annotate FeatureFinderMultiplex.xml @ 4:6ead64a594bd draft default tip

planemo upload for repository https://github.com/bgruening/galaxytools/tree/master/tools/openms commit 7a5239910fda9ed90cca286a38855703b40b1b56-dirty
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date Wed, 27 Jan 2016 10:06:49 -0500
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1 <?xml version="1.0" encoding="UTF-8"?>
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2 <!--This is a configuration file for the integration of a tools into Galaxy (https://galaxyproject.org/). This file was automatically generated using CTD2Galaxy.-->
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3 <!--Proposed Tool Section: [Quantitation]-->
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4 <tool id="FeatureFinderMultiplex" name="FeatureFinderMultiplex" version="2.0.0">
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5 <description>Determination of peak ratios in LC-MS data</description>
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6 <macros>
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7 <token name="@EXECUTABLE@">FeatureFinderMultiplex</token>
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8 <import>macros.xml</import>
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9 </macros>
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10 <expand macro="references"/>
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11 <expand macro="stdio"/>
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12 <expand macro="requirements"/>
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13 <command>FeatureFinderMultiplex
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14
4
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15 #if $param_in:
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16 -in $param_in
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17 #end if
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18 #if $param_out:
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19 -out $param_out
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20 #end if
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21 #if $param_out_features:
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22 -out_features $param_out_features
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23 #end if
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24 #if $param_out_mzq:
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25 -out_mzq $param_out_mzq
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26 #end if
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27 -threads \${GALAXY_SLOTS:-24}
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28 #if $param_algorithm_labels:
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29 -algorithm:labels &quot;$param_algorithm_labels&quot;
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30 #end if
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31 #if $param_algorithm_charge:
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32 -algorithm:charge &quot;$param_algorithm_charge&quot;
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33 #end if
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34 #if $param_algorithm_rt_typical:
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35 -algorithm:rt_typical $param_algorithm_rt_typical
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36 #end if
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37 #if $param_algorithm_rt_min:
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38 -algorithm:rt_min $param_algorithm_rt_min
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39 #end if
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40 #if $param_algorithm_mz_tolerance:
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41 -algorithm:mz_tolerance $param_algorithm_mz_tolerance
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42 #end if
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43 #if $param_algorithm_mz_unit:
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44 -algorithm:mz_unit
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45 #if &quot; &quot; in str($param_algorithm_mz_unit):
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46 &quot;$param_algorithm_mz_unit&quot;
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47 #else
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48 $param_algorithm_mz_unit
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49 #end if
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50 #end if
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51 #if $param_algorithm_intensity_cutoff:
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52 -algorithm:intensity_cutoff $param_algorithm_intensity_cutoff
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53 #end if
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54 #if $param_algorithm_peptide_similarity:
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55 -algorithm:peptide_similarity $param_algorithm_peptide_similarity
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56 #end if
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57 #if $param_algorithm_averagine_similarity:
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58 -algorithm:averagine_similarity $param_algorithm_averagine_similarity
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59 #end if
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60 #if $param_algorithm_missed_cleavages:
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61 -algorithm:missed_cleavages $param_algorithm_missed_cleavages
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62 #end if
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63 #if $adv_opts.adv_opts_selector=='advanced':
4
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64 #if $adv_opts.param_force:
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65 -force
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66 #end if
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67 #if $adv_opts.param_algorithm_isotopes_per_peptide:
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68 -algorithm:isotopes_per_peptide &quot;$adv_opts.param_algorithm_isotopes_per_peptide&quot;
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69 #end if
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70 #if $adv_opts.param_algorithm_averagine_similarity_scaling:
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71 -algorithm:averagine_similarity_scaling $adv_opts.param_algorithm_averagine_similarity_scaling
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72 #end if
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73 #if $adv_opts.param_algorithm_knock_out:
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74 -algorithm:knock_out
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75 #end if
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76 #if $adv_opts.param_labels_Arg6:
