Mercurial > repos > lecorguille > ipo
annotate ipo4retgroup.r @ 10:57f180a8eaae draft default tip
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
| author | workflow4metabolomics |
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| date | Mon, 11 Sep 2023 22:36:51 +0000 |
| parents | 364756ea5f42 |
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| rev | line source |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
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1 #!/usr/bin/env Rscript |
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10
57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
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2 # Authors Gildas Le Corguille and Yann Guitton |
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planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
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3 |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
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5 # ----- PACKAGE ----- |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
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6 cat("\tSESSION INFO\n") |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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7 |
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10
57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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8 # Import the different functions |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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9 source_local <- function(fname) { |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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10 argv <- commandArgs(trailingOnly = FALSE) |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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11 base_dir <- dirname(substring(argv[grep("--file=", argv)], 8)) |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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12 source(paste(base_dir, fname, sep = "/")) |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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13 } |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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14 source_local("lib.r") |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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15 |
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10
57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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16 pkgs <- c("IPO", "batch") |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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17 loadAndDisplayPackages(pkgs) |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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18 cat("\n\n") |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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19 # ----- ARGUMENTS ----- |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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20 cat("\tARGUMENTS INFO\n") |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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21 args <- parseCommandArgs(evaluate = FALSE) # interpretation of arguments given in command line as an R list of objects |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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22 write.table(as.matrix(args), col.names = FALSE, quote = FALSE, sep = "\t") |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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23 |
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10
57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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24 cat("\n\n") |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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25 # ----- PROCESSING INFILE ----- |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
diff
changeset
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26 cat("\tARGUMENTS PROCESSING INFO\n") |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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27 |
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10
57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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28 samplebyclass <- 2 |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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diff
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29 if (!is.null(args$samplebyclass)) { |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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diff
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30 samplebyclass <- args$samplebyclass |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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diff
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31 args$samplebyclass <- NULL |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
diff
changeset
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32 } |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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33 |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
diff
changeset
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34 cat("\n\n") |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
diff
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35 |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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36 # ----- INFILE PROCESSING ----- |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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37 cat("\tINFILE PROCESSING INFO\n") |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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38 options(bitmapType = "cairo") |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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39 |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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40 # image is an .RData file necessary to use xset variable given by previous tools |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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41 load(args$image) |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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diff
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42 args$image <- NULL |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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43 |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
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44 # Because so far CAMERA isn't compatible with the new XCMSnExp object |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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diff
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45 if (exists("xdata")) { |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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46 xset <- getxcmsSetObject(xdata) |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
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47 } |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
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parents:
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48 |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
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49 if (!exists("xset")) stop("\n\nERROR: The RData doesn't contain any object called 'xdata' which is provided by the tool: MSnbase readMSData") |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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50 |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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51 |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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52 # Handle infiles |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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53 if (!exists("singlefile")) singlefile <- NULL |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
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54 rawFilePath <- getRawfilePathFromArguments(singlefile, NULL, args) |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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55 singlefile <- rawFilePath$singlefile |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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56 print(singlefile) |
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57f180a8eaae
planemo upload for repository https://github.com/rietho/IPO commit d25c744220e416cce158161fa7dc3b0f153a5c11
workflow4metabolomics
parents:
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57 directory <- retrieveRawfileInWD(singlefile, NULL) |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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58 |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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59 |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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60 cat("\n\n") |
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
workflow4metabolomics
parents:
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planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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63 # ----- MAIN PROCESSING INFO ----- |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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64 cat("\tMAIN PROCESSING INFO\n") |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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364756ea5f42
"planemo upload for repository https://github.com/rietho/IPO commit 5083f3b5800bdd8515519f2f6398046b41e1df97"
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66 ipo4retgroup(xset, directory, "IPO_parameters4xcmsSet.tsv", args, samplebyclass) |
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planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
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67 |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
diff
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68 cat("\n\n") |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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69 |
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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03fdfbd914ab
planemo upload commit 8dfb0b11442ccce78165b5d8f07555ccbd303cce
lecorguille
parents:
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71 cat("\tDONE\n") |
