Mercurial > repos > mmonsoor > probmetab
comparison lib.r @ 8:66fe5a2237f3 draft
planemo upload commit c897279aa8cae0a4ad889bb05b143f32d2b6d712
author | lecorguille |
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date | Fri, 07 Apr 2017 06:55:52 -0400 |
parents | a1b528cba999 |
children | fe21deb6b625 |
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7:cbf292c32002 | 8:66fe5a2237f3 |
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48 # load(listArguments[["xsetNnofill"]]) | 48 # load(listArguments[["xsetNnofill"]]) |
49 # xsetNnofill=xset | 49 # xsetNnofill=xset |
50 #} | 50 #} |
51 # include CAMERA non-annotated compounds, and snr retrieval | 51 # include CAMERA non-annotated compounds, and snr retrieval |
52 # comb 2+ - used on Table 1 | 52 # comb 2+ - used on Table 1 |
53 ionAnnotP2plus = get.annot(axP, allowMiss=listArguments[["allowMiss"]], xset=xsetPnofill,toexclude=listArguments[["toexclude"]]) | 53 ionAnnotP2plus = get.annot(xaP, allowMiss=listArguments[["allowMiss"]], xset=xsetPnofill,toexclude=listArguments[["toexclude"]]) |
54 ionAnnotN2plus = get.annot(axN, polarity="negative", allowMiss=listArguments[["allowMiss"]], xset=xsetNnofill,toexclude=listArguments[["toexclude"]]) | 54 ionAnnotN2plus = get.annot(xaN, polarity="negative", allowMiss=listArguments[["allowMiss"]], xset=xsetNnofill,toexclude=listArguments[["toexclude"]]) |
55 ionAnnot = combineMolIon(ionAnnotP2plus, ionAnnotN2plus) | 55 ionAnnot = combineMolIon(ionAnnotP2plus, ionAnnotN2plus) |
56 print(sum(ionAnnot$molIon[,3]==1)) | 56 print(sum(ionAnnot$molIon[,3]==1)) |
57 print(sum(ionAnnot$molIon[,3]==0)) | 57 print(sum(ionAnnot$molIon[,3]==0)) |
58 write.table(ionAnnot[1], sep="\t", quote=FALSE, row.names=FALSE, file="CombineMolIon.tsv") | 58 write.table(ionAnnot[1], sep="\t", quote=FALSE, row.names=FALSE, file="CombineMolIon.tsv") |
59 #Merge variableMetadata Negative and positive acquisitions mode | 59 #Merge variableMetadata Negative and positive acquisitions mode |