mspire 0.5.0 → 0.6.1
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- data/README.rdoc +24 -0
- data/Rakefile +51 -0
- data/VERSION +1 -0
- data/lib/cv/description.rb +18 -0
- data/lib/cv/param.rb +33 -0
- data/lib/cv.rb +3 -0
- data/lib/io/bookmark.rb +13 -0
- data/lib/merge.rb +7 -0
- data/lib/ms/cvlist.rb +76 -0
- data/lib/ms/digester.rb +245 -0
- data/lib/ms/fasta.rb +86 -0
- data/lib/ms/ident/peptide/db.rb +243 -0
- data/lib/ms/ident/peptide.rb +72 -0
- data/lib/ms/ident/peptide_hit/qvalue.rb +56 -0
- data/lib/ms/ident/peptide_hit.rb +26 -0
- data/lib/ms/ident/pepxml/modifications.rb +83 -0
- data/lib/ms/ident/pepxml/msms_pipeline_analysis.rb +70 -0
- data/lib/ms/ident/pepxml/msms_run_summary.rb +82 -0
- data/lib/ms/ident/pepxml/parameters.rb +14 -0
- data/lib/ms/ident/pepxml/sample_enzyme.rb +165 -0
- data/lib/ms/ident/pepxml/search_database.rb +49 -0
- data/lib/ms/ident/pepxml/search_hit/modification_info.rb +79 -0
- data/lib/ms/ident/pepxml/search_hit.rb +144 -0
- data/lib/ms/ident/pepxml/search_result.rb +35 -0
- data/lib/ms/ident/pepxml/search_summary.rb +92 -0
- data/lib/ms/ident/pepxml/spectrum_query.rb +85 -0
- data/lib/ms/ident/pepxml.rb +112 -0
- data/lib/ms/ident/protein.rb +33 -0
- data/lib/ms/ident/protein_group.rb +80 -0
- data/lib/ms/ident/search.rb +114 -0
- data/lib/ms/ident.rb +37 -0
- data/lib/ms/isotope/aa.rb +59 -0
- data/lib/ms/mascot.rb +6 -0
- data/lib/ms/mass/aa.rb +79 -0
- data/lib/ms/mass.rb +55 -0
- data/lib/ms/mzml/index_list.rb +98 -0
- data/lib/ms/mzml/plms1.rb +34 -0
- data/lib/ms/mzml.rb +197 -0
- data/lib/ms/obo.rb +38 -0
- data/lib/ms/plms1.rb +156 -0
- data/lib/ms/quant/qspec/protein_group_comparison.rb +22 -0
- data/lib/ms/quant/qspec.rb +112 -0
- data/lib/ms/spectrum.rb +154 -8
- data/lib/ms.rb +3 -10
- data/lib/msplat.rb +2 -0
- data/lib/obo/ims.rb +5 -0
- data/lib/obo/ms.rb +7 -0
- data/lib/obo/ontology.rb +41 -0
- data/lib/obo/unit.rb +5 -0
- data/lib/openany.rb +23 -0
- data/lib/write_file_or_string.rb +18 -0
- data/obo/ims.obo +562 -0
- data/obo/ms.obo +11677 -0
- data/obo/unit.obo +2563 -0
- data/spec/ms/cvlist_spec.rb +60 -0
- data/spec/ms/digester_spec.rb +351 -0
- data/spec/ms/fasta_spec.rb +100 -0
- data/spec/ms/ident/peptide/db_spec.rb +108 -0
- data/spec/ms/ident/pepxml/sample_enzyme_spec.rb +181 -0
- data/spec/ms/ident/pepxml/search_hit/modification_info_spec.rb +37 -0
- data/spec/ms/ident/pepxml_spec.rb +442 -0
- data/spec/ms/ident/protein_group_spec.rb +68 -0
- data/spec/ms/mass_spec.rb +8 -0
- data/spec/ms/mzml/index_list_spec.rb +122 -0
- data/spec/ms/mzml/plms1_spec.rb +62 -0
- data/spec/ms/mzml_spec.rb +50 -0
- data/spec/ms/plms1_spec.rb +38 -0
- data/spec/ms/quant/qspec_spec.rb +25 -0
- data/spec/msplat_spec.rb +24 -0
- data/spec/obo_spec.rb +25 -0
- data/spec/spec_helper.rb +25 -0
- data/spec/testfiles/ms/ident/peptide/db/uni_11_sp_tr.fasta +69 -0
- data/spec/testfiles/ms/ident/peptide/db/uni_11_sp_tr.msd_clvg2.min_aaseq4.yml +728 -0
- data/spec/testfiles/ms/mzml/j24z.idx_comp.3.mzML +271 -0
- data/spec/testfiles/ms/mzml/openms.noidx_nocomp.12.mzML +330 -0
- data/spec/testfiles/ms/quant/kill_extra_tabs.rb +13 -0
- data/spec/testfiles/ms/quant/max_quant_output.provenance.txt +15 -0
- data/spec/testfiles/ms/quant/max_quant_output.txt +199 -0
- data/spec/testfiles/ms/quant/pdcd5_final.killedextratabs.tsv +199 -0
- data/spec/testfiles/ms/quant/pdcd5_final.killedextratabs.tsv_qspecgp +199 -0
- data/spec/testfiles/ms/quant/pdcd5_final.killedextratabs.tsv_qspecgp.csv +199 -0
- data/spec/testfiles/ms/quant/pdcd5_final.txt +199 -0
- data/spec/testfiles/ms/quant/pdcd5_final.txt_qspecgp +0 -0
- data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.CSV.csv +199 -0
- data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.csv +199 -0
- data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.csv +199 -0
- data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.tsv +199 -0
- data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.tsv_qspecgp +199 -0
- data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.oneprot.tsv_qspecgp.csv +199 -0
- data/spec/testfiles/ms/quant/pdcd5_lfq_qspec.txt +199 -0
- data/spec/testfiles/ms/quant/pdcd5_lfq_tabdel.txt +134 -0
- data/spec/testfiles/ms/quant/pdcd5_lfq_tabdel.txt_qspecgp +134 -0
- data/spec/testfiles/ms/quant/remove_rest_of_proteins.rb +13 -0
- data/spec/testfiles/ms/quant/unlog_transform.rb +13 -0
- data/spec/testfiles/plms1/output.key +0 -0
- metadata +157 -40
- data/README +0 -77
- data/changelog.txt +0 -196
- data/lib/ms/calc.rb +0 -32
- data/lib/ms/data/interleaved.rb +0 -60
- data/lib/ms/data/lazy_io.rb +0 -73
- data/lib/ms/data/lazy_string.rb +0 -15
- data/lib/ms/data/simple.rb +0 -59
- data/lib/ms/data/transposed.rb +0 -41
- data/lib/ms/data.rb +0 -57
- data/lib/ms/format/format_error.rb +0 -12
- data/lib/ms/support/binary_search.rb +0 -126
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<?xml version="1.0" encoding="ISO-8859-1"?>
