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view test-data/mr176-BSA100fmole_BA3_01_8168.d_tandem.pep.xml @ 15:0746a2ae9e04 draft
planemo upload for repository https://github.com/iracooke/protk-galaxytools/blob/master/tpp-prophets/.shed.yml commit 24e0fef2496984648a8a5cd5bff4d6b9b634a302-dirty
author | iracooke |
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date | Tue, 20 Oct 2015 20:45:24 -0400 |
parents | d90c8bc10a9c |
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<?xml version="1.0" encoding="UTF-8"?> <?xml-stylesheet type="text/xsl" href="pepXML_std.xsl"?> <msms_pipeline_analysis date="2014-06-22T13:57:05" summary_xml="/Users/icooke/Desktop/iptest/mr176-BSA100fmole_BA3_01_8168.d_tandem.pep.xml" xmlns="http://regis-web.systemsbiology.net/pepXML" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://sashimi.sourceforge.net/schema_revision/pepXML/pepXML_v117.xsd"> <msms_run_summary base_name="mr176-BSA100fmole_BA3_01_8168.d_tandem" search_engine="X! Tandem" raw_data_type="raw" raw_data=".?"> <sample_enzyme name="trypsin"> <specificity cut="KR" no_cut="P" sense="C"/> </sample_enzyme> <search_summary base_name="mr176-BSA100fmole_BA3_01_8168.d_tandem" search_engine="X! Tandem" precursor_mass_type="monoisotopic" fragment_mass_type="monoisotopic" search_id="1"> <search_database local_path="/Users/icooke/Desktop/iptest/AASequences.fasta" type="AA"/> <enzymatic_search_constraint enzyme="trypsin" max_num_internal_cleavages="2" min_number_termini="1" /> <aminoacid_modification aminoacid="E" massdiff="-18.0106" mass="111.0320" variable="Y" symbol="^" /><!--X! Tandem n-terminal AA variable modification--> <aminoacid_modification aminoacid="M" massdiff="15.9949" mass="147.0354" variable="Y" /> <aminoacid_modification aminoacid="Q" massdiff="-17.0265" mass="111.0321" variable="Y" symbol="^" /><!--X! Tandem n-terminal AA variable modification--> <terminal_modification terminus="n" massdiff="42.0106" mass="43.0184" protein_terminus="N" variable="Y" symbol="^" /><!--X! Tandem n-terminal AA variable modification--> <!-- Input parameters --> <parameter name="list path, default parameters" value="/Users/icooke/.rvm/gems/ruby-2.0.0-p353/gems/protk-1.2.6.pre6/lib/protk/data/tandem_isb_native_defaults.xml"/> <parameter name="list path, taxonomy information" value="/Users/icooke/Desktop/iptest/mr176-BSA100fmole_BA3_01_8168.d_tandem.taxonomy.xml"/> <parameter name="output, histogram column width" value="30"/> <parameter name="output, histograms" value="no"/> <parameter name="output, log path" value=""/> <parameter name="output, maximum valid expectation value" value="0.1"/> <parameter name="output, message" value="1234567890"/> <parameter name="output, one sequence copy" value="no"/> <parameter name="output, parameters" value="yes"/> <parameter name="output, path" value="/Users/icooke/Desktop/iptest/mr176-BSA100fmole_BA3_01_8168.d_tandem"/> <parameter name="output, path hashing" value="no"/> <parameter name="output, performance" value="yes"/> <parameter name="output, proteins" value="yes"/> <parameter name="output, results" value="all"/> <parameter name="output, sequence path" value=""/> <parameter name="output, sequences" value="no"/> <parameter name="output, sort results by" value="spectrum"/> <parameter name="output, spectra" value="no"/> <parameter name="output, xsl path" value="tandem-style.xsl"/> <parameter name="protein, C-terminal residue modification mass" value=""/> <parameter name="protein, N-terminal residue modification mass" value=""/> <parameter name="protein, cleavage C-terminal mass change" value=""/> <parameter name="protein, cleavage N-terminal mass change" value=""/> <parameter name="protein, cleavage semi" value="yes"/> <parameter name="protein, cleavage site" value="[RK]|{P}"/> <parameter name="protein, homolog management" value="no"/> <parameter name="protein, modified