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Commit message:
"planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/proteomiqon_labelfreeproteinquantification commit 3d3272b1ebe527f4b1e80c08f915c6235625621c" |
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added:
aggregationparams.xml labelfreeproteinquantification.xml test-data/result_1.json test-data/result_2.json test-data/result_3.json test-data/sample.quantAndProt |
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| diff -r 000000000000 -r 39fa1ddd587d aggregationparams.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/aggregationparams.xml Wed Oct 13 18:45:16 2021 +0000 |
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| @@ -0,0 +1,51 @@ +<macros> + <xml name="AggregationParams"> + <section name="Transform" title="Transforms"> + <conditional name="TransformLightCond"> + <param name="Type" type="select" label="Light"> + <option value="None">None</option> + <option value="Log2">Log2</option> + <option value="Substract">Substract</option> + <option value="Add">Add</option> + <option value="DivideBy">DivideBy</option> + <option value="MultiplyBy">MultiplyBy</option> + </param> + <when value="None"> + </when> + <when value="Log2"> + </when> + <when value="Substract"> + <param name="Value" type="float" value="0.0" optional="true" label="Value" /> + </when> + <when value="Add"> + <param name="Value" type="float" value="0.0" optional="true" label="Value" /> + </when> + <when value="DivideBy"> + <param name="Value" type="float" value="0.0" optional="true" label="Value" /> + </when> + <when value="MultiplyBy"> + <param name="Value" type="float" value="0.0" optional="true" label="Value" /> + </when> + </conditional> + </section> + <section name="SingleFilters" title="Single filters"> + <section name="Light" title="Light"> + <param name="BiggerThan" type="float" value="" optional="true" label="Is bigger than" /> + <param name="SmallerThan" type="float" value="" optional="true" label="Is smaller than" /> + </section> + </section> + <section name="GroupFilters" title="Group Filters"> + <section name="Light" title="Light"> + <param name="Tukey" type="float" value="" optional="true" label="Tukey" /> + <param name="Stdev" type="float" value="" optional="true" label="Stdev" /> + </section> + </section> + <section name="Aggregation" title="Aggregation"> + <param name="AggregationLight" type="select" label="Light"> + <option value="Mean">Mean</option> + <option value="Median">Median</option> + <option value="Sum">Sum</option> + </param> + </section> + </xml> +</macros> \ No newline at end of file |
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| diff -r 000000000000 -r 39fa1ddd587d labelfreeproteinquantification.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/labelfreeproteinquantification.xml Wed Oct 13 18:45:16 2021 +0000 |
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| b'@@ -0,0 +1,745 @@\n+<tool id="proteomiqon_labelfreeproteinquantification" name="Proteomiqon LabelFreeProteinQuantification" version="@VERSION@" profile="20.05">\n+ <description>\n+ estimates protein abundances using quantified peptide ions.\n+ </description>\n+ <macros>\n+ <token name="@VERSION@">0.0.1</token>\n+ <import>aggregationparams.xml</import>\n+ </macros>\n+ <requirements>\n+ <requirement type="package" version="@VERSION@">proteomiqon-labelfreeproteinquantification</requirement>\n+ </requirements>\n+ <command detect_errors="exit_code"><![CDATA[\n+ #import re\n+ #for $quantAndProtFile in $proteinassignedquantpepions\n+ #set basename = $re.sub(r\'[^\\w ,.