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77 -labels:Arg6 $adv_opts.param_labels_Arg6
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78 #end if
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79 #if $adv_opts.param_labels_Arg10:
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80 -labels:Arg10 $adv_opts.param_labels_Arg10
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81 #end if
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82 #if $adv_opts.param_labels_Lys4:
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83 -labels:Lys4 $adv_opts.param_labels_Lys4
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84 #end if
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85 #if $adv_opts.param_labels_Lys6:
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86 -labels:Lys6 $adv_opts.param_labels_Lys6
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87 #end if
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88 #if $adv_opts.param_labels_Lys8:
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89 -labels:Lys8 $adv_opts.param_labels_Lys8
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90 #end if
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91 #if $adv_opts.param_labels_Dimethyl0:
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92 -labels:Dimethyl0 $adv_opts.param_labels_Dimethyl0
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93 #end if
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94 #if $adv_opts.param_labels_Dimethyl4:
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95 -labels:Dimethyl4 $adv_opts.param_labels_Dimethyl4
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96 #end if
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97 #if $adv_opts.param_labels_Dimethyl6:
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98 -labels:Dimethyl6 $adv_opts.param_labels_Dimethyl6
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99 #end if
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100 #if $adv_opts.param_labels_Dimethyl8:
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101 -labels:Dimethyl8 $adv_opts.param_labels_Dimethyl8
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102 #end if
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103 #if $adv_opts.param_labels_ICPL0:
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104 -labels:ICPL0 $adv_opts.param_labels_ICPL0
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105 #end if
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106 #if $adv_opts.param_labels_ICPL4:
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107 -labels:ICPL4 $adv_opts.param_labels_ICPL4
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108 #end if
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109 #if $adv_opts.param_labels_ICPL6:
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110 -labels:ICPL6 $adv_opts.param_labels_ICPL6
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111 #end if
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112 #if $adv_opts.param_labels_ICPL10:
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113 -labels:ICPL10 $adv_opts.param_labels_ICPL10
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114 #end if
0
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115 #end if
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116 </command>
4
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117 <inputs>
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118 <param format="mzml" help="(-in) " label="LC-MS dataset in centroid or profile mode" name="param_in" optional="False" type="data"/>
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119 <param help="(-labels) [...] specifies the labels for a single sample. For example &lt;br&gt; &lt;br&gt;[][Lys8,Arg10] ... SILAC &lt;br&gt;[][Lys4,Arg6][Lys8,Arg10] ... triple-SILAC &lt;br&gt;[Dimethyl0][Dimethyl6] ... Dimethyl &lt;br&gt;[Dimethyl0][Dimethyl4][Dimethyl8] ... triple Dimethyl &lt;br&gt;[ICPL0][ICPL4][ICPL6][ICPL10] ... ICPL" label="Labels used for labelling the samples" name="param_algorithm_labels" size="30" type="text" value="[][Lys8,Arg10]">
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120 <sanitizer>
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121 <valid initial="string.printable">
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122 <remove value="'"/>
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123 <remove value="&quot;"/>
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124 </valid>
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125 </sanitizer>
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126 </param>
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127 <param help="(-charge) min charge : max charge" label="Range of charge states in the sample, i.e" name="param_algorithm_charge" size="30" type="text" value="1:4">
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128 <sanitizer>
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129 <valid initial="string.printable">
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130 <remove value="'"/>
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131 <remove value="&quot;"/>
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132 </valid>
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133 </sanitizer>
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134 </param>
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135 <param help="(-rt_typical) (This is not an upper bound. Peptides that elute for longer will be reported.)" label="Typical retention time [s] over which a characteristic peptide elutes" min="0.0" name="param_algorithm_rt_typical" optional="True" type="float" value="40.0"/>
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136 <param help="(-rt_min) (Any peptides seen for a shorter time period are not reported.)" label="Lower bound for the retention time [s]" min="0.0" name="param_algorithm_rt_min" optional="True" type="float" value="2.0"/>
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137 <param help="(-mz_tolerance) " label="m/z tolerance for search of peak patterns" min="0.0" name="param_algorithm_mz_tolerance" optional="True" type="float" value="6.0"/>
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138 <param help="(-mz_unit) " label="Unit of the 'mz_tolerance' paramete" name="param_algorithm_mz_unit" optional="True" type="select" value="ppm">
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139 <option value="Da">Da</option>
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140 <option value="ppm">ppm</option>
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141 </param>
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142 <param help="(-intensity_cutoff) " label="Lower bound for the intensity of isotopic peaks" min="0.0" name="param_algorithm_intensity_cutoff" optional="True" type="float" value="1000.0"/>
