getTopIsotope: getTopIsotope

In mjhelf/MassTools: R package for mass and molecular formula calculations

Description

get the mass of the most abundant isotope for a molecular formula

Usage

getTopIsotope(x, ...)

Arguments

x	molecular formula as a character() or MFobject
...	additional arguments to getMolecule

Details

Warning: if mixing positive and negative values in one molecular formula, this may not give the correct result Warning: Default settings will not work correctly for very large molecules (specify maxisotopes to a value >200 if you expect the largest isotope peak (by intensity) to be beyond the 200th smallest isotope peaks by mz)

mjhelf/MassTools documentation built on Nov. 19, 2021, 2:38 a.m.