Decomposition of Isotopic Patterns

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Documentation for package ‘Rdisop’ version 1.69.2

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

Help Pages

.getElement	Initialize (a subset of) elements of the periodic system of elements (PSE)
addMolecules	Add/subtract sum formulas
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
getMonoisotopic	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)
isotopes	isotope information.
isotopeScore	Mass Decomposition of Isotope Patterns
mono_masses	Monoisotopic mass information..
subMolecules	Add/subtract sum formulas