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143 <param help="(-peptide_similarity) This parameter is a lower bound on their similarity" label="Two peptides in a multiplet are expected to have the same isotopic pattern" max="1.0" min="-1.0" name="param_algorithm_peptide_similarity" optional="True" type="float" value="0.5"/>
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144 <param help="(-averagine_similarity) This parameter is a lower bound on similarity between measured isotopic pattern and the averagine model" label="The isotopic pattern of a peptide should resemble the averagine model at this m/z position" max="1.0" min="-1.0" name="param_algorithm_averagine_similarity" optional="True" type="float" value="0.4"/>
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145 <param help="(-missed_cleavages) " label="Maximum number of missed cleavages due to incomplete digestion" min="0" name="param_algorithm_missed_cleavages" optional="True" type="integer" value="0"/>
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146 <expand macro="advanced_options">
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147 <param checked="false" falsevalue="" help="(-force) " label="Overwrite tool specific checks" name="param_force" optional="True" truevalue="-force" type="boolean"/>
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148 <param help="(-isotopes_per_peptide) For example 3:6, if isotopic peptide patterns in the sample consist of either three, four, five or six isotopic peaks. " label="Range of isotopes per peptide in the sample" name="param_algorithm_isotopes_per_peptide" size="30" type="text" value="3:6">
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149 <sanitizer>
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150 <valid initial="string.printable">
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151 <remove value="'"/>
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152 <remove value="&quot;"/>
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153 </valid>
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154 </sanitizer>
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155 </param>
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156 <param help="(-averagine_similarity_scaling) For the detection of single peptides, the averagine parameter p is replaced by p' = p + x(1-p), i.e. x = 0 -&gt; p' = p and x = 1 -&gt; p' = 1. (For knock_out = true, peptide doublets and singlets are detected simulataneously. For singlets, the peptide similarity filter is irreleavant. In order to compensate for this 'missing filter', the averagine parameter p is replaced by the more restrictive p' when searching for singlets.)" label="Let x denote this scaling factor, and p the averagine similarity paramete" max="1.0" min="0.0" name="param_algorithm_averagine_similarity_scaling" optional="True" type="float" value="0.75"/>
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157 <param checked="false" falsevalue="" help="(-knock_out) (Supported for doublex, triplex and quadruplex experiments only.)" label="Is it likely that knock-outs are present?" name="param_algorithm_knock_out" optional="True" truevalue="-algorithm:knock_out" type="boolean"/>
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158 <param help="(-Arg6) " label="Label:13C(6) | C(-6) 13C(6) | unimod #188" min="0.0" name="param_labels_Arg6" optional="True" type="float" value="6.0201290268"/>
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159 <param help="(-Arg10) " label="Label:13C(6)15N(4) | C(-6) 13C(6) N(-4) 15N(4) | unimod #267" min="0.0" name="param_labels_Arg10" optional="True" type="float" value="10.0082686"/>
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160 <param help="(-Lys4) " label="Label:2H(4) | H(-4) 2H(4) | unimod #481" min="0.0" name="param_labels_Lys4" optional="True" type="float" value="4.0251069836"/>
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161 <param help="(-Lys6) " label="Label:13C(6) | C(-6) 13C(6) | unimod #188" min="0.0" name="param_labels_Lys6" optional="True" type="float" value="6.0201290268"/>
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162 <param help="(-Lys8) " label="Label:13C(6)15N(2) | C(-6) 13C(6) N(-2) 15N(2) | unimod #259" min="0.0" name="param_labels_Lys8" optional="True" type="float" value="8.0141988132"/>
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163 <param help="(-Dimethyl0) " label="Dimethyl | H(4) C(2) | unimod #36" min="0.0" name="param_labels_Dimethyl0" optional="True" type="float" value="28.0313"/>
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164 <param help="(-Dimethyl4) " label="Dimethyl:2H(4) | 2H(4) C(2) | unimod #199" min="0.0" name="param_labels_Dimethyl4" optional="True" type="float" value="32.056407"/>
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165 <param help="(-Dimethyl6) " label="Dimethyl:2H(4)13C(2) | 2H(4) 13C(2) | unimod #510" min="0.0" name="param_labels_Dimethyl6" optional="True" type="float" value="34.063117"/>
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166 <param help="(-Dimethyl8) " label="Dimethyl:2H(6)13C(2) | H(-2) 2H(6) 13C(2) | unimod #330" min="0.0" name="param_labels_Dimethyl8" optional="True" type="float" value="36.07567"/>
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167 <param help="(-ICPL0) " label="ICPL | H(3) C(6) N O | unimod #365" min="0.0" name="param_labels_ICPL0" optional="True" type="float" value="105.021464"/>
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168 <param help="(-ICPL4) " label="ICPL:2H(4) | H(-1) 2H(4) C(6) N O | unimod #687" min="0.0" name="param_labels_ICPL4" optional="True" type="float" value="109.046571"/>
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169 <param help="(-ICPL6) " label="ICPL:13C(6) | H(3) 13C(6) N O | unimod #364" min="0.0" name="param_labels_ICPL6" optional="True" type="float" value="111.041593"/>
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170 <param help="(-ICPL10) " label="ICPL:13C(6)2H(4) | H(-1) 2H(4) 13C(6) N O | unimod #866" min="0.0" name="param_labels_ICPL10" optional="True" type="float" value="115.0667"/>
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171 </expand>
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172 </inputs>
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173 <outputs>
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174 <data format="consensusxml" name="param_out"/>
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175 <data format="xml" name="param_out_features"/>
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176 <data format="mzq" name="param_out_mzq"/>
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177 </outputs>
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178 <help>Determination of peak ratios in LC-MS data
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179
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180
4
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181 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_FeatureFinderMultiplex.html</help>
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182 </tool>