annotate pmd_fdr.xml @ 1:460edeedeb7d draft default tip

"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
author galaxyp
date Thu, 10 Oct 2019 17:29:37 -0400
parents 5cc0c32d05a2
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460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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1 <tool id="pmd_fdr" name="PMD FDR" version="1.4.0">
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2 <description>recalculate FDR fom precursor mass discrepancy</description>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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3 <requirements>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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4 <requirement type="package" version="3.5.1">r-base</requirement>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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5 <requirement type="package" version="1.4.0">r-stringr</requirement>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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6 <requirement type="package" version="0.4">r-argparser</requirement>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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7 <requirement type="package" version="0.2-16">r-codetools</requirement>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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8 <requirement type="package" version="0.4.32">r-runit</requirement>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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9 </requirements>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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10 <command detect_errors="exit_code"><![CDATA[
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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11 Rscript '${__tool_directory__}/PMD_FDR_package_for_Galaxy.R'
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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12 --psm_report '$psm_report'
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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13 #if $psm_report_1_percent:
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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14 --psm_report_1_percent '$psm_report_1_percent'
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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15 #end if
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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16 --input_file_type $input_file_type
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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17 --output_g_fdr '$output_g_fdr'
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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18 --output_i_fdr '$output_i_fdr'
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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19 --output_densities '$output_densities'
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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20 ]]></command>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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21 <inputs>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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22 <param argument="--psm_report" type="data" format="tabular" label="PSM report (Peptide Spectrum Match)"/>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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23 <param argument="--psm_report_1_percent" type="data" format="tabular" label="PSM report at 1% FDR (Optional)" optional="true"/>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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24 <param argument="--input_file_type" type="select" label="Input file type">
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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25 <option value="PSM_Report" selected="true">PeptideShaker PSM_Report</option>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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26 <option value="PMD_FDR_input_file">PMD_FDR_input_file</option>
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460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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27 <option value="MaxQuant_Evidence">MaxQuant_Evidence</option>
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28 </param>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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29 </inputs>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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30 <outputs>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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31 <data name="output_g_fdr" format="tabular" label="${tool.name} on ${on_string} output_g_fdr"/>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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32 <data name="output_i_fdr" format="tabular" label="${tool.name} on ${on_string} output_i_fdr"/>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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33 <data name="output_densities" format="tabular" label="${tool.name} on ${on_string} output_densities"/>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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34 </outputs>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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35 <tests>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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36 <test>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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37 <param name="psm_report" ftype="tabular" value="test_PSM_Report.tabular"/>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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38 <output name="output_g_fdr" file="output_g_fdr.tabular" />
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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39 <output name="output_i_fdr" file="output_i_fdr.tabular" />
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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40 <output name="output_densities" file="output_densities.tabular" />
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41 </test>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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42 </tests>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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43 <help><![CDATA[
1
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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44 =======
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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45 PMD FDR
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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46 =======
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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47 PMD FDR calculates individual and global False Discovery Rate (FDR) using Precursor Mass Discrepancy (PMD) from a Peptide Spectrum Match (PSM) report. ee the `PMD-FDR-for-Galaxy-P home page <https://github.com/slhubler/PMD-FDR-for-Galaxy-P/blob/master/README.md#pmd-fdr-for-galaxy-p>`_ for details.
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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48
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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49 ----------
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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50 **Inputs**
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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51 ----------
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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52
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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53 **Primary Input file** is a PSM report, 3 formats are currently accepted:
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54
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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55 * PeptideShaker PSM report (--input_file_type PSM_Report)
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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56 This format is the output of PeptideShaker. We expect it to be a tab-delimited file with the first row being the column labels.
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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57 The following fields are required for a file to be correctly processed:
0
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58
1
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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59 - Confidence [%]
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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60 - Precursor m/z Error [ppm]
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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61 - Spectrum File
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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62 - Protein(s)
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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63 - Spectrum Title
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64 - Sequence
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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65 - Decoy
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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66
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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67 * Maxquant evidence.txt (--input_file_type MaxQuant_Evidence)
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68 The following fields are required for correct processing (others can exist):
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69
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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70 - PEP
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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71 - Mass error [ppm]
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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72 - Proteins
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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73 - Retention time
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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74 - Sequence
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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75 - Reverse
0
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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76
1
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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77 * Custom generated (--input_file_type PMD_FDR_input_file)
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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78 having columns with header names:
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79
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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80 - PMD_FDR_input_score
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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81 - PMD_FDR_pmd
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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82 - PMD_FDR_spectrum_file
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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83 - PMD_FDR_proteins
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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84 - PMD_FDR_spectrum_title
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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85 - PMD_FDR_sequence
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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86 - PMD_FDR_decoy
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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87
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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88 **Optional PSM 1% file**
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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89
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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90 At present, this only supports PSM_Report format. This is simply the PSM_Report from PeptideShaker using a 1% FDR. This file is matched against the Primary Input file, using the spectrum file and title to match records. If they agree, the record (in the original input) is marked by setting is_one_percent_FDR to TRUE
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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91
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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92
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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93 -----------
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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94 **Outputs**
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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95 -----------
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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96
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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97 Score ranges are used in all three files. An example score range: 060_099_ge_lt
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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98
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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99 The structure of score range field is *aaa_bbb_cc_dd* where:
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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100
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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101 * *aaa* is the lower bound of the score range
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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102 * *bbb* is the upper bound of the score range
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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103 * *cc* and *dd* describe the lower bound and upper bound comparison operator:
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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104
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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105 - eq - "equal to"
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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106 - ge - "greater than or equal to"
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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107 - gt - "greater than"
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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108 - le - "less than or equal to"
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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109 - lt - "less than"
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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110
0
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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111
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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112
1
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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113 **output_densities**
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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114 File contains a normalized version of the density function applied to up to 13 subsets of the data. All but "x" refers to the subsetting variable. As such, each column, except x, should sum to 1:
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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115
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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116 - x *center of a range of normalized PMD interval*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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117 - t *(estimated) relative abundance of True Hits*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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118 - f *(estimated) relative abundance of False Hits*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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119 - aaa_bbb_cc_dd *relative abundance of score range; see above for definition of score*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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120 - decoy *relative abundance of decoys (superset of f)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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121
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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122 Example:
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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123
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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124 ::
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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125
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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126 x t f 000_060_ge_lt 060_099_ge_lt 099_100_ge_lt 100_100_eq_eq decoy
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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127 -16.9133785470534 4.16622917525113e-18 8.93652665157669e-05 0.000309818912433651 0 3.74804907374386e-18 4.16622917525113e-18 8.93652665157669e-05
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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128 -16.8519045481908 4.23773371666637e-18 9.74050812738847e-05 0.000317480777369488 0 5.16725222326666e-18 4.23773371666637e-18 9.74050812738847e-05
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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129 ...
