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annotate msi_preprocessing.xml @ 5:755d77066d4b draft

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planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
author galaxyp
date Tue, 19 Jun 2018 18:05:34 -0400
parents ada9dee67b5d
children 82a0eba2e3af
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755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
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1 <tool id="mass_spectrometry_imaging_preprocessing" name="MSI preprocessing" version="1.10.0.2">
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2 <description>
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3 mass spectrometry imaging preprocessing
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4 </description>
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5 <requirements>
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6 <requirement type="package" version="1.10.0">bioconductor-cardinal</requirement>
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7 <requirement type="package" version="2.2.1">r-gridextra</requirement>
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8 <requirement type="package" version="0.20-35">r-lattice</requirement>
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9 <!--requirement type="package" version="3.34.9">bioconductor-limma</requirement-->
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10 </requirements>
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11 <command detect_errors="exit_code">
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12 <![CDATA[
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14 #if $infile.ext == 'imzml'
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15 ln -s '${infile.extra_files_path}/imzml' infile.imzML &&
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16 ln -s '${infile.extra_files_path}/ibd' infile.ibd &&
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17 #elif $infile.ext == 'analyze75'
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18 ln -s '${infile.extra_files_path}/hdr' infile.hdr &&
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19 ln -s '${infile.extra_files_path}/img' infile.img &&
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20 ln -s '${infile.extra_files_path}/t2m' infile.t2m &&
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21 #else
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22 ln -s '$infile' infile.RData &&
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23 #end if
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24 cat '${cardinal_preprocessing}' &&
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25 Rscript '${cardinal_preprocessing}'
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27 ]]>
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28 </command>
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29 <configfiles>
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30 <configfile name="cardinal_preprocessing"><![CDATA[
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32 ################################# load libraries and read file #################
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33
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34 library(Cardinal)
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35 library(gridExtra)
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36 library(lattice)
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37 ###library(limma)
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38
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39 #if $infile.ext == 'imzml'
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40 msidata <- readImzML('infile', mass.accuracy=$accuracy, units.accuracy = "$units")
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41 #elif $infile.ext == 'analyze75'
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42 msidata = readAnalyze('infile')
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43 #else
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44 load('infile.RData')
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45 #end if
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46
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47 ## function to later read RData reference files in
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48
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49 loadRData <- function(fileName){
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50 #loads an RData file, and returns it
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51 load(fileName)
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52 get(ls()[ls() != "fileName"])
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53 }
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54
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55 ######################### preparations for QC report #################
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56
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57 maxfeatures = length(features(msidata))
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58 medianpeaks = median(colSums(spectra(msidata)[]>0))
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59 medint = round(median(spectra(msidata)[]), digits=2)
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60 TICs = round(mean(colSums(spectra(msidata)[])), digits=1)
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61 QC_numbers= data.frame(inputdata = c(maxfeatures, medianpeaks, medint, TICs))
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62 vectorofactions = "inputdata"
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63
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64 ############################### Preprocessing steps ###########################
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65 ###############################################################################
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66
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67 #for $method in $methods:
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68
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69 ############################### Normalization ###########################
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71 #if str( $method.methods_conditional.preprocessing_method ) == 'Normalization':
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72 print('Normalization')
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73 ##normalization
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74
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75 msidata = normalize(msidata, method="tic")
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76
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77 ############################### QC ###########################
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78
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79 maxfeatures = length(features(msidata))
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80 medianpeaks = median(colSums(spectra(msidata)[]>0))
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81 medint = round(median(spectra(msidata)[]), digits=2)
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82 TICs = round(mean(colSums(spectra(msidata)[])), digits=1)
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83 normalized = c(maxfeatures, medianpeaks, medint, TICs)
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84 QC_numbers= cbind(QC_numbers, normalized)
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85 vectorofactions = append(vectorofactions, "normalized")
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86
4
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87 ############################### Baseline reduction ###########################
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88
0
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89 #elif str( $method.methods_conditional.preprocessing_method ) == 'Baseline_reduction':
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90 print('Baseline_reduction')
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91 ##baseline reduction
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92
2
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93 msidata = reduceBaseline(msidata, method="median", blocks=$method.methods_conditional.blocks_baseline)
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94
5
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95 ############################### QC ###########################
4
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96
2
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97 maxfeatures = length(features(msidata))
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98 medianpeaks = median(colSums(spectra(msidata)[]>0))
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99 medint = round(median(spectra(msidata)[]), digits=2)
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100 TICs = round(mean(colSums(spectra(msidata)[])), digits=1)
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101 baseline= c(maxfeatures, medianpeaks, medint, TICs)
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102 QC_numbers= cbind(QC_numbers, baseline)
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103 vectorofactions = append(vectorofactions, "baseline red.")
