Mercurial > repos > eschen42 > mqppep_anova
annotate mqppep_anova.R @ 0:c1403d18c189 draft
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
author | eschen42 |
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date | Mon, 07 Mar 2022 19:05:01 +0000 |
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children | d4d531006735 |
rev | line source |
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0
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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1 #!/usr/bin/env Rscript |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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2 # libraries |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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3 library(optparse) |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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4 library(data.table) |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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5 library(stringr) |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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6 #library(ggplot2) |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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7 #library(PTXQC) |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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8 #require(PTXQC) |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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9 #require(methods) |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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10 # bioconductor-preprocesscore |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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11 # - libopenblas |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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12 # - r-data.table |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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13 # - r-rmarkdown |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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14 # - r-ggplot2 |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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15 # - texlive-core |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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16 |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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17 # ref for parameterizing Rmd document: https://stackoverflow.com/a/37940285 |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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18 |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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19 # parse options |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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20 option_list <- list( |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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21 # <param name="inputFilename" type="data" format="tabular" label="Phosphopeptide Intensities" help="First column label 'Phosphopeptide'; sample-intensities must begin in column 10 and must have column labels to match argument regexSampleNames"/> |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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22 make_option( |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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23 c("-i", "--inputFile"), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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24 action = "store", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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25 default = NA, |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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26 type = "character", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
eschen42
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27 help = "Phosphopeptide Intensities sparse input file path" |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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28 ), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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29 make_option( |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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30 c("-a", "--alphaFile"), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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31 action = "store", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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32 default = NA, |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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33 type = "character", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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34 help = "List of alpha cutoff values for significance testing; path to text file having one column and no header" |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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35 ), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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36 make_option( |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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37 c("-f", "--firstDataColumn"), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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38 action = "store", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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39 default = "10", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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40 type = "character", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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41 help = "First column of intensity values" |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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42 ), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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43 make_option( # imputationMethod <- c("group-median","median","mean","random")[1] |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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44 c("-m", "--imputationMethod"), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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45 action = "store", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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46 default = "group-median", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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47 type = "character", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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48 help = "Method for missing-value imputation, one of c('group-median','median','mean','random')" |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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49 ), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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50 make_option( |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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51 c("-p", "--meanPercentile"), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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52 action = "store", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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53 default = 3, |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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54 type = "integer", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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55 help = "Mean percentile for randomly generated imputed values; range [1,99]" |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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56 ), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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57 make_option( |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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58 c("-d", "--sdPercentile"), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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59 action = "store", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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60 default = 3, |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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61 type = "double", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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62 help = "Adjustment value for standard deviation of randomly generated imputed values; real" |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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63 ), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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64 make_option( |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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65 c("-s", "--regexSampleNames"), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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66 action = "store", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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67 default = "\\.(\\d+)[A-Z]$", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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68 type = "character", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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69 help = "Regular expression extracting sample-names" |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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70 ), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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71 make_option( |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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72 c("-g", "--regexSampleGrouping"), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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73 action = "store", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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74 default = "(\\d+)", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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75 type = "character", |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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76 help = "Regular expression extracting sample-group from an extracted sample-name" |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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77 ), |