residue mass file" value=""/> <parameter name="protein, quick acetyl" value="yes"/> <parameter name="protein, taxon" value="AASequences.fasta"/> <parameter name="refine" value="no"/> <parameter name="refine, maximum valid expectation value" value="0.1"/> <parameter name="refine, sequence path" value=""/> <parameter name="refine, spectrum synthesis" value="yes"/> <parameter name="residue, modification mass" value=""/> <parameter name="residue, potential modification mass" value="15.994915@M"/> <parameter name="residue, potential modification motif" value=""/> <parameter name="scoring, a ions" value="no"/> <parameter name="scoring, b ions" value="yes"/> <parameter name="scoring, c ions" value="no"/> <parameter name="scoring, cyclic permutation" value="no"/> <parameter name="scoring, include reverse" value="no"/> <parameter name="scoring, maximum missed cleavage sites" value="2"/> <parameter name="scoring, minimum ion count" value="4"/> <parameter name="scoring, x ions" value="no"/> <parameter name="scoring, y ions" value="yes"/> <parameter name="scoring, z ions" value="no"/> <parameter name="spectrum, dynamic range" value="100.0"/> <parameter name="spectrum, fragment mass type" value="monoisotopic"/> <parameter name="spectrum, fragment monoisotopic mass error" value="0.4"/> <parameter name="spectrum, fragment monoisotopic mass error units" value="Daltons"/> <parameter name="spectrum, maximum parent charge" value="5"/> <parameter name="spectrum, minimum fragment mz" value="50.0"/> <parameter name="spectrum, minimum parent m+h" value="600.0"/> <parameter name="spectrum, minimum peaks" value="6"/> <parameter name="spectrum, parent monoisotopic mass error minus" value="100.0"/> <parameter name="spectrum, parent monoisotopic mass error plus" value="100.0"/> <parameter name="spectrum, parent monoisotopic mass error units" value="Daltons"/> <parameter name="spectrum, parent monoisotopic mass isotope error" value="no"/> <parameter name="spectrum, path" value="/Users/icooke/Desktop/iptest/mr176-BSA100fmole_BA3_01_8168.d.mgf"/> <parameter name="spectrum, sequence batch size" value="1000"/> <parameter name="spectrum, threads" value="1"/> <parameter name="spectrum, total peaks" value="50"/> <parameter name="spectrum, use conditioning" value="yes"/> <parameter name="spectrum, use noise suppression" value="no"/> <!-- Unused input parameters --> <parameter name="protein, use minimal annotations" value="yes"/> <parameter name="refine, modification mass" value=""/> <parameter name="refine, point mutations" value="no"/> <parameter name="refine, potential C-terminus modifications" value=""/> <parameter name="refine, potential N-terminus modifications" value=""/> <parameter name="refine, potential modification mass" value=""/> <parameter name="refine, potential modification motif" value=""/> <parameter name="refine, tic percent" value="10"/> <parameter name="refine, unanticipated cleavage" value="no"/> <parameter name="refine, use potential modifications for full refinement" value="no"/> <parameter name="scoring, pluggable scoring" value="no"/> <parameter name="spectrum, maximum parent m+h" value="4000.0"/> <!-- Performance parameters --> <parameter name="list path, sequence source #1" value="/Users/icooke/Desktop/iptest/AASequences.fasta"/> <parameter name="list path, sequence source description #1" value="no description"/> <parameter name="modelling, duplicate peptide ids" value="0"/> <parameter name="modelling, duplicate proteins" value="0"/> <parameter name="modelling, total peptides used" value="542390"/> <parameter name="modelling, total proteins used" value="33"/> <parameter name="modelling, total spectra used" value="118"/> <parameter name="process, start time" value="2014:06:22:13:57:05"/> <parameter name="process, version" value="X! Tandem Sledgehammer (2013.09.01.1)"/> <parameter