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104
4
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105 ############################### Smoothing ###########################
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106
0
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107 #elif str( $method.methods_conditional.preprocessing_method ) == 'Smoothing':
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108 print('Smoothing')
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109 ## Smoothing
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110
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111 #if str( $method.methods_conditional.methods_for_smoothing.smoothing_method) == 'gaussian':
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112 print('gaussian smoothing')
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113
3
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114 msidata = smoothSignal(msidata, method="$method.methods_conditional.methods_for_smoothing.smoothing_method", window=$method.methods_conditional.window_smoothing, sd = $method.methods_conditional.methods_for_smoothing.sd_gaussian)
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115
0
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116 #elif str( $method.methods_conditional.methods_for_smoothing.smoothing_method) == 'sgolay':
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117 print('sgolay smoothing')
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118
3
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119 msidata = smoothSignal(msidata, method="$method.methods_conditional.methods_for_smoothing.smoothing_method", window=$method.methods_conditional.window_smoothing, order = $method.methods_conditional.methods_for_smoothing.order_of_filters)
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120 #elif str($method.methods_conditional.methods_for_smoothing.smoothing_method) == 'ma':
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121 print('sgolay smoothing')
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122
3
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123 msidata = smoothSignal(msidata, method="$method.methods_conditional.methods_for_smoothing.smoothing_method", window=$method.methods_conditional.window_smoothing, coef = $method.methods_conditional.methods_for_smoothing.coefficients_ma_filter)
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124
0
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125 #end if
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126
5
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127 ############################### QC ###########################
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128
2
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129 maxfeatures = length(features(msidata))
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130 medianpeaks = median(colSums(spectra(msidata)[]>0))
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131 medint = round(median(spectra(msidata)[]), digits=2)
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132 TICs = round(mean(colSums(spectra(msidata)[])), digits=1)
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133 smoothed= c(maxfeatures, medianpeaks, medint, TICs)
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134 QC_numbers= cbind(QC_numbers, smoothed)
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135 vectorofactions = append(vectorofactions, "smoothed")
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136
4
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137 ############################### Peak picking ###########################
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138
0
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139 #elif str( $method.methods_conditional.preprocessing_method) == 'Peak_picking':
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140 print('Peak_picking')
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141 ## Peakpicking
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142
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143 #if str( $method.methods_conditional.methods_for_picking.picking_method) == 'adaptive':
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144 print('adaptive peakpicking')
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145
2
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146 msidata = peakPick(msidata, window = $method.methods_conditional.window_picking, blocks = $method.methods_conditional.blocks_picking, method='$method.methods_conditional.methods_for_picking.picking_method', SNR=$method.methods_conditional.SNR_picking_method, spar=$method.methods_conditional.methods_for_picking.spar_picking)
0
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147
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148 #elif str( $method.methods_conditional.methods_for_picking.picking_method) == 'limpic':
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149 print('limpic peakpicking')
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150
2
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151 msidata = peakPick(msidata, window = $method.methods_conditional.window_picking, blocks = $method.methods_conditional.blocks_picking, method='$method.methods_conditional.methods_for_picking.picking_method', SNR=$method.methods_conditional.SNR_picking_method, thresh=$method.methods_conditional.methods_for_picking.tresh_picking)
0
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152
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153 #elif str( $method.methods_conditional.methods_for_picking.picking_method) == 'simple':
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154 print('simple peakpicking')
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155
2
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156 msidata = peakPick(msidata, window = $method.methods_conditional.window_picking, blocks = $method.methods_conditional.blocks_picking, method='$method.methods_conditional.methods_for_picking.picking_method', SNR=$method.methods_conditional.SNR_picking_method)
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157
0
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158 #end if
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159
5
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160 ############################### QC ###########################
4
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161
2
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162 maxfeatures = length(features(msidata))
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163 medianpeaks = median(colSums(spectra(msidata)[]>0))
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164 medint = round(median(spectra(msidata)[]), digits=2)
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165 TICs = round(mean(colSums(spectra(msidata)[])), digits=1)
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166 picked= c(maxfeatures, medianpeaks, medint, TICs)
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167 QC_numbers= cbind(QC_numbers, picked)
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168 vectorofactions = append(vectorofactions, "picked")
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169
4
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170 ############################### Peak alignment ###########################
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171
0
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172 #elif str( $method.methods_conditional.preprocessing_method ) == 'Peak_alignment':
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173 print('Peak_alignment')
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174 ## Peakalignment
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175
2
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176 #if str( $method.methods_conditional.align_ref_type.align_reference_datatype) == 'align_noref':
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177
2
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178 align_peak_reference = msidata
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179
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180 #elif str( $method.methods_conditional.align_ref_type.align_reference_datatype) == 'align_table':
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181
3
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182 align_reference_table = read.delim("$method.methods_conditional.align_ref_type.align_peaks_table", header = FALSE, stringsAsFactors = FALSE)
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183 align_reference_column = align_reference_table[,$method.methods_conditional.align_ref_type.align_mass_column]
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184 align_peak_reference = align_reference_column[align_reference_column>=min(mz(msidata)) & align_reference_column<=max(mz(msidata))]
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185 if (length(align_peak_reference) == 0)
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186 {align_peak_reference = 0}
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187
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188 #elif str( $method.methods_conditional.align_ref_type.align_reference_datatype) == 'align_msidata_ref':
2
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189
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190 align_peak_reference = loadRData('$method.methods_conditional.align_ref_type.align_peaks_msidata')
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191
2
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192 #end if
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193
0
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194 #if str( $method.methods_conditional.methods_for_alignment.alignment_method) == 'diff':
2
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195 print('diff peakalignment')
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196
2
