, without prior conversion, for subsequent visualization and evaluation.
Furthermore, OpenChrom is able to export analyzed data to the JSON-based and vendor-independent, Allotrope Simple Model (ASM) format. This format allows subsequent data processing with chromatopy in Python.

Download OpenChrom

Download the latest version of OpenChrom from the official website.

Install plug-ins

For reading in data from various vendors, OpenChrom provides a set of plug-ins. For installation, navigate to Plug-ins > Install Converters in the main menu. Then, type the name of the vendor (e.g., Agilent, Waters, Shimadzu) in the search bar and install the corresponding import plug-ins.
For later file export, search for asm and install the export plug-in.