\\-+]\',\'_\',$quantAndProtFile.element_identifier)\n+ ln -s \'$quantAndProtFile\' \'${basename}.quantAndProt\' &&\n+ #end for\n+ #if $outputParamfile:\n+ cat \'$paramfile\' >> \'$out_paramfile\' &&\n+ #end if\n+ ln -s \'$out_labelFreeQuant\' \'LabelFreeQuant.txt\' &&\n+ proteomiqon-labelfreeproteinquantification -i \'./\' -p \'$paramfile\' -o \'./\'\n+ ]]>\n+ </command>\n+ <configfiles>\n+ <configfile name="paramfile">\n+ <![CDATA[\n+ {\n+ "ModificationFilter": {\n+ "Case": "${ModificationFilterCond.ModificationFilter}",\n+ #if $ModificationFilterCond.ModificationFilter == "UseOnly"\n+ "Fields": [\n+ [\n+ #for $mod in $ModificationFilterCond.ModificationFilterSequence\n+ {\n+ "Case": "${mod}"\n+ },\n+ #end for\n+ ]\n+ ]\n+ #end if\n+ },\n+ #set $aggregationParams = $AggregatePeptideChargeStatesParams.AggregatePeptideChargeStatesParamsCond\n+ #if $aggregationParams.AggregatePeptideChargeStatesParamsEnabled == "no"\n+ "AggregatePeptideChargeStatesParams": null,\n+ #else\n+ "AggregatePeptideChargeStatesParams": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ #set $TransformSection = $aggregationParams.Transform\n+ #set $TransformLight = $TransformSection.TransformLightCond\n+ #if $TransformLight.Type == "None"\n+ "Transform": null,\n+ #else\n+ "Transform": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ #if $TransformLight.Type == "None"\n+ "Light": null,\n+ #else\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Case": "${TransformLight.Type}",\n+ #if $TransformLight.Type != "Log2"\n+ "Fields": [\n+ $TransformLight.Value\n+ ]\n+ #end if\n+ }\n+ ]\n+ },\n+ #end if\n+ }\n+ ]\n+ },\n+ #end if\n+ #set $SingleFiltersSection ='..b'" value="yes"/>\n+ <section name="Transform">\n+ <conditional name="TransformLightCond">\n+ <param name="Type" value="Add"/>\n+ <param name="Value" value="2"/>\n+ </conditional>\n+ </section>\n+ <section name="SingleFilters">\n+ <section name="Light">\n+ <param name="BiggerThan" value=""/>\n+ <param name="SmallerThan" value="2"/>\n+ </section>\n+ </section>\n+ <section name="GroupFilters">\n+ <section name="Light">\n+ <param name="Tukey" value="1"/>\n+ <param name="Stdev" value=""/>\n+ </section>\n+ </section>\n+ <section name="Aggregation">\n+ <param name="AggregationLight" value="Sum"/>\n+ </section>\n+ </conditional>\n+ </section>\n+ <section name="AggregateToProteinGroupsParams">\n+ <section name="Transform">\n+ <conditional name="TransformLightCond">\n+ <param name="Type" value="DivideBy"/>\n+ <param name="Value" value="2"/>\n+ </conditional>\n+ </section>\n+ <section name="SingleFilters">\n+ <section name="Light">\n+ <param name="BiggerThan" value=""/>\n+ <param name="SmallerThan" value=""/>\n+ </section>\n+ </section>\n+ <section name="GroupFilters">\n+ <section name="Light">\n+ <param name="Tukey" value=""/>\n+ <param name="Stdev" value=""/>\n+ </section>\n+ </section>\n+ <section name="Aggregation">\n+ <param name="AggregationLight" value="Mean"/>\n+ </section>\n+ </section>\n+ <param name="outputParamfile" value="true"/>\n+ <output name="out_paramfile" file="result_3.json"/>\n+ </test>\n+ </tests>\n+ <help>\n+ <![CDATA[\n+What It Does\n+------------\n+**Disclaimer** this tool needs a quantAndProt file, which combines the results from ProteinInference and PSMBasedQuantification.\n+\n+After quantification and protein inference are performed, it is known which peptide originated from which protein, as well as the intensity of each peptide. \n+The information available for each peptide now needs to be aggragated for their proteins.