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197 msidata = peakAlign(msidata, method='$method.methods_conditional.methods_for_alignment.alignment_method',diff.max =$method.methods_conditional.methods_for_alignment.value_diffalignment, units = "$method.methods_conditional.methods_for_alignment.units_diffalignment", ref=align_peak_reference)
0
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198
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199 #elif str( $method.methods_conditional.methods_for_alignment.alignment_method) == 'DP':
2
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200 print('DPpeakalignment')
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201
2
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202 msidata = peakAlign(msidata, method='$method.methods_conditional.methods_for_alignment.alignment_method',gap = $method.methods_conditional.methods_for_alignment.gap_DPalignment, ref=align_peak_reference)
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203
0
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204 #end if
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205
5
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206 ############################### QC ###########################
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207
2
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208 maxfeatures = length(features(msidata))
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209 medianpeaks = median(colSums(spectra(msidata)[]>0))
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210 medint = round(median(spectra(msidata)[]), digits=2)
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211 TICs = round(mean(colSums(spectra(msidata)[])), digits=1)
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212 aligned= c(maxfeatures, medianpeaks, medint, TICs)
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213 QC_numbers= cbind(QC_numbers, aligned)
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214 vectorofactions = append(vectorofactions, "aligned")
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215
4
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216 ############################### Peak filtering ###########################
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217
0
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218 #elif str( $method.methods_conditional.preprocessing_method) == 'Peak_filtering':
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219 print('Peak_filtering')
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220
0
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221 msidata = peakFilter(msidata, method='freq', freq.min = $method.methods_conditional.frequ_filtering)
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222
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223 ############################### QC ###########################
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224
2
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225 maxfeatures = length(features(msidata))
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226 medianpeaks = median(colSums(spectra(msidata)[]>0))
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227 medint = round(median(spectra(msidata)[]), digits=2)
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228 TICs = round(mean(colSums(spectra(msidata)[])), digits=1)
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229 filtered= c(maxfeatures, medianpeaks, medint, TICs)
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230 QC_numbers= cbind(QC_numbers, filtered)
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231 vectorofactions = append(vectorofactions, "filtered")
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232
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233 ############################### Data reduction ###########################
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234
2
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235 #elif str( $method.methods_conditional.preprocessing_method) == 'Data_reduction':
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236 print('Data_reduction')
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237
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238 #if str( $method.methods_conditional.methods_for_reduction.reduction_method) == 'bin':
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239 print('bin reduction')
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240
2
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241 msidata = reduceDimension(msidata, method="bin", width=$method.methods_conditional.methods_for_reduction.bin_width, units="$method.methods_conditional.methods_for_reduction.bin_units", fun=$method.methods_conditional.methods_for_reduction.bin_fun)
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242
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243 #elif str( $method.methods_conditional.methods_for_reduction.reduction_method) == 'resample':
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244 print('resample reduction')
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245
2
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246 msidata = reduceDimension(msidata, method="resample", step=$method.methods_conditional.methods_for_reduction.resample_step)
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247
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248 #elif str( $method.methods_conditional.methods_for_reduction.reduction_method) == 'peaks':
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249 print('peaks reduction')
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250
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251 #if str( $method.methods_conditional.methods_for_reduction.ref_type.reference_datatype) == 'table':
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252
3
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253 reference_table = read.delim("$method.methods_conditional.methods_for_reduction.ref_type.peaks_table", header = FALSE, stringsAsFactors = FALSE)
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254 reference_column = reference_table[,$method.methods_conditional.methods_for_reduction.ref_type.mass_column]
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255 peak_reference = reference_column[reference_column>min(mz(msidata)) & reference_column<max(mz(msidata))]
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256
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257 #elif str( $method.methods_conditional.methods_for_reduction.ref_type.reference_datatype) == 'msidata_ref':
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258
2
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259 peak_reference = loadRData('$method.methods_conditional.methods_for_reduction.ref_type.peaks_msidata')
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260
2
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261 #end if
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262
2
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263 msidata = reduceDimension(msidata, method="peaks", ref=peak_reference, type="$method.methods_conditional.methods_for_reduction.peaks_type")
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264 #end if
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265 ############################### QC ###########################
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266
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267 maxfeatures = length(features(msidata))
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268 medianpeaks = median(colSums(spectra(msidata)[]>0))
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269 medint = round(median(spectra(msidata)[]), digits=2)
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270 TICs = round(mean(colSums(spectra(msidata)[])), digits=1)
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271 reduced= c(maxfeatures, medianpeaks, medint, TICs)
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272 QC_numbers= cbind(QC_numbers, reduced)
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273 vectorofactions = append(vectorofactions, "reduced")
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274
4
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275 ############################### Transformation ###########################
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276
5
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277 #elif str( $method.methods_conditional.preprocessing_method) == 'Transformation':
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278 print('Transformation')
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279
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280 #if str( $method.methods_conditional.transf_conditional.trans_type) == 'log2':
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281 print('log2 transformation')
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282
5
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283 spectra(msidata)[][spectra(msidata)[] ==0] = NA
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284 print(paste0("Number of 0 which were converted into NA:",sum(is.na(spectra(msidata)[]))))
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285 spectra(msidata)[] = log2(spectra(msidata)[])
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286
5
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287 #elif str( $method.methods_conditional.transf_conditional.trans_type) == 'sqrt':
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288 print('squareroot transformation')
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289
5
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290 spectra(msidata)[] = sqrt(spectra(msidata)[])
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291
5
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292 #end if
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293
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294 ############################### QC ###########################
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295
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296 maxfeatures = length(features(msidata))
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297 medianpeaks = median(colSums(spectra(msidata)[]>0), na.rm=TRUE)
