comparison createDatabase.R @ 10:1ce857d74106 draft

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit b6b8da66a6eef180ca8e333f98fc4b7575bac7b3

9:c874652f3029

    return(x)

  }

  xset@peaks <- as.matrix(plyr::ddply(data.frame(xset@peaks), ~ sample, convert2Raw, xset=xset))
  
  # Saves the EICS into the previously created database
  xgroups <-  as.numeric(as.character(unique(pa@grped_df$grpid)))
  px <- msPurity::purityX(xset, 
                          saveEIC = TRUE,
                          cores=1,
                          sqlitePth=dbPth,
                          rtrawColumns = TRUE, 
                          xgroups = xgroups)

}

closeAllConnections()

10:1ce857d74106

    return(x)

  }

  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=dbPth,
                          rtrawColumns = TRUE)

}

closeAllConnections()