\n+\n+This tool performs the aggregation from the peptides to the protein in several steps. The first two aggregation steps are optional. One of them is the aggregation \n+based on charge state. Peptides with the same sequence and modifications, but different charge states are being aggregated. The next optional step does the same \n+for peptides with the same sequence, but different modifications. Those steps build upon each other. The last step is the aggregation of all peptides of a protein. \n+The result of each aggregation step is given as a tab separated file. The aggregation is performed according to the given parameters for each step. \n+If an optional aggregation is not performed, the next step takes the result from the prior aggregation. For example, if aggregation by charge and modification are \n+skipped, the protein aggregation is performed on previously unaggregated peptides, where a peptidesequence can occur with different charge states and modifications.\n+\n+Further Reading\n+---------------\n+Additional information about the tool can be found in the `documentation <https://csbiology.github.io/ProteomIQon/tools/LabelFreeProteinQuantification.html>`_. \n+ ]]>\n+ </help>\n+</tool>\n\\ No newline at end of file\n' |
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| diff -r 000000000000 -r 39fa1ddd587d test-data/result_1.json --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/result_1.json Wed Oct 13 18:45:16 2021 +0000 |
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| @@ -0,0 +1,21 @@ + + + { + "ModificationFilter": { + "Case": "All", + }, + "AggregatePeptideChargeStatesParams": null, + "AggregateModifiedPeptidesParams": null, + "AggregateToProteinGroupsParams": { + "Transform": null, + "SingleFilters": null, + "GroupFilters": null, + "Aggregation": { + "Light": { + "Case": "Mean" + } + } + }, + } + + \ No newline at end of file |
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| diff -r 000000000000 -r 39fa1ddd587d test-data/result_2.json --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/result_2.json Wed Oct 13 18:45:16 2021 +0000 |
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| b'@@ -0,0 +1,241 @@\n+\n+ \n+ {\n+ "ModificationFilter": {\n+ "Case": "No",\n+ },\n+ "AggregatePeptideChargeStatesParams": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Transform": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Case": "Log2",\n+ }\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "SingleFilters": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ [\n+ {\n+ "Case": "IsBiggerThan",\n+ "Fields": [\n+ 1.0 \n+ ]\n+ },\n+ {\n+ "Case": "IsSmallerThan",\n+ "Fields": [\n+ 2.0 \n+ ]\n+ }\n+ ]\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "GroupFilters": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ [\n+ {\n+ "Case": "Tukey",\n+ "Fields": [\n+ 1.0\n+ ]\n+ },\n+ {\n+ "Case": "Stdev",\n+ "Fields": [\n+ 2.0\n+ ]\n+ }\n+ ]\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "Aggregation": {\n+ "Light": {\n+ "Case": "Median"\n+ '..b' ]\n+ }\n+ ]\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "Aggregation": {\n+ "Light": {\n+ "Case": "Median"\n+ }\n+ }\n+ }\n+ ] \n+ },\n+ "AggregateToProteinGroupsParams": {\n+ "Transform": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Case": "Log2",\n+ }\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "SingleFilters": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ [\n+ {\n+ "Case": "IsBiggerThan",\n+ "Fields": [\n+ 1.0 \n+ ]\n+ },\n+ {\n+ "Case": "IsSmallerThan",\n+ "Fields": [\n+ 2.0 \n+ ]\n+ }\n+ ]\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "GroupFilters": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ [\n+ {\n+ "Case": "Tukey",\n+ "Fields": [\n+ 1.0\n+ ]\n+ },\n+ {\n+ "Case": "Stdev",\n+ "Fields": [\n+ 2.0\n+ ]\n+ }\n+ ]\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "Aggregation": {\n+ "Light": {\n+ "Case": "Median"\n+ }\n+ } \n+ },\n+ } \n+ \n+ \n\\ No newline at end of file\n' |