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298 medint = round(median(spectra(msidata)[], na.rm=TRUE), digits=2)
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299 TICs = round(mean(colSums(spectra(msidata)[]), na.rm=TRUE), digits=1)
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300 transformed= c(maxfeatures, medianpeaks, medint, TICs)
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301 QC_numbers= cbind(QC_numbers, transformed)
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302 vectorofactions = append(vectorofactions, "transformed")
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303
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304 #end if
0
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305 #end for
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306
5
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307 ############# Outputs: summar matrix, RData, tabular and QC report #############
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308 ################################################################################
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309 ## optional summarized matrix
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310 print('Summarized matrix')
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311
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312 #if "mean" in str($summary_type).split(","):
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313 print("mean matrix")
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314 if (!is.null(levels(msidata\$combined_sample))){
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315
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316 sample_matrix = matrix(,ncol=0, nrow=nrow(msidata))
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317 count = 1
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318 for (subsample in levels(msidata\$combined_sample)){
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319 subsample_pixels = msidata[,msidata\$combined_sample == subsample]
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320 subsample_calc = apply(spectra(subsample_pixels)[],1,mean, na.rm=TRUE)
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321 sample_matrix = cbind(sample_matrix, subsample_calc)
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322 count = count+1
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323 }
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324 rownames(sample_matrix) = mz(msidata)
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325 colnames(sample_matrix) = levels(msidata\$combined_sample)
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326 write.table(sample_matrix, file="$summarized_output_mean", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
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327 }else{
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328 full_sample_calc = as.data.frame(apply(spectra(msidata)[],1,mean, na.rm=TRUE))
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329 rownames(full_sample_calc) = mz(msidata)
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330 colnames(full_sample_calc) = "$infile.display_name"
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331 write.table(full_sample_calc, file="$summarized_output_mean", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
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332 }
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333
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334 #end if
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335
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336 #if "median" in str($summary_type).split(","):
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337 print("median matrix")
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338 if (!is.null(levels(msidata\$combined_sample))){
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339 sample_matrix = matrix(,ncol=0, nrow=nrow(msidata))
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340 count = 1
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341 for (subsample in levels(msidata\$combined_sample)){
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342 subsample_pixels = msidata[,msidata\$combined_sample == subsample]
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343 subsample_calc = apply(spectra(subsample_pixels)[],1,median, na.rm=TRUE)
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344 sample_matrix = cbind(sample_matrix, subsample_calc)
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345 count = count+1
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346 }
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347
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348 rownames(sample_matrix) = mz(msidata)
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349 colnames(sample_matrix) = levels(msidata\$combined_sample)
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350 write.table(sample_matrix, file="$summarized_output_median", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
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351 }else{
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352 full_sample_calc = apply(spectra(msidata)[],1,median, na.rm=TRUE)
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353 rownames(full_sample_calc) = mz(msidata)
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354 colnames(full_sample_calc) = "$infile.display_name"
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355 write.table(full_sample_calc, file="$summarized_output_mean", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
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356 }
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357 #end if
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358
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359 #if "sd" in str($summary_type).split(","):
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360 print("sd matrix")
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361 if (!is.null(levels(msidata\$combined_sample))){
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362 sample_matrix = matrix(,ncol=0, nrow=nrow(msidata))
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363 count = 1
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364 for (subsample in levels(msidata\$combined_sample)){
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365 subsample_pixels = msidata[,msidata\$combined_sample == subsample]
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366 subsample_calc = apply(spectra(subsample_pixels)[],1,sd, na.rm=TRUE)
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367 sample_matrix = cbind(sample_matrix, subsample_calc)
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368 count = count+1
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369 }
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370
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371 rownames(sample_matrix) = mz(msidata)
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372 colnames(sample_matrix) = levels(msidata\$combined_sample)
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373 write.table(sample_matrix, file="$summarized_output_sd", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
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374 }else{
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375 full_sample_calc = apply(spectra(msidata)[],1,sd, na.rm=TRUE)
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376 rownames(full_sample_calc) = mz(msidata)
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377 colnames(full_sample_calc) = "$infile.display_name"
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378 write.table(full_sample_calc, file="$summarized_output_mean", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
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379 }
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380 #end if
2
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381
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382 ## save as (.RData)
0
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383 save(msidata, file="$msidata_preprocessed")
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384
5
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385 print(paste0("Number of NAs in intensity matrix: ", sum(is.na(spectra(msidata)[]))))
2
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386
4
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387 ## save output matrix
2
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388 #if $output_matrix:
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389
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390 if (length(features(msidata))> 0)
4
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391 {
2
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392 ## save as intensity matrix
5
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393 spectramatrix = spectra(msidata)[]
2
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394 rownames(spectramatrix) = mz(msidata)
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395 newmatrix = rbind(pixels(msidata), spectramatrix)
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396 write.table(newmatrix[2:nrow(newmatrix),], file="$matrixasoutput", quote = FALSE, row.names = TRUE, col.names=NA, sep = "\t")
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397
4
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398 }else{
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399 print("file has no features left")
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400 write.table(matrix(rownames(coord(msidata)), ncol=ncol(msidata), nrow=1), file="$matrixasoutput", quote = FALSE, row.names = FALSE, col.names=FALSE, sep = "\t")
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401 }
2
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402
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403 #end if
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404
4
