Mercurial > repos > tomnl > mspurity_filterfragspectra
comparison createDatabase.R @ 5:4ee717b3b16e draft
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 14eafbdb65f491713d1314d77c454defd137c392
| author | tomnl |
|---|---|
| date | Tue, 18 Jun 2019 11:12:36 -0400 |
| parents | 43d4dd3288cd |
| children | a106845a2736 |
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| 4:43d4dd3288cd | 5:4ee717b3b16e |
|---|---|
| 154 return(x) | 154 return(x) |
| 155 | 155 |
| 156 } | 156 } |
| 157 | 157 |
| 158 xset@peaks <- as.matrix(plyr::ddply(data.frame(xset@peaks), ~ sample, convert2Raw, xset=xset)) | 158 xset@peaks <- as.matrix(plyr::ddply(data.frame(xset@peaks), ~ sample, convert2Raw, xset=xset)) |
| 159 | 159 closeAllConnections() |
| 160 # Saves the EICS into the previously created database | 160 # Saves the EICS into the previously created database |
| 161 px <- msPurity::purityX(xset, saveEIC = TRUE, | 161 px <- msPurity::purityX(xset, saveEIC = TRUE, |
| 162 cores=2, sqlitePth=dbPth, | 162 cores=1, sqlitePth=dbPth, |
| 163 rtrawColumns = TRUE) | 163 rtrawColumns = TRUE) |
| 164 | 164 |
| 165 } | 165 } |
| 166 | 166 |
| 167 closeAllConnections() | 167 closeAllConnections() |