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<mzML xmlns="http://psi.hupo.org/ms/mzml" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://psi.hupo.org/ms/mzml http://psidev.info/files/ms/mzML/xsd/mzML1.1.0.xsd" accession="" version="1.1.0">
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<cvList count="2">
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<cv id="MS" fullName="Proteomics Standards Initiative Mass Spectrometry Ontology" URI="http://psidev.cvs.sourceforge.net/*checkout*/psidev/psi/psi-ms/mzML/controlledVocabulary/psi-ms.obo"/>
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<cv id="UO" fullName="Unit Ontology" URI="http://obo.cvs.sourceforge.net/obo/obo/ontology/phenotype/unit.obo"/>
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</cvList>
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<fileDescription>
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<fileContent>
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<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
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</fileContent>
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<sourceFileList count="1">
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<sourceFile id="sf_ru_0" name="file://CHEMBRI-EXTZA1B/t/Mouse_brain_Phosphoproteomics/may062011/11_110506125210.raw" location="">
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<cvParam cvRef="MS" accession="MS:1000569" name="SHA-1" value="826a6634f11d0bfd1948d06ecd033ce935175b0c" />
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<cvParam cvRef="MS" accession="MS:1000564" name="PSI mzData file" />
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<cvParam cvRef="MS" accession="MS:1000777" name="spectrum identifier nativeID format" />
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</sourceFile>
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</sourceFileList>
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</fileDescription>
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<sampleList count="1">
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<sample id="sa_0" name="">
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<cvParam cvRef="MS" accession="MS:1000004" name="sample mass" value="0" unitAccession="UO:0000021" unitName="gram" unitCvRef="UO" />
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<cvParam cvRef="MS" accession="MS:1000005" name="sample volume" value="0" unitAccession="UO:0000098" unitName="milliliter" unitCvRef="UO" />
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<cvParam cvRef="MS" accession="MS:1000006" name="sample concentration" value="0" unitAccession="UO:0000175" unitName="gram per liter" unitCvRef="UO" />
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</sample>
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</sampleList>
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<softwareList count="5">
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<software id="so_in_0" version="2.5.5" >
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<cvParam cvRef="MS" accession="MS:1000532" name="Xcalibur" />
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</software>
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<software id="so_default" version="" >
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<cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="" />
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</software>
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<software id="so_dp_sp_0_pm_0" version="4.3.1(build Sep 9 2009 12:30:29)" >
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<cvParam cvRef="MS" accession="MS:1000541" name="ReAdW" />
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</software>
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<software id="so_dp_sp_0_pm_1" version="1.7.0" >
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<cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="SpectrumCanvas" />
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</software>
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<software id="so_dp_sp_0_pm_2" version="1.7.0" >
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<cvParam cvRef="MS" accession="MS:1000799" name="custom unreleased software tool" value="SpectrumCanvas" />
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</software>
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</softwareList>
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<instrumentConfigurationList count="1">
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<instrumentConfiguration id="ic_0">
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<cvParam cvRef="MS" accession="MS:1000031" name="instrument model" />
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<componentList count="3">
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<source order="0">
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<cvParam cvRef="MS" accession="MS:1000008" name="ionization type" />