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405 ## save QC report
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
406
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
407 pdf("Preprocessing.pdf", fonts = "Times", pointsize = 12)
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
408 plot(0,type='n',axes=FALSE,ann=FALSE)
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
409 title(main=paste("Quality control during preprocessing \n", "Filename:", "$infile.display_name"))
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
410 rownames(QC_numbers) = c("# features", "median # peaks", "median intensity", "median TIC")
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
411 grid.table(t(QC_numbers))
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
412 dev.off()
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
413
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
414 ]]></configfile>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
415 </configfiles>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
416 <inputs>
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
417 <param name="infile" type="data" format="imzml,rdata,danalyze75"
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
418 label="MSI data as imzml, analyze7.5 or Cardinal MSImageSet saved as RData"
1
641316f29395 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit a8eebad4ad469908f64c25e1e2c705eb637e3cae
galaxyp
parents: 0
diff changeset
419 help="load imzml and ibd file by uploading composite datatype imzml"/>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
420 <param name="accuracy" type="float" value="50" label="Only for processed imzML files: enter mass accuracy to which the m/z values will be binned" help="This should be set to the native accuracy of the mass spectrometer, if known"/>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
421 <param name="units" display="radio" type="select" label="Only for processed imzML files: unit of the mass accuracy" help="either m/z or ppm">
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
422 <option value="mz" >mz</option>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
423 <option value="ppm" selected="True" >ppm</option>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
424 </param>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
425 <repeat name="methods" title="Preprocessing" min="1" max="50">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
426 <conditional name="methods_conditional">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
427 <param name="preprocessing_method" type="select" label="Select the preprocessing methods you want to apply">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
428 <option value="Normalization" selected="True">Normalization to TIC</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
429 <option value="Baseline_reduction">Baseline Reduction</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
430 <option value="Smoothing">Peak smoothing</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
431 <option value="Peak_picking">Peak picking</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
432 <option value="Peak_alignment">Peak alignment</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
433 <option value="Peak_filtering">Peak filtering</option>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
434 <option value="Data_reduction">Data reduction</option>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
435 <option value="Transformation">Transformation</option>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
436 </param>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
437 <when value="Normalization"/>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
438 <when value="Baseline_reduction">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
439 <param name="blocks_baseline" type="integer" value="50"
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
440 label="Blocks"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
441 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
442 <when value="Smoothing">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
443 <conditional name="methods_for_smoothing">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
444 <param name="smoothing_method" type="select" label="Smoothing method">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
445 <option value="gaussian" selected="True">gaussian</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
446 <option value="sgolay">Savitsky-Golay</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
447 <option value="ma">moving average</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
448 </param>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
449 <when value="gaussian">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
450 <param name="sd_gaussian" type="float" value="4"
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
451 label="The standard deviation for the Gaussian kernel (window/sd)"/>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
452 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
453 <when value="sgolay">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
454 <param name="order_of_filters" type="integer" value="3"
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
455 label="The order of the smoothing filter"/>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
456 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
457 <when value="ma">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
458 <param name="coefficients_ma_filter" type="integer" value="1"
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
459 label="The coefficients for the moving average filter"/>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
460 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
461 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
462 <param name="window_smoothing" type="integer" value="9"
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
463 label="Window size"/>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
464 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
465 <when value="Peak_picking">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
466 <param name="SNR_picking_method" type="integer" value="3"
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
467 label="Signal to noise ratio"
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
468 help="The minimal signal to noise ratio for peaks to be considered as a valid peak."/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
469 <param name="blocks_picking" type="integer" value="100" label = "Number of blocks"
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
470 help="Number of blocks in which to divide mass spectrum to calculate noise"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
471 <param name="window_picking" type="integer" value="5" label= "Window size" help="Window width for seeking local maxima"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
472 <conditional name="methods_for_picking">
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
473 <param name="picking_method" type="select" label="Peak picking method" help="only simple works for processed imzML files">
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
474 <option value="adaptive" selected="True">adaptive</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
475 <option value="limpic">limpic</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
476 <option value="simple">simple</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
477 </param>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
478 <when value="adaptive">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
479 <param name="spar_picking" type="float" value="1.0"
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
480 label="Spar value"
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
481 help = "Smoothing parameter for the spline smoothing
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
482 applied to the spectrum in order to decide the cutoffs
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
483 for throwing away false noise spikes that might occur inside peaks"/>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
484 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
485 <when value="limpic">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
486 <param name="tresh_picking" type="float" value="0.75"
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
487 label="thresh value" help="The thresholding quantile to use when comparing slopes in order to throw away peaks that are too flat"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
488 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
489 <when value="simple"/>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
490 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
491 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
492 <when value="Peak_alignment">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
493 <conditional name="methods_for_alignment">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
494 <param name="alignment_method" type="select" label="Alignment method">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
495 <option value="diff" selected="True">diff</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
496 <option value="DP">DP</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
497 </param>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
498 <when value="diff">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
499 <param name="value_diffalignment" type="integer" value="200"
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
500 label="diff.max" help="Peaks that differ less than this value will be aligned together"/>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
501 <param name="units_diffalignment" type="select" display = "radio" optional = "False"
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
502 label="units">
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
503 <option value="ppm" selected="True">ppm</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
