Decomposition of Isotopic Patterns


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Documentation for package ‘Rdisop’ version 1.12.0

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addMolecules Add/subtract sum formulae
decomposeIsotopes Mass Decomposition of Isotope Patterns
decomposeMass Mass Decomposition of Isotope Patterns
getFormula Calculate mass and isotope information for a molecule given as sum formula
getIsotope Calculate mass and isotope information for a molecule given as sum formula
getMass Calculate mass and isotope information for a molecule given as sum formula
getMolecule Calculate mass and isotope information for a molecule given as sum formula
getScore Calculate mass and isotope information for a molecule given as sum formula
getValid Calculate mass and isotope information for a molecule given as sum formula
initializeCharges Initialize (a subset of) elements of the periodic system of elements (PSE)
initializeCHNOPS Initialize (a subset of) elements of the periodic system of elements (PSE)
initializeCHNOPSMgKCaFe Initialize (a subset of) elements of the periodic system of elements (PSE)
initializeCHNOPSNaK Initialize (a subset of) elements of the periodic system of elements (PSE)
initializeElements Initialize (a subset of) elements of the periodic system of elements (PSE)
initializePSE Initialize (a subset of) elements of the periodic system of elements (PSE)
isotopeScore Mass Decomposition of Isotope Patterns
RcppVersion Rcpp Version and License Information
subMolecules Add/subtract sum formulae