mspire 0.2.4 → 0.3.0
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- data/INSTALL +1 -0
- data/README +25 -0
- data/Rakefile +129 -40
- data/bin/{find_aa_freq.rb → aafreqs.rb} +2 -2
- data/bin/bioworks_to_pepxml.rb +1 -0
- data/bin/fasta_shaker.rb +1 -96
- data/bin/filter_and_validate.rb +5 -0
- data/bin/{mzxml_to_lmat.rb → ms_to_lmat.rb} +8 -7
- data/bin/prob_validate.rb +6 -0
- data/bin/raw_to_mzXML.rb +2 -2
- data/bin/srf_group.rb +1 -0
- data/bin/srf_to_sqt.rb +40 -0
- data/changelog.txt +68 -0
- data/lib/align/chams.rb +6 -6
- data/lib/align.rb +4 -3
- data/lib/bsearch.rb +120 -0
- data/lib/fasta.rb +318 -86
- data/lib/group_by.rb +10 -0
- data/lib/index_by.rb +11 -0
- data/lib/merge_deep.rb +21 -0
- data/lib/{spec → ms/converter}/mzxml.rb +77 -109
- data/lib/ms/gradient_program.rb +171 -0
- data/lib/ms/msrun.rb +209 -0
- data/lib/{spec/msrun.rb → ms/msrun_index.rb} +7 -40
- data/lib/ms/parser/mzdata/axml.rb +12 -0
- data/lib/ms/parser/mzdata/dom.rb +160 -0
- data/lib/ms/parser/mzdata/libxml.rb +7 -0
- data/lib/ms/parser/mzdata.rb +25 -0
- data/lib/ms/parser/mzxml/axml.rb +11 -0
- data/lib/ms/parser/mzxml/dom.rb +159 -0
- data/lib/ms/parser/mzxml/hpricot.rb +253 -0
- data/lib/ms/parser/mzxml/libxml.rb +15 -0
- data/lib/ms/parser/mzxml/regexp.rb +122 -0
- data/lib/ms/parser/mzxml/rexml.rb +72 -0
- data/lib/ms/parser/mzxml/xmlparser.rb +248 -0
- data/lib/ms/parser/mzxml.rb +175 -0
- data/lib/ms/parser.rb +108 -0
- data/lib/ms/precursor.rb +10 -0
- data/lib/ms/scan.rb +81 -0
- data/lib/ms/spectrum.rb +193 -0
- data/lib/ms.rb +10 -0
- data/lib/mspire.rb +4 -0
- data/lib/roc.rb +61 -1
- data/lib/sample_enzyme.rb +31 -8
- data/lib/scan_i.rb +21 -0
- data/lib/spec_id/aa_freqs.rb +7 -3
- data/lib/spec_id/bioworks.rb +20 -14
- data/lib/spec_id/digestor.rb +139 -0
- data/lib/spec_id/mass.rb +116 -0
- data/lib/spec_id/parser/proph.rb +236 -0
- data/lib/spec_id/precision/filter/cmdline.rb +209 -0
- data/lib/spec_id/precision/filter/interactive.rb +134 -0
- data/lib/spec_id/precision/filter/output.rb +147 -0
- data/lib/spec_id/precision/filter.rb +623 -0
- data/lib/spec_id/precision/output.rb +60 -0
- data/lib/spec_id/precision/prob/cmdline.rb +139 -0
- data/lib/spec_id/precision/prob/output.rb +88 -0
- data/lib/spec_id/precision/prob.rb +171 -0
- data/lib/spec_id/proph/pep_summary.rb +92 -0
- data/lib/spec_id/proph/prot_summary.rb +484 -0
- data/lib/spec_id/proph.rb +2 -466
- data/lib/spec_id/protein_summary.rb +2 -2
- data/lib/spec_id/sequest/params.rb +316 -0
- data/lib/spec_id/sequest/pepxml.rb +1513 -0
- data/lib/spec_id/sequest.rb +2 -1672
- data/lib/spec_id/srf.rb +445 -177
- data/lib/spec_id.rb +183 -95
- data/lib/spec_id_xml.rb +8 -10
- data/lib/transmem/phobius.rb +147 -0
- data/lib/transmem/toppred.rb +368 -0
- data/lib/transmem.rb +157 -0
- data/lib/validator/aa.rb +135 -0
- data/lib/validator/background.rb +73 -0
- data/lib/validator/bias.rb +95 -0
- data/lib/validator/cmdline.rb +260 -0
- data/lib/validator/decoy.rb +94 -0
- data/lib/validator/digestion_based.rb +69 -0