504 <option value="Da">Da</option>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
505 </param>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
506 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
507 <when value="DP">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
508 <param name="gap_DPalignment" type="integer" value="0"
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
509 label="Gap" help="The gap penalty for the dynamic programming sequence alignment"/>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
510 </when>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
511 </conditional>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
512 <conditional name="align_ref_type">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
513 <param name="align_reference_datatype" type="select" label="Choose reference">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
514 <option value="align_noref" selected="True">no reference</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
515 <option value="align_table" >tabular file as reference</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
516 <option value="align_msidata_ref">msidata file as reference</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
517 </param>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
518 <when value="align_noref"/>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
519 <when value="align_table">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
520 <param name="align_peaks_table" type="data" format="tabular"
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
521 label="Reference m/z values to use for alignment - only these will be kept" help="One column with m/z values (without empty cells or letters)"/>
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
522 <param name="align_mass_column" data_ref="align_peaks_table" label="Column with reference m/z" type="data_column"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
523 </when>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
524 <when value="align_msidata_ref">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
525 <param name="align_peaks_msidata" type="data" format="rdata," label="Picked and aligned Cardinal MSImageSet saved as RData"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
526 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
527 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
528 </when>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
529 <when value="Peak_filtering">
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
530 <param name="frequ_filtering" type="integer" value="1000"
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
531 label="Freq.min" help="Peaks that occur in the dataset fewer times than this will be removed. Number should be between 1 (no filtering) and number of spectra (pixel)"/>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
532 </when>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
533 <when value="Data_reduction">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
534 <conditional name="methods_for_reduction">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
535 <param name="reduction_method" type="select" label="Reduction method">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
536 <option value="bin" selected="True">bin</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
537 <option value="resample">resample</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
538 <option value="peaks">peaks</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
539 </param>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
540 <when value="bin">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
541 <param name="bin_width" type="float" value="1"
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
542 label="The width of a bin in m/z or ppm" help="Width must be greater than range of m/z values divided by number of m/z features"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
543 <param name="bin_units" type="select" display="radio"
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
544 label="Unit for bin">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
545 <option value="mz" selected="True">mz</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
546 <option value="ppm">ppm</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
547 </param>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
548 <param name="bin_fun" type="select" display="radio"
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
549 label="Calculate sum or mean intensity for ions of the same bin">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
550 <option value="mean" selected="True">mean</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
551 <option value="sum">sum</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
552 </param>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
553 </when>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
554 <when value="resample">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
555 <param name="resample_step" type="float" value="1"
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
556 label="The step size in m/z" help="Step size must be greater than range of m/z values divided by number of m/z features"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
557 </when>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
558 <when value="peaks">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
559 <param name="peaks_type" type="select" display="radio"
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
560 label="Should the peak height or area under the curve be taken as the intensity value?">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
561 <option value="height" selected="True">height</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
562 <option value="area">area</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
563 </param>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
564 <conditional name="ref_type">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
565 <param name="reference_datatype" type="select" label="Choose reference datatype">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
566 <option value="table" selected="True">tabular file</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
567 <option value="msidata_ref">msidata file</option>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
568 </param>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
569 <when value="table">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
570 <param name="peaks_table" type="data" format="tabular"
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
571 label="Reference m/z values to use to reduce the dimension" help="One column with m/z values (without empty cells or letters, m/z outside m/z range are not used for filtering)"/>
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
572 <param name="mass_column" data_ref="peaks_table" label="Column with reference m/z" type="data_column"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
573 </when>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
574 <when value="msidata_ref">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
575 <param name="peaks_msidata" type="data" format="rdata," label="Picked and aligned Cardinal MSImageSet saved as RData"/>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
576 </when>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
577 </conditional>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
578 </when>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
579 </conditional>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
580 </when>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
581 <when value="Transformation">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
582 <conditional name="transf_conditional">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
583 <param name="trans_type" type="select" label="Choose which intensity transformation you want to apply" help="logarithm base 2 (log2) or squareroot (sqrt)">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
584 <option value="log2" selected="True">log2</option>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
585 <option value="sqrt">sqrt</option>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
586 </param>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
587 <when value="log2"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
588 <when value="sqrt"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
589 </conditional>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
590 </when>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
591 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
592 </repeat>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
593 <param name="summary_type" type="select" display="checkboxes" multiple="true" label="Summarize all pixels of a sample and calculate the mean, median or standard deviation">
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
594 <option value="mean">mean</option>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
595 <option value="median">median</option>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
596 <option value="sd">standard deviation</option>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
597 </param>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
598 <param name="output_matrix" type="boolean" label="Intensity matrix output"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
599 </inputs>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
600 <outputs>
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
601 <data format="rdata" name="msidata_preprocessed" label="$infile.display_name preprocessed"/>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
602 <data format="pdf" name="QC_plots" from_work_dir="Preprocessing.pdf" label = "$infile.display_name preprocessed_QC"/>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
603 <data format="tabular" name="summarized_output_mean" label="$infile.display_name mean_matrix">
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
604 <filter>summary_type and "mean" in summary_type</filter>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