name="quality values" value="12 10 7 2 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0"/> <parameter name="refining, # input models" value="0"/> <parameter name="refining, # input spectra" value="0"/> <parameter name="refining, # partial cleavage" value="0"/> <parameter name="refining, # point mutations" value="0"/> <parameter name="refining, # potential C-terminii" value="0"/> <parameter name="refining, # potential N-terminii" value="0"/> <parameter name="refining, # unanticipated cleavage" value="0"/> <parameter name="timing, initial modelling total (sec)" value="0.63"/> <parameter name="timing, initial modelling/spectrum (sec)" value="0.0053"/> <parameter name="timing, load sequence models (sec)" value="0.00"/> <parameter name="timing, refinement/spectrum (sec)" value="0.0000"/> </search_summary> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00001.00001.2" start_scan="1" end_scan="1" precursor_neutral_mass="1442.6899" assumed_charge="2" index="1"> <search_result> <search_hit hit_rank="1" peptide="DLIRQQCYLFN" peptide_prev_aa="K" peptide_next_aa="H" protein="sp|Q26604|SMOX5_SCHMA" protein_descr="Homeobox protein SMOX-5 OS=Schistosoma mansoni GN=SMOX-5 PE=2 SV=1" num_tot_proteins="1" num_matched_ions="6" tot_num_ions="20" calc_neutral_pep_mass="1393.6817" massdiff="49.008" num_tol_term="1" num_missed_cleavages="1" is_rejected="0"> <search_score name="hyperscore" value="19.0"/> <search_score name="nextscore" value="19.0"/> <search_score name="bscore" value="3.2"/> <search_score name="yscore" value="10.7"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="2.1"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00002.00002.3" start_scan="2" end_scan="2" precursor_neutral_mass="1248.6649" assumed_charge="3" index="2"> <search_result> <search_hit hit_rank="1" peptide="ANTNNYAPKSSR" peptide_prev_aa="A" peptide_next_aa="N" protein="sp|Q04787|BSH_DROME" protein_descr="Brain-specific homeobox protein OS=Drosophila melanogaster GN=bsh PE=2 SV=5" num_tot_proteins="1" num_matched_ions="7" tot_num_ions="44" calc_neutral_pep_mass="1303.6267" massdiff="-54.962" num_tol_term="1" num_missed_cleavages="1" is_rejected="0"> <search_score name="hyperscore" value="20.6"/> <search_score name="nextscore" value="20.6"/> <search_score name="bscore" value="9.2"/> <search_score name="yscore" value="10.3"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="2.8"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00003.00003.2" start_scan="3" end_scan="3" precursor_neutral_mass="1398.7025" assumed_charge="2" index="3"> <search_result> <search_hit hit_rank="1" peptide="NRAVFSLMQRR" peptide_prev_aa="W" peptide_next_aa="G" protein="sp|P28468|HOX1_HALRO" protein_descr="Homeobox protein AHox1 OS=Halocynthia roretzi GN=AHOX1 PE=2 SV=1" num_tot_proteins="1" num_matched_ions="7" tot_num_ions="20" calc_neutral_pep_mass="1374.7307" massdiff="23.972" num_tol_term="1" num_missed_cleavages="1" is_rejected="0"> <modification_info> <mod_aminoacid_mass position="8" mass="147.0354" /> </modification_info> <search_score name="hyperscore" value="19.6"/> <search_score name="nextscore" value="19.1"/> <search_score name="bscore" value="2.7"/> <search_score name="yscore" value="10"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="0.32"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00004.00004.2" start_scan="4" end_scan="4" precursor_neutral_mass="921.5162" assumed_charge="2" index="4"> <search_result> <search_hit hit_rank="1" peptide="YLASAERA" peptide_prev_aa="K" peptide_next_aa="A" protein="sp|O93367|TLX3_CHICK" protein_descr="T-cell leukemia homeobox protein 3 OS=Gallus gallus GN=TLX3 PE=2 SV=1" num_tot_proteins="1" num_matched_ions="7" tot_num_ions="14" calc_neutral_pep_mass="861.4347" massdiff="60.081" num_tol_term="1" num_missed_cleavages="0" is_rejected="0"> <search_score name="hyperscore" value="19.5"/> <search_score