Baffling Recursive Algorithm for Isotope distributioN calculations

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Documentation for package ‘BRAIN’ version 1.53.0

• DESCRIPTION file.
• User guides, package vignettes and other documentation.

Help Pages

BRAIN-package	Implementation of BRAIN (Baffling Recursive Algorithm for Isotope distributioN calculations)
BRAIN	Implementation of BRAIN (Baffling Recursive Algorithm for Isotope distributioN calculations)
calculateAverageMass	Function computing theoretical average masses.
calculateIsotopicProbabilities	Function computing probabilities of aggregated isotopic variants using BRAIN algorithm.
calculateMonoisotopicMass	Function computing theoretical monoisotopic masses.
calculateNrPeaks	Function computing heuristically the required number of consecutive aggregated isotopic variants.
getAtomsFromSeq	Function computing an atomic composition from amono acid sequence.
useBRAIN	Function computing probabilities of aggregated isotopic variants and their center-masses using BRAIN algorithm.
useBRAIN2	Function computing probabilities of aggregated isotopic variants using heuristics.