In meowcat/MassInSpectoR: Tools for MS2 analysis

knitr::opts_chunk$set(echo = TRUE)

R Markdown

Loading a MassBank library in table form:

# 
# db.fi <- list.files("C:/Daten/Support/Jen - uncleaned spectra/tables", "_pos.csv", full.names = TRUE)
# db.tot <- lapply(db.fi, read.csv)
# db <- do.call(rbind, db.tot)
# rm(db.tot)

Settings example:

settings <- list()
settings$GenForm.path <- "C:/Software/GenForm/GenForm.exe"
settings$CFMID.path <- "C:/Software/cfm-id-2.0_win32/cfm-predict.exe"
settings$CFMID.settings <- "0.001 C:/Software/cfm-id-2.0_win32/param_output.log C:/Software/cfm-id-2.0_win32/param_config.txt 1"

options("MassInSpectoR" = settings)