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Fast and efficient theoretical isotopic profile generation

Project description

A Python Implementation of the Baffling Recursive Algorithm for Isotopic cluster distributioN.

This package is an implementation of the algorithm originally described in P. Dittwald, J. Claesen, T. Burzykowski, D. Valkenborg, and A. Gambin, "BRAIN: a universal tool for high-throughput calculations of the isotopic distribution for mass spectrometry.", Anal. Chem., vol. 85, no. 4, pp. 1991–4, Feb. 2013.

H. Hu, P. Dittwald, J. Zaia, and D. Valkenborg,
"Comment on 'Computation of isotopic peak center-mass distribution by fourier transform'.",
Anal. Chem., vol. 85, no. 24, pp. 12189–92, Dec. 2013.

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