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| diff -r 000000000000 -r 39fa1ddd587d test-data/result_3.json --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/result_3.json Wed Oct 13 18:45:16 2021 +0000 |
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| b'@@ -0,0 +1,198 @@\n+\n+ \n+ {\n+ "ModificationFilter": {\n+ "Case": "UseOnly",\n+ "Fields": [\n+ [\n+ {\n+ "Case": "Acetylation\'ProtNTerm\'"\n+ },\n+ {\n+ "Case": "Carbamidomethyl\'Cys\'"\n+ },\n+ {\n+ "Case": "Oxidation\'Met\'"\n+ },\n+ {\n+ "Case": "Phosphorylation\'Ser\'Thr\'Tyr\'"\n+ },\n+ {\n+ "Case": "Pyro_Glu\'GluNterm\'"\n+ },\n+ {\n+ "Case": "Pyro_Glu\'GlnNterm\'"\n+ },\n+ ]\n+ ]\n+ },\n+ "AggregatePeptideChargeStatesParams": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Transform": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Case": "Substract",\n+ "Fields": [\n+ 2.0\n+ ]\n+ }\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "SingleFilters": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ [\n+ {\n+ "Case": "IsBiggerThan",\n+ "Fields": [\n+ 1.0 \n+ ]\n+ },\n+ ]\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "GroupFilters": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ [\n+ {\n+ "Case": "Stdev",\n+ "Fields": [\n+ 2.0\n+ ]\n+ }\n+ ]\n+ ]\n+ '..b' "Case": "Add",\n+ "Fields": [\n+ 2.0\n+ ]\n+ }\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "SingleFilters": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ [\n+ {\n+ "Case": "IsSmallerThan",\n+ "Fields": [\n+ 2.0 \n+ ]\n+ }\n+ ]\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "GroupFilters": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ [\n+ {\n+ "Case": "Tukey",\n+ "Fields": [\n+ 1.0\n+ ]\n+ },\n+ ]\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "Aggregation": {\n+ "Light": {\n+ "Case": "Sum"\n+ }\n+ }\n+ }\n+ ] \n+ },\n+ "AggregateToProteinGroupsParams": {\n+ "Transform": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Light": {\n+ "Case": "Some",\n+ "Fields": [\n+ {\n+ "Case": "DivideBy",\n+ "Fields": [\n+ 2.0\n+ ]\n+ }\n+ ]\n+ },\n+ }\n+ ]\n+ },\n+ "SingleFilters": null,\n+ "GroupFilters": null,\n+ "Aggregation": {\n+ "Light": {\n+ "Case": "Mean"\n+ }\n+ } \n+ },\n+ } \n+ \n+ \n\\ No newline at end of file\n' |
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| diff -r 000000000000 -r 39fa1ddd587d test-data/sample.quantAndProt --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/sample.quantAndProt Wed Oct 13 18:45:16 2021 +0000 |
| [ |
| b'@@ -0,0 +1,13 @@\n+FileName\tProteinGroup\tProteinGroup_QValue\tStringSequence\tPepSequenceID\tModSequenceID\tCharge\tGlobalMod\tPrecursorMZ\tMeasuredMass\tTheoMass\tAbsDeltaMass\tMeanPercolatorScore\tQValue\tPEPValue\tProteinNames\tQuantMz_Light\tQuant_Light\tMeasuredApex_Light\tSeo_Light\tParams_Light\tDifference_SearchRT_FittedRT_Light\tKLDiv_Observed_Theoretical_Light\tKLDiv_CorrectedObserved_Theoretical_Light\tQuantMz_Heavy\tQuant_Heavy\tMeasuredApex_Heavy\tSeo_Heavy\tParams_Heavy\tDifference_SearchRT_FittedRT_Heavy\tKLDiv_Observed_Theoretical_Heavy\tKLDiv_CorrectedObserved_Theoretical_Heavy\tCorrelation_Light_Heavy\tQuantificationSource\tIsotopicPatternMz_Light\tIsotopicPatternIntensity_Observed_Light\tIsotopicPatternIntensity_Corrected_Light\tRtTrace_Light\tIntensityTrace_Observed_Light\tIntensityTrace_Corrected_Light\tIsotopicPatternMz_Heavy\tIsotopicPatternIntensity_Observed_Heavy\tIsotopicPatternIntensity_