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</source>
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<analyzer order="0">
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<cvParam cvRef="MS" accession="MS:1000014" name="accuracy" value="0" unitAccession="UO:0000169" unitName="parts per million" unitCvRef="UO" />
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<cvParam cvRef="MS" accession="MS:1000022" name="TOF Total Path Length" value="0" unitAccession="UO:0000008" unitName="meter" unitCvRef="UO" />
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<cvParam cvRef="MS" accession="MS:1000024" name="final MS exponent" value="0" />
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<cvParam cvRef="MS" accession="MS:1000025" name="magnetic field strength" value="0" unitAccession="UO:0000228" unitName="tesla" unitCvRef="UO" />
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<cvParam cvRef="MS" accession="MS:1000443" name="mass analyzer type" />
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</analyzer>
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<detector order="0">
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<cvParam cvRef="MS" accession="MS:1000028" name="detector resolution" value="0" />
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<cvParam cvRef="MS" accession="MS:1000029" name="sampling frequency" value="0" unitAccession="UO:0000106" unitName="hertz" unitCvRef="UO" />
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<cvParam cvRef="MS" accession="MS:1000026" name="detector type" />
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</detector>
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</componentList>
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<softwareRef ref="so_in_0" />
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</instrumentConfiguration>
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</instrumentConfigurationList>
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<dataProcessingList count="1">
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<dataProcessing id="dp_sp_0">
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<processingMethod order="0" softwareRef="so_dp_sp_0_pm_0">
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<cvParam cvRef="MS" accession="MS:1000035" name="peak picking" />
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<userParam name="#type" type="xsd:string" value="conversion"/>
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</processingMethod>
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<processingMethod order="0" softwareRef="so_dp_sp_0_pm_1">
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<cvParam cvRef="MS" accession="MS:1001486" name="data filtering" />
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<cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2011-05-19+20:22" />
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</processingMethod>
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<processingMethod order="0" softwareRef="so_dp_sp_0_pm_2">
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<cvParam cvRef="MS" accession="MS:1001486" name="data filtering" />
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<cvParam cvRef="MS" accession="MS:1000747" name="completion time" value="2011-06-10+09:32" />
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</processingMethod>
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</dataProcessing>
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</dataProcessingList>
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<run id="ru_0" defaultInstrumentConfigurationRef="ic_0" sampleRef="sa_0" defaultSourceFileRef="sf_ru_0">
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<spectrumList count="12" defaultDataProcessingRef="dp_sp_0">
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<spectrum id="scan=10929" index="0" defaultArrayLength="0" dataProcessingRef="dp_sp_0">
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<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
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<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
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<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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<scanList count="1">
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<cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
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<scan >
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<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6604.58" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
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</scan>
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</scanList>
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</spectrum>
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<spectrum id="scan=10930" index="1" defaultArrayLength="0">