c1403d18c189
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/mqppep commit bb6c941be50db4c0719efdeaa904d7cb7aa1d182"
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78 # <data name="imputed_data_file" format="tabular" label="${input_file.name}.intensities_${imputation.imputation_method}-imputed_QN_LT" ></data> |
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79 make_option( |
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80 c("-o", "--imputedDataFile"), |
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81 action = "store", |
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82 default = "output_imputed.tsv", |
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83 type = "character", |
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84 help = "Imputed Phosphopeptide Intensities output file path" |
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85 ), |
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86 # <data name="report_file" format="html" label="report (download/unzip to view)" ></data> |
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87 make_option( |
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88 c("-r", "--reportFile"), |
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89 action = "store", |
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90 default = "QuantDataProcessingScript.html", |
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91 type = "character", |
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92 help = "HTML report file path" |
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93 ) |
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94 ) |
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95 args <- parse_args(OptionParser(option_list=option_list)) |
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96 # Check parameter values |
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97 |
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98 if (! file.exists(args$inputFile)) { |
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99 stop((paste("Input file", args$inputFile, "does not exist"))) |
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100 } |
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101 inputFile <- args$inputFile |
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102 alphaFile <- args$alphaFile |
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103 firstDataColumn <- args$firstDataColumn |
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104 imputationMethod <- args$imputationMethod |
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105 meanPercentile <- args$meanPercentile |
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106 sdPercentile <- args$sdPercentile |
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107 |
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108 regexSampleNames <- gsub('^[ \t\n]*', '' , readChar(args$regexSampleNames, 1000)) |
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109 regexSampleNames <- gsub('[ \t\n]*$', '' , regexSampleNames ) |
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110 # regexSampleNames <- gsub('\\\\' , '@@', regexSampleNames ) |
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111 # regexSampleNames <- gsub('@@' , '\\', regexSampleNames ) |
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112 cat(regexSampleNames) |
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113 cat('\n') |
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114 |
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115 regexSampleGrouping <- gsub('^[ \t\n]*', '', readChar(args$regexSampleGrouping, 1000)) |
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116 regexSampleGrouping <- gsub('[ \t\n]*$', '', regexSampleGrouping ) |
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117 # regexSampleGrouping <- gsub('\\\\' , '@@', regexSampleGrouping ) |
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118 cat(regexSampleGrouping) |
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119 cat('\n') |
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120 |
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121 # regexSampleGrouping <- gsub('@@' , '\\', regexSampleGrouping ) |
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122 imputedDataFilename <- args$imputedDataFile |
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123 reportFileName <- args$reportFile |
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124 |
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125 print("args is:") |
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126 cat(str(args)) |
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127 |
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128 print("regexSampleNames is:") |
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129 cat(str(regexSampleNames)) |
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130 |
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131 print("regexSampleGrouping is:") |
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132 cat(str(regexSampleGrouping)) |
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133 |
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134 # from: https://github.com/molgenis/molgenis-pipelines/wiki/How-to-source-another_file.R-from-within-your-R-script |
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135 LocationOfThisScript = function() # Function LocationOfThisScript returns the location of this .R script (may be needed to source other files in same dir) |
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136 { |
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137 this.file = NULL |
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138 # This file may be 'sourced' |
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139 for (i in -(1:sys.nframe())) { |
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140 if (identical(sys.function(i), base::source)) this.file = (normalizePath(sys.frame(i)$ofile)) |
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141 } |
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142 |
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143 if (!is.null(this.file)) return(dirname(this.file)) |
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144 |
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145 # But it may also be called from the command line |
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146 cmd.args = commandArgs(trailingOnly = FALSE) |
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147 cmd.args.trailing = commandArgs(trailingOnly = TRUE) |
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148 cmd.args = cmd.args[seq.int(from=1, length.out=length(cmd.args) - length(cmd.args.trailing))] |
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149 res = gsub("^(?:--file=(.*)|.*)$", "\\1", cmd.args) |
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150 |
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151 # If multiple --file arguments are given, R uses the last one |
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152 res = tail(res[res != ""], 1) |
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153 if (0 < length(res)) return(dirname(res)) |
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154 |
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155 # Both are not the case. Maybe we are in an R GUI? |
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156 return(NULL) |
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157 } |
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158 |
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159 script.dir <- LocationOfThisScript() |
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160 |
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161 rmarkdown_params <- list( |
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162 inputFile = inputFile |
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163 , alphaFile = alphaFile |
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164 , firstDataColumn = firstDataColumn |
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165 , imputationMethod = imputationMethod |
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166 , meanPercentile = meanPercentile |
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167 , sdPercentile = sdPercentile |
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168 , regexSampleNames = regexSampleNames |
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169 , regexSampleGrouping = regexSampleGrouping |
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170 , imputedDataFilename = imputedDataFilename |
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171 ) |
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172 |
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173 str(rmarkdown_params) |
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174 |
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175 # BUG |
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176 # Must render as HTML for the time being until this issue is resolved: |
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177 # https://github.com/conda-forge/texlive-core-feedstock/issues/19 |
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178 # for reason: |
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179 # "The following dependencies are not available in conda" |
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180 # reported here: |
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181 # https://github.com/ami-iit/bipedal-locomotion-framework/pull/457/commits/e98ccef8c8cb63e207df36628192af6ce22feb13 |
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182 |
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183 # freeze the random number generator so the same results will be produced from run to run |
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184 set.seed(28571) |
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185 |
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186 rmarkdown::render( |
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187 input = paste(script.dir, "mqppep_anova_script.Rmd", sep="/") |
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188 , output_format = rmarkdown::html_document(pandoc_args = "--self-contained") |
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189 , output_file = reportFileName |
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190 , params = rmarkdown_params |
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191 ) |