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| 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. |