findIsotopesPspec: Find isotopes in psuedo spectra

Description Usage Arguments Value

View source: R/findIsotopesPspec.R

Description

Find isotopes in psuedo spectra

Usage

1
2
3
4
5
6
7
8
9
findIsotopesPspec(
  isomatrix,
  dat,
  ppmtol = 15,
  maxiso = 4,
  maxcharge = 2,
  mzabs = 0.005,
  minfrac = 0.5
)

Arguments

isomatrix

the isomatrix

dat

the data frame

ppmtol

the ppm tolerance

maxiso

max # isotopologues

maxcharge

max allowable charge

mzabs

max mz deviation in the search

minfrac

min sample fraction (not used)

Value

matrix


scottwalmsley/wSIMCity documentation built on May 3, 2021, 2:35 p.m.