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<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
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<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2" />
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<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
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<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
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<cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
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<scan >
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</scan>
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<precursor>
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<isolationWindow>
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<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="696.86376953" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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<cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="0" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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<cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="0" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
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<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2" />
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</selectedIon>
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<activation>
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<cvParam cvRef="MS" accession="MS:1000509" name="activation energy" value="0" unitAccession="UO:0000266" unitName="electronvolt" unitCvRef="UO" />
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<cvParam cvRef="MS" accession="MS:1000044" name="dissociation method" />
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</activation>
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</precursor>
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</spectrum>
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<spectrum id="scan=10931" index="2" defaultArrayLength="0">
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<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
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<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
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<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
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<scan >
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</spectrum>
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<spectrum id="scan=10932" index="3" defaultArrayLength="0">
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<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
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<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
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<scan >
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<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6606.48" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
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</scan>
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<isolationWindow>
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</isolationWindow>
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<selectedIonList count="1">
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<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2" />
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<activation>
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<cvParam cvRef="MS" accession="MS:1000509" name="activation energy" value="0" unitAccession="UO:0000266" unitName="electronvolt" unitCvRef="UO" />
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<cvParam cvRef="MS" accession="MS:1000044" name="dissociation method" />
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</activation>
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</spectrum>
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<spectrum id="scan=10933" index="4" defaultArrayLength="0">
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<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
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<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
|
176
|
+
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|
177
|
+
<scanList count="1">
|
178
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
|
179
|
+
<scan >
|
180
|
+
<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6606.98" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
|
181
|
+
</scan>
|
182
|
+
</scanList>
|
183
|
+
</spectrum>
|
184
|
+
<spectrum id="scan=10934" index="5" defaultArrayLength="0">
|
185
|
+
<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
|
186
|
+
<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2" />
