Create a project dataList

Wrapper for a clunky workflow

Usage

projectFromFiles(
  ms1_path,
  ms2_path,
  annot_path = NULL,
  siriusFileColumnName = c("NPC class"),
  parameterSet = NULL
)

Arguments

ms1_path

file for MS1 intensity .txt file

ms2_path

file for MS2 .msp file

annot_path

file for annotations (.csv or .tsv)

siriusFileColumnName

One of "NPC class", "NPC superclass", "NPC pathway", "ClassyFire subclass", "ClassyFire class", "ClassyFire superclass"

parameterSet

list of parameters to use

Value

dataList