0
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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130
1
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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131 **output_g_fdr**
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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132
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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133 File contains the groupwise FDR (gFDR) for each score range:
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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134
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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135 - *group_of_interest* name of score group
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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136 - *alpha* gFDR
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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137
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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138 *Alpha hould be a number between 0 and 1 However, it is generated after excluding the training data and based on the resulting (random) peak height of each distribution. This means that the gFDR can be greater than 1 in practice.*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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139
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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140 Example::
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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141
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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142 group_of_interest alpha
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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143 000_060_ge_lt 0.953202547009365
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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144 060_099_ge_lt 0.477777669534645
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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145 099_100_ge_lt 0.381269718674806
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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146 100_100_eq_eq 0
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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147 decoy 1
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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148
0
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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149
1
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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150 **output_i_fdr**
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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151
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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152 This file contains the individual FDR (iFDR) for each PSM, with supporting evidence:
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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153
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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154 - PMD_FDR_spectrum_title *Unique identifier concatenating PMD_FDR_spectrum_file and PMD_FDR_spectrum_index*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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155 - value *Identical to PMD_FDR_pmd. Implemented this way to allow future alterations that would use input variables other than PMD*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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156 - PMD_FDR_decoy *Input variable - 1 for decoy, 0 for other*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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157 - median_of_group_index *median PMD for good-training records with the same group_index as the current record*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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158 - value_norm *normalized value (value minus median_of_group_index)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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159 - used_to_find_middle *logical variable reflecting the following statement: was this record used to identify the median_of_group_index? (These records MUST be excluded in any summary statistics.)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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160 - PMD_FDR_input_score *The score used to separate data*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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161 - PMD_FDR_pmd *Precursor Mass Discrepancy*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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162 - PMD_FDR_peptide_length *Peptide length of identified peptide*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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163 - PMD_FDR_spectrum_file *Name of file containing spectrum*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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164 - PMD_FDR_spectrum_index *Spectrum number within file*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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165 - PMD_FDR_proteins *Protein name*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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166 - group_input_score *Grouping by score*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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167 - group_pmd *Grouping by PMD (approx 20 groups)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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168 - group_peptide_length *Grouping by peptide length*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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169 - group_training_class *Grouping by Training class, (see notes)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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170 - group_proteins *Grouping by Protein groups (see notes)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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171 - group_spectrum_file *Same as PMD_FDR_spectrum_file*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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172 - group_spectrum_index *Contiguous groups of spectra (see notes)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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173 - group_proteins *Grouping by species (however, see notes)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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174 - group_decoy_input_score *decoy version of group_input_score*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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175 - group_decoy_pmd *decoy version of group_pmd*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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176 - group_decoy_peptide_length *decoy version of group_peptide_length*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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177 - group_decoy_spectrum_file *decoy version of group_spectrum_file*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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178 - group_decoy_spectrum_index *decoy version of group_spectrum_index*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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179 - group_decoy_proteins *decoy version of group_proteins*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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180 - is_in_1percent *PSM in 1% FDR file (if it exists)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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181 - value_of_interest *Defunct column (used during processing)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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182 - group_of_interest *Defunct column (used during processing)*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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183 - interpolated_groupwise_FDR *estimated gFDR, interpolated from gFDR derived from group_decoy_input_score*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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184 - t *density of t at PMD of record*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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185 - f *density of f at PMD of record*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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186 - alpha *same as interpolated_groupwise_FDR*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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187 - i_fdr *iFDR (alphaf / (alphaf + (1-alpha)*t))*
460edeedeb7d "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit d87c44ec8fd5bc03d7bb06f65a1a6ec247daee36"
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188
0
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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189
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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190 ]]></help>
5cc0c32d05a2 "planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/pmd_fdr commit 00f85eca73cd8afedfefbeec94a4462455ac1a9a"
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191 </tool>