Corrected_Heavy\tRtTrace_Heavy\tIntensityTrace_Observed_Heavy\tIntensityTrace_Corrected_Heavy\n+Galaxy104-[HYE124_TTOF6600_DDA_1ug_Ecoli_lgillet_I150212_001.mzML]\tP0ACG1\t0\tADGINPEELLGNSSAAAPR\t201186\t496415\t3\t0\t627.9791917363045\t1880.9157458084835\t1880.92281879016\t0.007072981676401469\t27.123937606811523\t0\t0.002891455652662691\tP0ACG1\t627.9791917363045\t2800.044190914148\t7306.982208508748\t597.1140223093846\t8109.861419219218;82.06896519763045;0.13774045658792775\t-0.07556519763045344\t0.01596256310525423\t0.023736834811431205\tNaN\tNaN\tNaN\tNaN\t\tNaN\tNaN\tNaN\tNaN\tPSM\t627.9808624404097;628.3155190116128;628.646802096179\t0.3183042787047512;0.45858611394152016;0.22310960735372865\t0.3143631148720035;0.4914319409801193;0.19420494414787726\t80.000633333333;80.1283;80.1918;80.255633333333;80.319116666667;80.38295;80.446783333333;80.510283333333;80.573933333333;80.637266666667;80.700266666667;80.7626;80.825433333333;80.952416666667;81.015916666667;81.079416666667;81.14275;81.206233333333;81.269733333333;81.3334;81.3969;81.460233333333;81.523383333333;81.58655;81.649883333333;81.713033333333;81.77605;81.838866666667;81.902033333333;81.965366666667;82.0277;82.089683333333;82.151516666667;82.213516666667;82.275666666667;82.338;82.400833333333;82.464;82.527666666667;82.59115;82.654816666667;82.71865;82.78215;82.845633333333;82.909316666667;82.972633333333;83.099966666667;83.163466666667;83.22645;83.28945;83.352283333333;83.415266666667;83.478766666667;83.542266666667;83.6061;83.73325;83.79675;83.860083333333;83.923583333333;83.9869\t2555.161376953125;0;3504.65771484375;9990.6650390625;21912.60546875;65444.88671875;90415.71875;83415.03125;42542.9140625;13058.21484375;3814.879638671875;3493.233154296875;2163.113037109375;1048.3873291015625;1421.603515625;2124.924560546875;2246.527099609375;1739.5709228515625;3076.027587890625;2232.805908203125;2186.531982421875;1436.9261474609375;1271.875732421875;1816.2874755859375;2279.58544921875;1857.84228515625;2863.480224609375;4091.864990234375;6306.556640625;8370.7958984375;10323.6552734375;9338.7685546875;8876.3408203125;6872.29541015625;3808.4013671875;4001.625244140625;1566.61962890625;2255.5078125;516.098876953125;1195.8431396484375;2531.072509765625;1661.6239013671875;4361.4404296875;15266.92578125;57596.9453125;115323.4609375;0;0;0;0;0;0;0;0;9858.28125;0;0;0;0;0\t0;0;0;5978.274821592684;17971.087922668186;61574.260828865416;86616.0083860149;79686.26208779661;38885.10925334012;9471.391029961862;299.0450093947061;48.38697191134406;0;0;0;0;0;0;127.43367204615743;0;0;0;0;0;0;0;479.6755965407315;1778.501006819285;4063.6106690133224;6198.249556754909;8221.494227604948;7306.982208508748;6914.9219043994035;4981.239616579647;1987.7070037311212;2251.292985239107;0;645.910742509687;0;0;1132.6399127439745;333.6074378778094;3103.8597567966144;14079.80394410156;56480.30858912271;114277.3381348171;0;0;0;0;0;0;0;0;9447.523418148958;0;0;0;0;0\t\t\t\t\t\t\n+Galaxy104-[HYE124_TTOF6600_DDA_1ug_Ecoli_lgillet_I150212_001.mzML]\tP0ACG1\t0\tEFSIDVLEEMLEK\t201189\t496420\t2\t0\t791.3887547036785\t1580.762956473737\t1580.76437613404\t0.0014196603030995902\t25.120275497436523\t0\t0.00362207'..b'6666667;47.0644;47.1264;47.188066666667;47.250716666667;47.31355;47.376383333333;47.438383333333;47.5002;47.562366666667;47.624033333333;47.6862;47.747866666667;47.810016666667;47.933683333333;47.996016666667;48.058666666667;48.121166666667;48.182833333333;48.244166666667;48.305666666667;48.366983333333;48.428983333333;48.49115;48.553316666667;48.615133333333;48.7393;48.801633333333;48.863966666667;48.92595;48.987783333333;49.04995;49.112783333333