enviPat: subform – R documentation

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subform

Subtract one chemical formula from another

Description

Subtract one chemical formula from another

Usage

subform(formula1,formula2)

Arguments

`formula1`	Chemical formula to subtract from
`formula2`	Chemical formula to subtract

Details

Useful for adduct calculations, check adducts. Chemical formulas must conform to what is described in check_chemform. Prior check if formula2 is contained in formula2 at all? See check_ded.

Value

A unified and filtered peaklist

Author(s)

Martin Loos

Examples

formula1<-c("C10[13]C2H10Cl10")
formula2<-c("C2H5[13]C1")
subform(formula1,formula2)

enviPat

Isotope Pattern, Profile and Centroid Calculation for Mass Spectrometry

v2.4

GPL-2

Authors

Martin Loos, Christian Gerber

Initial release

2019-03-18