getformula {enviGCMS} R Documentation

## Get chemical formula for mass to charge ratio.

### Description

Get chemical formula for mass to charge ratio.

### Usage

getformula(
mz,
charge = 0,
window = 0.001,
elements = list(C = c(1, 50), H = c(1, 50), N = c(0, 50), O = c(0, 50), P = c(0, 1),
S = c(0, 1))
)


### Arguments

 mz a vector with mass to charge ratio charge The charge value of the formula, default 0 for autodetect window The window accuracy in the same units as mass elements Elements list to take into account.

### Value

list with chemical formula

[Package enviGCMS version 0.6.6 Index]