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FT-ICR MS peak assignment and data analysis

Project description

About fouriertransform

fouriertransform is a Python package for analyzing Fourier Transform Ion Cyclotron Resonance Mass Spectrometry (FT-ICR MS) data. fouriertransform is especially suited for assigning formulae raw MS peaks, categorizing formulae into compound classes according to elemental formula, and creating statistical correlations with environmental parameters.

This package was created by J.D. Hemingway, postdoctoral fellow, Harvard University.

Package Information

Authors:Jordon D. Hemingway (jordon_hemingway@harvard.edu)
Version:0.0.8
Release:25 May 2018
License:GNU GPL v3 (or greater)
url:http://github.com/FluvialSeds/fouriertransform http://pypi.python.org/pypi/fouriertransform/0.0.7
doi:doi

How to Cite

When analyzing data with fouriertransform to be used in a peer-reviewed journal, please cite this package as:

Additionally, please cite the following peer-reviewed manuscript describing the deveopment of the package and data treatment:

  • to be added

Documentation

The documentation for the latest release, including detailed package references as well as a comprehensive walkthrough for analyzing FT-ICR MS data, is available at:

http://fouriertransform.readthedocs.io/

Package features

to be added later

Future Additions

to be added later

How to Obtain

Source code can be directly downloaded from GitHub:

http://github.com/FluvialSeds/fouriertransform

Binaries can be installed through the Python package index:

$ pip install fouriertransform

License

This product is licensed under the GNU GPL license, version 3 or greater.

Bug Reports

This software is still in active deveopment. Please report any bugs directly to me at:

jordon_hemingway@harvard.edu

Project details


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