name="nextscore" value="18.5"/> <search_score name="bscore" value="5.9"/> <search_score name="yscore" value="9.8"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="1.8"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00005.00005.2" start_scan="5" end_scan="5" precursor_neutral_mass="1501.6666" assumed_charge="2" index="5"> <search_result> <search_hit hit_rank="1" peptide="FKTTRYLSVCER" peptide_prev_aa="K" peptide_next_aa="L" protein="sp|P22807|SLOU_DROME" protein_descr="Homeobox protein slou OS=Drosophila melanogaster GN=slou PE=2 SV=1" num_tot_proteins="1" num_matched_ions="8" tot_num_ions="22" calc_neutral_pep_mass="1483.7607" massdiff="17.906" num_tol_term="2" num_missed_cleavages="2" is_rejected="0"> <search_score name="hyperscore" value="22.1"/> <search_score name="nextscore" value="19.8"/> <search_score name="bscore" value="10.5"/> <search_score name="yscore" value="8.5"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="1.3"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00006.00006.3" start_scan="6" end_scan="6" precursor_neutral_mass="1748.7227" assumed_charge="3" index="6"> <search_result> <search_hit hit_rank="1" peptide="RQTAVGLELLAEAGNYSA" peptide_prev_aa="K" peptide_next_aa="L" protein="sp|O88181|BARH2_RAT" protein_descr="BarH-like 2 homeobox protein OS=Rattus norvegicus GN=Barhl2 PE=2 SV=1" num_tot_proteins="1" num_matched_ions="11" tot_num_ions="68" calc_neutral_pep_mass="1843.9427" massdiff="-95.220" num_tol_term="1" num_missed_cleavages="0" is_rejected="0"> <search_score name="hyperscore" value="21.5"/> <search_score name="nextscore" value="21.1"/> <search_score name="bscore" value="8.5"/> <search_score name="yscore" value="9.8"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="2.5"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00007.00007.2" start_scan="7" end_scan="7" precursor_neutral_mass="1160.4761" assumed_charge="2" index="7"> <search_result> <search_hit hit_rank="1" peptide="EEPETEVRM" peptide_prev_aa="K" peptide_next_aa="V" protein="sp|Q01702|DLX3B_DANRE" protein_descr="Homeobox protein Dlx3b OS=Danio rerio GN=dlx3b PE=2 SV=1" num_tot_proteins="1" num_matched_ions="6" tot_num_ions="16" calc_neutral_pep_mass="1100.4807" massdiff="59.995" num_tol_term="1" num_missed_cleavages="0" is_rejected="0"> <search_score name="hyperscore" value="23.1"/> <search_score name="nextscore" value="23.1"/> <search_score name="bscore" value="0"/> <search_score name="yscore" value="11.7"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="0.068"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00008.00008.2" start_scan="8" end_scan="8" precursor_neutral_mass="1106.5508" assumed_charge="2" index="8"> <search_result> <search_hit hit_rank="1" peptide="RQATSGMDLLS" peptide_prev_aa="K" peptide_next_aa="E" protein="sp|Q22909|HM30_CAEEL" protein_descr="Homeobox protein ceh-30 OS=Caenorhabditis elegans GN=ceh-30 PE=2 SV=2" num_tot_proteins="1" num_matched_ions="7" tot_num_ions="20" calc_neutral_pep_mass="1175.5607" massdiff="-69.010" num_tol_term="1" num_missed_cleavages="0" is_rejected="0"> <modification_info> <mod_aminoacid_mass position="7" mass="147.0354" /> </modification_info> <search_score name="hyperscore" value="19.2"/> <search_score name="nextscore" value="17.3"/> <search_score name="bscore" value="8.8"/> <search_score name="yscore" value="8"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="1.2"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00009.00009.2" start_scan="9" end_scan="9" precursor_neutral_mass="1746.7706" assumed_charge="2" index="9"> <search_result> <search_hit hit_rank="1" peptide="EQLAQLMPPTSQLPGM" peptide_prev_aa="R" peptide_next_aa="P" protein="sp|P34663|HM23_CAEEL" protein_descr="Homeobox protein ceh-23 OS=Caenorhabditis elegans GN=ceh-23 PE=2 