comparison createDatabase.R @ 4:e96c518a3f06 draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 75d13d0237560528a1c6596a3ea5e327bed3e3a0

3:0a3e6c28f1ab

  xset@peaks <- as.matrix(plyr::ddply(data.frame(xset@peaks), ~ sample, convert2Raw, xset=xset))

  # Saves the EICS into the previously created database
  px <- msPurity::purityX(xset, saveEIC = TRUE,
                           cores=1, sqlitePth=db_pth,
                           rtrawColumns = TRUE)

}

closeAllConnections()

4:e96c518a3f06

  xset@peaks <- as.matrix(plyr::ddply(data.frame(xset@peaks), ~ sample, convert2Raw, xset=xset))

  # Saves the EICS into the previously created database
  px <- msPurity::purityX(xset, saveEIC = TRUE,
                           cores=2, sqlitePth=dbPth,
                           rtrawColumns = TRUE)

}

closeAllConnections()