|
187
|
+
<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
|
188
|
+
<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
|
189
|
+
<scanList count="1">
|
190
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
|
191
|
+
<scan >
|
192
|
+
<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6607.53" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
|
193
|
+
</scan>
|
194
|
+
</scanList>
|
195
|
+
<precursorList count="1">
|
196
|
+
<precursor>
|
197
|
+
<isolationWindow>
|
198
|
+
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="647.30865479" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
|
199
|
+
<cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="0" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
|
200
|
+
<cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="0" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
|
201
|
+
</isolationWindow>
|
202
|
+
<selectedIonList count="1">
|
203
|
+
<selectedIon>
|
204
|
+
<cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="647.30865479" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
|
205
|
+
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="2" />
|
206
|
+
<cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="363399" unitAccession="MS:1000132" unitName="percent of base peak" unitCvRef="MS" />
|
207
|
+
</selectedIon>
|
208
|
+
</selectedIonList>
|
209
|
+
<activation>
|
210
|
+
<cvParam cvRef="MS" accession="MS:1000509" name="activation energy" value="0" unitAccession="UO:0000266" unitName="electronvolt" unitCvRef="UO" />
|
211
|
+
<cvParam cvRef="MS" accession="MS:1000044" name="dissociation method" />
|
212
|
+
</activation>
|
213
|
+
</precursor>
|
214
|
+
</precursorList>
|
215
|
+
</spectrum>
|
216
|
+
<spectrum id="scan=10935" index="6" defaultArrayLength="0">
|
217
|
+
<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
|
218
|
+
<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
|
219
|
+
<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
|
220
|
+
<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
|
221
|
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<scanList count="1">
|
222
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
|
223
|
+
<scan >
|
224
|
+
<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6607.93" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
|
225
|
+
</scan>
|
226
|
+
</scanList>
|
227
|
+
</spectrum>
|
228
|
+
<spectrum id="scan=10936" index="7" defaultArrayLength="0">
|
229
|
+
<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
|
230
|
+
<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2" />
|
231
|
+
<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
|
232
|
+
<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
|
233
|
+
<scanList count="1">
|
234
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
|
235
|
+
<scan >
|
236
|
+
<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6608.49" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
|
237
|
+
</scan>
|
238
|
+
</scanList>
|
239
|
+
<precursorList count="1">
|
240
|
+
<precursor>
|
241
|
+
<isolationWindow>
|
242
|
+
<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="640.64752197" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
|
243
|
+
<cvParam cvRef="MS" accession="MS:1000828" name="isolation window lower offset" value="0" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
|
244
|
+
<cvParam cvRef="MS" accession="MS:1000829" name="isolation window upper offset" value="0" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
|
245
|
+
</isolationWindow>
|
246
|
+
<selectedIonList count="1">
|
247
|
+
<selectedIon>
|
248
|
+
<cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="640.64752197" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
|
249
|
+
<cvParam cvRef="MS" accession="MS:1000041" name="charge state" value="3" />
|
250
|
+
<cvParam cvRef="MS" accession="MS:1000042" name="peak intensity" value="237991" unitAccession="MS:1000132" unitName="percent of base peak" unitCvRef="MS" />
|
251
|
+
</selectedIon>
|
252
|
+
</selectedIonList>
|
253
|
+
<activation>
|
254
|
+
<cvParam cvRef="MS" accession="MS:1000509" name="activation energy" value="0" unitAccession="UO:0000266" unitName="electronvolt" unitCvRef="UO" />
|
255
|
+
<cvParam cvRef="MS" accession="MS:1000044" name="dissociation method" />
|
256
|
+
</activation>
|
257
|
+
</precursor>
|
258
|
+
</precursorList>
|
259
|
+
</spectrum>
|
260
|
+
<spectrum id="scan=10937" index="8" defaultArrayLength="0">
|
261
|
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<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
|
262
|
+
<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
|
263
|
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<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
|
264
|
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<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
|
265
|
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<scanList count="1">