;49.175616666667;49.300766666667;49.362266666667;49.423766666667;49.48525;49.60875;49.671083333333;49.79625;49.858733333333;49.921566666667;49.9844;50.046716666667;50.108733333333;50.232383333333;50.35705;50.418866666667;50.4807;50.5427;50.605033333333;50.667683333333;50.730516666667;50.793516666667;50.856516666667\t0;0;0;0;0;0;0;0;0;154.6994171142578;150.56463623046875;123.25760650634766;78.97238159179688;300.8324890136719;111.59588623046875;310.4272155761719;100.08187866210938;100.81901550292969;97.86841583251953;0;541.4420166015625;17.71348762512207;131.8187255859375;111.89118194580078;120.45211791992188;155.58535766601562;356.0449523925781;1781.6976318359375;3521.769287109375;11587.767578125;31280.2734375;47260.44921875;41716.41796875;19959.58203125;4697.6015625;0;0;0;154.99293518066406;0;185.69825744628906;0;0;5.314046382904053;0;0;330.0611267089844;146.28529357910156;0;602.551513671875;1186.0701904296875;5172.8125;14920.3056640625;39019.66015625;60144.99609375;6274.7431640625;1253.964599609375\t400.37910139103116;368.09137910609223;335.8036368021983;303.51583605582596;271.2279216532704;238.93982320503522;206.65145676022775;174.36272642096407;142.07352595678785;264.4831575333643;228.05788398611992;168.45951919634297;91.88197013461492;281.44860922549435;59.91723423108202;226.4523137165365;0;0;0;0;295.95770162156725;0;0;0;0;0;0;1310.0368394050208;3017.8021660140466;11051.498821656187;30711.708856817524;46659.595190307635;41083.279898710025;19294.162022503453;3999.8963605026656;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;0;3921.7562678236054;13636.419879547793;37702.93693371837;58795.43246384266;4892.339188593676;0\t\t\t\t\t\t\n+Galaxy104-[HYE124_TTOF6600_DDA_1ug_Ecoli_lgillet_I150212_001.mzML]\tP0ACG1\t0\t[ac]SVMLQSLNNIR\t201190\t496434\t2\t0\t658.8514608677964\t1315.6883688019727\t1315.6918203343898\t0.0034515324171024986\t21.739656448364258\t0.00012962602890660444\t0.005294717979612006\tP0ACG1\t658.8514608677964\t494.23213586744123\t1228.9225061446894\t619.0599016112824\t1194.538394393447;95.19540846159765;0.16505965505675113\t-0.2571084615976531\t0.4212403632749776\t0.42418291221924764\tNaN\tNaN\tNaN\tNaN\t\tNaN\tNaN\tNaN\tNaN\tPSM\t658.8449996528788;659.849553177578\t0.32878938645897027;0.6712106135410297\t0.32722814702678327;0.6727718529732167\t92.949716666667;93.013716666667;93.077883333333;93.141866666667;93.205866666667;93.269533333333;93.333366666667;93.3972;93.52485;93.588683333333;93.7165;93.780166666667;93.843833333333;93.907666666667;93.97165;94.035333333333;94.09915;94.16315;94.227483333333;94.289633333333;94.351966666667;94.476966666667;94.5403;94.604116666667;94.668116666667;94.731783333333;94.795283333333;94.858933333333;94.9211;95.043933333333;95.167766666667;95.293583333333;95.35725;95.484066666667;95.547566666667;95.611233333333;95.674733333333;95.80205;95.865716666667;95.929383333333;95.993366666667;96.0572;96.1212;96.184866666667;96.248533333333;96.312183333333;96.376016666667;96.504183333333;96.568;96.631833333333;96.6955;96.823316666667;96.887316666667\t0;0;0;0;0;0;0;695.8947143554688;0;1678.5333251953125;0;0;0;0;0;0;0;0;0;0;1011.1234130859375;0;0;0;0;0;0;0;222.95326232910156;910.5634155273438;1431.796142578125;0;1814.614990234375;0;0;0;244.9431915283203;0;0;0;0;0;0;0;0;0;469.1609802246094;0;0;0;2682.26171875;2206.258544921875;0\t0;0;0;0;0;0;0;690.4669823786886;0;1671.873396248367;0;0;0;0;0;0;0;0;0;0;997.672701899161;0;0;0;0;0;0;0;204.52689540876924;891.5126004625985;1412.1204547607808;0;1793.6882288747624;0;0;0;221.50670056909257;0;0;0;0;0;0;0;0;0;439.3791483413522;0;0;0;2649.9175357712543;2173.2731766953893;0\t\t\t\t\t\t\n' |