# Decomposition of Isotopic Patterns

## Documentation for package ‘Rdisop’ version 1.52.0

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

## Help Pages

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
subMolecules | Add/subtract sum formulae