605 </data>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
606 <data format="tabular" name="summarized_output_median" label="$infile.display_name median_matrix">
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
607 <filter>summary_type and "median" in summary_type</filter>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
608 </data>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
609 <data format="tabular" name="summarized_output_sd" label="$infile.display_name sd_matrix">
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
610 <filter>summary_type and "sd" in summary_type</filter>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
611 </data>
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
612 <data format="tabular" name="matrixasoutput" label="$infile.display_name preprocessed_matrix">
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
613 <filter>output_matrix</filter>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
614 </data>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
615 </outputs>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
616 <tests>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
617 <test expect_num_outputs="3">
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
618 <param name="infile" value="" ftype="imzml">
1
641316f29395 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit a8eebad4ad469908f64c25e1e2c705eb637e3cae
galaxyp
parents: 0
diff changeset
619 <composite_data value="Example_Continuous.imzML"/>
641316f29395 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit a8eebad4ad469908f64c25e1e2c705eb637e3cae
galaxyp
parents: 0
diff changeset
620 <composite_data value="Example_Continuous.ibd"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
621 </param>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
622 <repeat name="methods">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
623 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
624 <param name="preprocessing_method" value="Normalization"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
625 </conditional>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
626 </repeat>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
627 <repeat name="methods">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
628 <conditional name="methods_conditional">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
629 <param name="preprocessing_method" value="Smoothing"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
630 <conditional name="methods_for_smoothing">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
631 <param name="smoothing_method" value="gaussian"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
632 </conditional>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
633 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
634 </repeat>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
635 <repeat name="methods">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
636 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
637 <param name="preprocessing_method" value="Peak_picking"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
638 <conditional name="methods_for_picking">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
639 <param name="picking_method" value="adaptive"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
640 </conditional>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
641 <param name="blocks_picking" value="3"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
642 <param name="window_picking" value="3"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
643 </conditional>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
644 </repeat>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
645 <repeat name="methods">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
646 <conditional name="methods_conditional">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
647 <param name="preprocessing_method" value="Peak_alignment"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
648 <conditional name="methods_for_alignment">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
649 <param name="alignment_method" value="diff"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
650 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
651 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
652 </repeat>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
653 <repeat name="methods">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
654 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
655 <param name="preprocessing_method" value="Peak_filtering"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
656 <param name="frequ_filtering" value="2"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
657 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
658 </repeat>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
659 <repeat name="methods">
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
660 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
661 <param name="preprocessing_method" value="Transformation"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
662 <conditional name="transf_conditional">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
663 <param name="trans_type" value="sqrt"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
664 </conditional>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
665 </conditional>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
666 </repeat>
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
667 <param name="output_matrix" value="True"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
668 <output name="msidata_preprocessed" file="preprocessing_results1.RData" compare="sim_size"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
669 <output name="matrixasoutput" file="preprocessing_results1.txt"/>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
670 <output name="QC_plots" file="preprocessing_results1.pdf" compare="sim_size"/>
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
671 </test>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
672 <test expect_num_outputs="4">
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
673 <param name="infile" value="123_combined.RData" ftype="rdata"/>
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
674 <repeat name="methods">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
675 <conditional name="methods_conditional">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
676 <param name="preprocessing_method" value="Peak_picking"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
677 <param name="blocks_picking" value="3"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
678 <param name="window_picking" value="5"/>
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
679 <param name="SNR_picking_method" value="2"/>
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
680 <conditional name="methods_for_picking">
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
681 <param name="picking_method" value="adaptive"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
682 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
683 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
684 </repeat>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
685 <repeat name="methods">
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
686 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
687 <param name="preprocessing_method" value="Peak_alignment"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
688 <conditional name="methods_for_alignment">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
689 <param name="alignment_method" value="DP"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
690 </conditional>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
691 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
692 </repeat>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
693 <param name="summary_type" value="median,sd"/>
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
694 <output name="msidata_preprocessed" file="preprocessing_results2.RData" compare="sim_size"/>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
695 <output name="summarized_output_median" file="preprocessing_median2.txt" lines_diff="2"/>
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
696 <output name="summarized_output_sd" file="preprocessing_sd2.txt" lines_diff="2"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
697 <output name="QC_plots" file="preprocessing_results2.pdf" compare="sim_size"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
698 </test>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
699 <test expect_num_outputs="3">
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
700 <param name="infile" value="" ftype="analyze75">
1
641316f29395 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit a8eebad4ad469908f64c25e1e2c705eb637e3cae
galaxyp
parents: 0
diff changeset
701 <composite_data value="Analyze75.hdr"/>
641316f29395 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit a8eebad4ad469908f64c25e1e2c705eb637e3cae
galaxyp
parents: 0
diff changeset
702 <composite_data value="Analyze75.img"/>
641316f29395 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit a8eebad4ad469908f64c25e1e2c705eb637e3cae
galaxyp
parents: 0
diff changeset
703 <composite_data value="Analyze75.t2m"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
704 </param>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
705 <repeat name="methods">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
706 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
707 <param name="preprocessing_method" value="Normalization"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
708 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
709 </repeat>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
710 <repeat name="methods">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
711 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
712 <param name="preprocessing_method" value="Peak_picking"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
713 <param name="blocks_picking" value="100"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
