cldetectSettings: Example settings for MeHaloCoA Cl or Br detection in peaks

In yguitton/MeHaloCoA: Fast identification of Cl or Br containing compounds in LC-MS

Description

example settings needed for function cldetect, theses settings are mainly parameters for detection of typical isotopic profile and mass defect of Cl or Br

Usage

data(cldetectSettings)

Format

The format is a
List of 12 $ outdir : chr ""
$ plotps : logi TRUE
$ deprof : logi FALSE
$ Thresh : num 30
$ m1 : num 1
$ m2 : num 2
$ mdiff : num 0.05
$ ppmerr : num 50
$ val : chr "maxo"
$ mdiff2 : num 0.001
$ myfile2 : chr "halo_file_short.csv"

See Also

cldetect

Examples

#load parameters
data(cldetectSettings)
#see all parameters
cldetectSettings

#if you want to change a parameter
cldetectSettings$Thresh<-90 #for Bromine


#if you want to create a complete list of parameters for Br
myparam<-list(outdir="",
				ppmerr=15,
				Thresh=90,
				m2=1.998,
				val="maxo",
				myfile2="Bromine_list.csv")

yguitton/MeHaloCoA documentation built on May 3, 2019, 4:30 p.m.