|
266
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
|
267
|
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<scan >
|
268
|
+
<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6608.92" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
|
269
|
+
</scan>
|
270
|
+
</scanList>
|
271
|
+
</spectrum>
|
272
|
+
<spectrum id="scan=10938" index="9" defaultArrayLength="0">
|
273
|
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<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
|
274
|
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<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="2" />
|
275
|
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<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
|
276
|
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<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
|
277
|
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<scanList count="1">
|
278
|
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|
279
|
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<scan >
|
280
|
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<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6609.49" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
|
281
|
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</scan>
|
282
|
+
</scanList>
|
283
|
+
<precursorList count="1">
|
284
|
+
<precursor>
|
285
|
+
<isolationWindow>
|
286
|
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<cvParam cvRef="MS" accession="MS:1000827" name="isolation window target m/z" value="460.55426025" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
|
287
|
+
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|
288
|
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|
289
|
+
</isolationWindow>
|
290
|
+
<selectedIonList count="1">
|
291
|
+
<selectedIon>
|
292
|
+
<cvParam cvRef="MS" accession="MS:1000744" name="selected ion m/z" value="460.55426025" unitAccession="MS:1000040" unitName="m/z" unitCvRef="MS" />
|
293
|
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|
294
|
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|
295
|
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</selectedIon>
|
296
|
+
</selectedIonList>
|
297
|
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<activation>
|
298
|
+
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|
299
|
+
<cvParam cvRef="MS" accession="MS:1000044" name="dissociation method" />
|
300
|
+
</activation>
|
301
|
+
</precursor>
|
302
|
+
</precursorList>
|
303
|
+
</spectrum>
|
304
|
+
<spectrum id="scan=10939" index="10" defaultArrayLength="0">
|
305
|
+
<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
|
306
|
+
<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
|
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|
+
<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
|
308
|
+
<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
|
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|
+
<scanList count="1">
|
310
|
+
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|
311
|
+
<scan >
|
312
|
+
<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6609.94" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
|
313
|
+
</scan>
|
314
|
+
</scanList>
|
315
|
+
</spectrum>
|
316
|
+
<spectrum id="scan=10940" index="11" defaultArrayLength="0">
|
317
|
+
<cvParam cvRef="MS" accession="MS:1000525" name="spectrum representation" />
|
318
|
+
<cvParam cvRef="MS" accession="MS:1000511" name="ms level" value="1" />
|
319
|
+
<cvParam cvRef="MS" accession="MS:1000294" name="mass spectrum" />
|
320
|
+
<cvParam cvRef="MS" accession="MS:1000130" name="positive scan" />
|
321
|
+
<scanList count="1">
|
322
|
+
<cvParam cvRef="MS" accession="MS:1000795" name="no combination" />
|
323
|
+
<scan >
|
324
|
+
<cvParam cvRef="MS" accession="MS:1000016" name="scan start time" value="6610.53" unitAccession="UO:0000010" unitName="second" unitCvRef="UO" />
|
325
|
+
</scan>
|
326
|
+
</scanList>
|
327
|
+
</spectrum>
|
328
|
+
</spectrumList>
|
329
|
+
</run>
|
330
|
+
</mzML>
|
@@ -0,0 +1,13 @@
|
|
1
|
+
#!/usr/bin/env ruby
|
2
|
+
|
3
|
+
file = ARGV.shift
|
4
|
+
|
5
|
+
base = file.chomp(File.extname(file))
|
6
|
+
|
7
|
+
File.open(base + '.killedextratabs.tsv','w') do |out|
|
8
|
+
IO.foreach(file) do |line|
|
9
|
+
data = line.chomp.split("\t")
|
10
|
+
data = data[0,data.rindex {|v| !v.nil? }+1]
|
11
|
+
out.puts data.join("\t")
|
12
|
+
end
|
13
|
+
end
|
@@ -0,0 +1,15 @@
|
|
1
|
+
To get this file, used MaxQuant 1.2.2.5
|
2
|
+
|
3
|
+
Used Perseus 1.2.0.17 to transform the data:
|
4
|
+
|
5
|
+
First removed contaminants
|
6
|
+
Then removed those that showed up in reverse search
|
7
|
+
Ln of LFQ intensities
|
8
|
+
Imputation of LFQ int (normal distr) so that there are no zeros [ Width 0.3 and Downshift 1.8 ]
|
9
|
+
|
10
|
+
Columns selected (included):
|
11
|
+
LFQ Intensities
|
12
|
+
MS/MS
|
13
|
+
Protein ID's
|
14
|
+
|
15
|
+
note, the file is really tab delimited
|