SV=1" num_tot_proteins="1" num_matched_ions="6" tot_num_ions="30" calc_neutral_pep_mass="1753.8377" massdiff="-7.067" num_tol_term="1" num_missed_cleavages="0" is_rejected="0"> <modification_info> <mod_aminoacid_mass position="7" mass="147.0354" /> <mod_aminoacid_mass position="16" mass="147.0354" /> </modification_info> <search_score name="hyperscore" value="20.5"/> <search_score name="nextscore" value="20.5"/> <search_score name="bscore" value="0"/> <search_score name="yscore" value="9.1"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="1.8"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00010.00010.3" start_scan="10" end_scan="10" precursor_neutral_mass="1746.7642" assumed_charge="3" index="10"> <search_result> <search_hit hit_rank="1" peptide="SGMNMGGMGGLSSLGDVSK" peptide_prev_aa="S" peptide_next_aa="S" protein="tr|Q9YH59|Q9YH59_CHICK" protein_descr="Homeodomain protein NKx2.1 OS=Gallus gallus GN=NKx2.1 PE=2 SV=1" num_tot_proteins="1" num_matched_ions="8" tot_num_ions="72" calc_neutral_pep_mass="1813.7647" massdiff="-67.001" num_tol_term="1" num_missed_cleavages="0" is_rejected="0"> <modification_info> <mod_aminoacid_mass position="3" mass="147.0354" /> <mod_aminoacid_mass position="5" mass="147.0354" /> <mod_aminoacid_mass position="8" mass="147.0354" /> </modification_info> <search_score name="hyperscore" value="22.7"/> <search_score name="nextscore" value="21.6"/> <search_score name="bscore" value="11.1"/> <search_score name="yscore" value="6.9"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="2.5"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00011.00011.2" start_scan="11" end_scan="11" precursor_neutral_mass="1261.6340" assumed_charge="2" index="11"> <search_result> <search_hit hit_rank="1" peptide="FLVDDILRRK" peptide_prev_aa="S" peptide_next_aa="H" protein="tr|O16132|O16132_HYDVU" protein_descr="NK-2 class homeobox transcription factor OS=Hydra vulgaris GN=CnNK-2 PE=2 SV=1" num_tot_proteins="1" num_matched_ions="6" tot_num_ions="18" calc_neutral_pep_mass="1255.7397" massdiff="5.894" num_tol_term="1" num_missed_cleavages="1" is_rejected="0"> <search_score name="hyperscore" value="17.7"/> <search_score name="nextscore" value="17.0"/> <search_score name="bscore" value="11"/> <search_score name="yscore" value="3.3"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="2.2"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00012.00012.2" start_scan="12" end_scan="12" precursor_neutral_mass="1746.7675" assumed_charge="2" index="12"> <search_result> <search_hit hit_rank="1" peptide="KQNPGMDVNSPTIPPP" peptide_prev_aa="K" peptide_next_aa="G" protein="sp|P22807|SLOU_DROME" protein_descr="Homeobox protein slou OS=Drosophila melanogaster GN=slou PE=2 SV=1" num_tot_proteins="1" num_matched_ions="6" tot_num_ions="30" calc_neutral_pep_mass="1672.8247" massdiff="73.943" num_tol_term="1" num_missed_cleavages="0" is_rejected="0"> <search_score name="hyperscore" value="17.1"/> <search_score name="nextscore" value="16.3"/> <search_score name="bscore" value="6.4"/> <search_score name="yscore" value="8.3"/> <search_score name="cscore" value="0"/> <search_score name="zscore" value="0"/> <search_score name="ascore" value="0"/> <search_score name="xscore" value="0"/> <search_score name="expect" value="2.3"/> </search_hit> </search_result> </spectrum_query> <spectrum_query spectrum="mr176-BSA100fmole_BA3_01_8168.d.mgf.00013.00013.2" start_scan="13" end_scan="13" precursor_neutral_mass="1122.5442" assumed_charge="2" index="13"> <search_result> <search_hit hit_rank="1" peptide="PDPAKDPRADK" peptide_prev_aa="D" peptide_next_aa="K" protein="sp|O35767|NKX25_RAT" protein_descr="Homeobox protein Nkx-2.5 OS=Rattus norvegicus GN=Nkx2-5 PE=2 SV=1" num_tot_proteins="1" num_matched_ions="7" tot_num_ions="20" calc_neutral_pep_mass="1190.6047" massdiff="-68.061" num_tol_term="1" num_missed_cleavages="2" 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