714 <param name="window_picking" value="5"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
715 <param name="picking_method" value="limpic"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
716 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
717 </repeat>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
718 <repeat name="methods">
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
719 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
720 <param name="preprocessing_method" value="Peak_alignment"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
721 <conditional name="methods_for_alignment">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
722 <param name="alignment_method" value="diff"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
723 </conditional>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
724 </conditional>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
725 </repeat>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
726 <param name="summary_type" value="mean"/>
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
727 <output name="msidata_preprocessed" file="preprocessing_results3.RData" compare="sim_size"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
728 <output name="QC_plots" file="preprocessing_results3.pdf" compare="sim_size"/>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
729 <output name="summarized_output_mean" file="preprocessing_mean3.txt" lines_diff="2"/>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
730 </test>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
731 <test expect_num_outputs="3">
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
732 <param name="infile" value="" ftype="analyze75">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
733 <composite_data value="Analyze75.hdr"/>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
734 <composite_data value="Analyze75.img"/>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
735 <composite_data value="Analyze75.t2m"/>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
736 </param>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
737 <repeat name="methods">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
738 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
739 <param name="preprocessing_method" value="Normalization"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
740 </conditional>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
741 </repeat>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
742 <repeat name="methods">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
743 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
744 <param name="preprocessing_method" value="Data_reduction"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
745 <param name="bin_width" value="0.1"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
746 </conditional>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
747 </repeat>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
748 <param name="output_matrix" value="True"/>
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
749 <output name="msidata_preprocessed" file="preprocessing_results4.RData" compare="sim_size"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
750 <output name="matrixasoutput" file="preprocessing_results4.txt"/>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
751 <output name="QC_plots" file="preprocessing_results4.pdf" compare="sim_size"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
752 </test>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
753 <test expect_num_outputs="2">
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
754 <param name="infile" value="" ftype="imzml">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
755 <composite_data value="Example_Continuous.imzML"/>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
756 <composite_data value="Example_Continuous.ibd"/>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
757 </param>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
758 <repeat name="methods">
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
759 <conditional name="methods_conditional">
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
760 <param name="preprocessing_method" value="Data_reduction"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
761 <conditional name="methods_for_reduction">
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
762 <param name="reduction_method" value="resample"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
763 <param name="step_width" value="0.1"/>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
764 </conditional>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
765 </conditional>
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
766 </repeat>
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
767 <output name="msidata_preprocessed" file="preprocessing_results5.RData" compare="sim_size"/>
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
768 <output name="QC_plots" file="preprocessing_results5.pdf" compare="sim_size"/>
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
769 </test>
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
770 </tests>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
771 <help>
1
641316f29395 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit a8eebad4ad469908f64c25e1e2c705eb637e3cae
galaxyp
parents: 0
diff changeset
772 <![CDATA[
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
773
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
774 Cardinal is an R package that implements statistical & computational tools for analyzing mass spectrometry imaging datasets. `More information on Cardinal <http://cardinalmsi.org//>`_
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
775
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
776 This tool provides provides multiple Cardinal functions to preprocess mass spectrometry imaging data.
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
777
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
778 Input data: 3 types of input data can be used:
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
779
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
780 - imzml file (upload imzml and ibd file via the "composite" function) `Introduction to the imzml format <https://ms-imaging.org/wp/imzml/>`_
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
781 - Analyze7.5 (upload hdr, img and t2m file via the "composite" function)
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
782 - Cardinal "MSImageSet" data (with variable name "msidata", saved as .RData)
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
783
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
784 Options:
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
785
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
786 - Normalization: Normalization of intensities to total ion current (TIC)
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
787 - Baseline reduction: Baseline reduction removes backgroundintensity generated by chemical noise (common in MALDI datasets)
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
788 - Smoothening: Smoothing of the peaks reduces noise and improves peak detection
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
789 - Peak picking: relevant peaks are picked while noise-peaks are removed (needs peak alignment afterwards)
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
790 - Peak alignment: only possible after peak picking, m/z inaccuracies are removed by alignment of same peaks to a common m/z value
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
791 - Peak filtering: works only on centroided data (after peak picking and alignment or data reduction with peak filtering), removes peaks that occur only in a small proportion of pixels. If not sure which cutoff to chose run qualitycontrol first and decide according to the zero value plot.
2
55e081b9f6ac planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 06c2b45d8644b1d7fc01622a5c59dcbf8886d0f1
galaxyp
parents: 1
diff changeset
792 - Data reduction: binning, resampling or peak filtering to reduce data
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
793
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
794
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
795 Output:
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
796
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
797 - imzML file, preprocessed
5
755d77066d4b planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 37da74ed68228b16efbdbde776e7c38cc06eb5d5
galaxyp
parents: 4
diff changeset
798 - pdf with key values after each processing step
4
ada9dee67b5d planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit a7be47698f53eb4f00961192327d93e8989276a7
galaxyp
parents: 3
diff changeset
799 - optional: intensity matrix as tabular file (intensities for m/z in rows and pixel in columns)
3
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
800
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
801 Tip:
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
802
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
803 - Peak alignment works only after peak picking
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
804 - Peak filtering works only on centroided data (peak picking and alignment or Data reduction peaks)
c17eb2cc0048 planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msi_preprocessing commit 1c808d60243bb1eeda0cd26cb4b0a17ab05de2c0
galaxyp
parents: 2
diff changeset
805
0
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
806 ]]>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
807 </help>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
808 <citations>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
809 <citation type="doi">10.1093/bioinformatics/btv146</citation>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
810 </citations>
133a921f4ef5 planemo upload for repository https://github.com/galaxyproject/tools-iuc/tree/master/tools/msi_preprocessing commit c4e490c83537b39418b5f09d624f7d4da3f3ad55
galaxyp
parents:
diff changeset
811 </tool>