Aston 0.7.0

Aston

Aston is a cross-platform, open source library for the analysis of chromatographic data. It’s named for Francis William Aston, creator of the first fully functional mass spectrometer, and written using Python, Numpy, and Scipy. A graphical front-end is also available at https://github.com/bovee/AstonQt.

Installation

Although Aston still supports Python 2, I recommend using it with Python 3. Before you can use Aston, you must install Numpy and Scipy. Because these two packages contain C and Fortran code, installing via pip may be difficult (if you take this route, install them separately – pip install numpy then pip install scipy) so I recommend installing them with your operating systems native facilities:

Arch: sudo pacman -Syu python-numpy python-scipy Ubuntu/Debian: sudo apt-get install python3-numpy python3-scipy Mac OS X: brew install numpy and brew install scipy ( you will need Homebrew for this: http://brew.sh/ ) Windows: graphical Anaconda installer @ https://www.continuum.io/downloads

Once these are installed, you can check that everything works by installing tox with pip install tox and then running the test suite with tox.

Usage

`python from aston.tracefile import TraceFile c = TraceFile('./test.cdf') `