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1 <?xml version='1.0' encoding='UTF-8'?>
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2 <tool id="IDPosteriorErrorProbability" name="IDPosteriorErrorProbability" version="1.12.0">
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3 <description>Estimates probabilities for incorrectly assigned peptide sequences and a set of search engine scores using a mixture model.</description>
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4 <macros>
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5 <token name="@EXECUTABLE@">IDPosteriorErrorProbability</token>
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6 <import>macros.xml</import>
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7 </macros>
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8 <expand macro="stdio"/>
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9 <expand macro="requirements"/>
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10 <command>IDPosteriorErrorProbability
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11
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12 -in ${param_in}
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13 -out ${param_out}
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14 -out_plot ${param_out_plot}
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15 ${param_split_charge}
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16 ${param_top_hits_only}
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17 ${param_ignore_bad_data}
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18 ${param_prob_correct}
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19 -threads \${GALAXY_SLOTS:-24}
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20 #if $adv_opts.adv_opts_selector=='advanced':
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21 -smallest_e_value ${adv_opts.param_smallest_e_value}
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22 -fdr_for_targets_smaller ${adv_opts.param_fdr_for_targets_smaller}
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23 -fit_algorithm:number_of_bins ${adv_opts.param_number_of_bins}
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24 -fit_algorithm:incorrectly_assigned ${adv_opts.param_incorrectly_assigned}
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25 #end if
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26 </command>
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27 <inputs>
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28 <param name="param_in" type="data" format="idXML" optional="False" label="input file " help="(-in)"/>
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29 <param name="param_split_charge" type="boolean" truevalue="-split_charge true" falsevalue="-split_charge false" checked="false" optional="True" label="The search engine scores are split by charge if this flag is set. Thus, for each charge state a new model will be computed." help="(-split_charge)"/>
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30 <param name="param_top_hits_only" type="boolean" truevalue="-top_hits_only true" falsevalue="-top_hits_only false" checked="false" optional="True" label="If set only the top hits of every PeptideIdentification will be used" help="(-top_hits_only)"/>
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31 <param name="param_ignore_bad_data" type="boolean" truevalue="-ignore_bad_data true" falsevalue="-ignore_bad_data false" checked="false" optional="True" label="If set errors will be written but ignored. Useful for pipelines with many datasets where only a few are bad, but the pipeline should run through." help="(-ignore_bad_data)"/>
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32 <param name="param_prob_correct" type="boolean" truevalue="-prob_correct true" falsevalue="-prob_correct false" checked="false" optional="True" label="If set scores will be calculated as 1-ErrorProbabilities and can be interpreted as probabilities for correct identifications." help="(-prob_correct)"/>
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33 <expand macro="advanced_options">
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34 <param name="param_smallest_e_value" type="float" value="1e-19" label="This value gives a lower bound to E-Values. It should not be 0, as transformation in a real number (log of E-value) is not possible for certain values then." help="(-smallest_e_value)"/>
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35 <param name="param_fdr_for_targets_smaller" type="float" value="0.05" label="Only used, when top_hits_only set. Additionally, target_decoy information should be available. The score_type must be q-value from an previous False Discovery Rate run." help="(-fdr_for_targets_smaller)"/>
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36 <param name="param_number_of_bins" type="integer" value="100" label="Number of bins used for visualization. Only needed if each iteration step of the EM-Algorithm will be visualized" help="(-number_of_bins)"/>
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37 <param name="param_incorrectly_assigned" type="select" optional="True" value="Gumbel" label="for 'Gumbel', the Gumbel distribution is used to plot incorrectly assigned sequences. For 'Gauss', the Gauss distribution is used." help="(-incorrectly_assigned)">
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38 <option value="Gumbel">Gumbel</option>
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39 <option value="Gauss">Gauss</option>
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40 </param>
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41 </expand>
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42 </inputs>
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43 <outputs>
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44 <data name="param_out" label="output file " format="idXML"/>
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45 <data name="param_out_plot" label="txt file (if gnuplot is available, a corresponding PDF will be created as well.)" format="txt"/>
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46 </outputs>
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47 <help>**What it does**
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48
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49 Estimates probabilities for incorrectly assigned peptide sequences and a set of search engine scores using a mixture model.
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50
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51
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52 For more information, visit http://ftp.mi.fu-berlin.de/OpenMS/release-documentation/html/TOPP_IDPosteriorErrorProbability.html
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53
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54 @REFERENCES@
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55 </help>
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56 </tool>
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