- data/lib/validator/probability.rb +48 -0
- data/lib/validator/prot_from_pep.rb +234 -0
- data/lib/validator/transmem.rb +272 -0
- data/lib/validator/true_pos.rb +46 -0
- data/lib/validator.rb +214 -0
- data/lib/xml.rb +38 -0
- data/lib/xml_style_parser.rb +105 -0
- data/lib/xmlparser_wrapper.rb +19 -0
- data/script/compile_and_plot_smriti_final.rb +97 -0
- data/script/extract_gradient_programs.rb +56 -0
- data/script/get_apex_values_rexml.rb +44 -0
- data/script/mzXML2timeIndex.rb +1 -1
- data/script/smriti_final_analysis.rb +103 -0
- data/script/toppred_to_yaml.rb +47 -0
- data/script/tpp_installer.rb +1 -1
- data/{test/tc_align.rb → specs/align_spec.rb} +21 -27
- data/{test/tc_bioworks_to_pepxml.rb → specs/bin/bioworks_to_pepxml_spec.rb} +25 -41
- data/specs/bin/fasta_shaker_spec.rb +259 -0
- data/specs/bin/filter_and_validate__multiple_vals_helper.yaml +202 -0
- data/specs/bin/filter_and_validate_spec.rb +124 -0
- data/specs/bin/ms_to_lmat_spec.rb +34 -0
- data/specs/bin/prob_validate_spec.rb +62 -0
- data/specs/bin/protein_summary_spec.rb +10 -0
- data/{test/tc_fasta.rb → specs/fasta_spec.rb} +354 -310
- data/specs/gi_spec.rb +22 -0
- data/specs/load_bin_path.rb +7 -0
- data/specs/merge_deep_spec.rb +13 -0
- data/specs/ms/gradient_program_spec.rb +77 -0
- data/specs/ms/msrun_spec.rb +455 -0
- data/specs/ms/parser_spec.rb +92 -0
- data/specs/ms/spectrum_spec.rb +89 -0
- data/specs/roc_spec.rb +251 -0
- data/specs/rspec_autotest.rb +149 -0
- data/specs/sample_enzyme_spec.rb +41 -0
- data/specs/spec_helper.rb +133 -0
- data/specs/spec_id/aa_freqs_spec.rb +52 -0
- data/{test/tc_bioworks.rb → specs/spec_id/bioworks_spec.rb} +56 -71
- data/specs/spec_id/digestor_spec.rb +75 -0
- data/specs/spec_id/precision/filter/cmdline_spec.rb +20 -0
- data/specs/spec_id/precision/filter/output_spec.rb +31 -0
- data/specs/spec_id/precision/filter_spec.rb +243 -0
- data/specs/spec_id/precision/prob_spec.rb +111 -0
- data/specs/spec_id/precision/prob_spec_helper.rb +0 -0
- data/specs/spec_id/proph/pep_summary_spec.rb +143 -0
- data/{test/tc_proph.rb → specs/spec_id/proph/prot_summary_spec.rb} +52 -32
- data/{test/tc_protein_summary.rb → specs/spec_id/protein_summary_spec.rb} +85 -0
- data/specs/spec_id/sequest/params_spec.rb +68 -0
- data/specs/spec_id/sequest/pepxml_spec.rb +452 -0
- data/specs/spec_id/sqt_spec.rb +138 -0
- data/specs/spec_id/srf_spec.rb +209 -0
- data/specs/spec_id/srf_spec_helper.rb +302 -0
- data/specs/spec_id_helper.rb +33 -0
- data/specs/spec_id_spec.rb +361 -0
- data/specs/spec_id_xml_spec.rb +33 -0
- data/specs/transmem/phobius_spec.rb +423 -0
- data/specs/transmem/toppred_spec.rb +297 -0
- data/specs/transmem_spec.rb +60 -0
- data/specs/transmem_spec_shared.rb +64 -0
- data/specs/validator/aa_spec.rb +107 -0
- data/specs/validator/background_spec.rb +51 -0
- data/specs/validator/bias_spec.rb +146 -0
- data/specs/validator/decoy_spec.rb +51 -0
- data/specs/validator/fasta_helper.rb +26 -0
- data/specs/validator/prot_from_pep_spec.rb +141 -0
- data/specs/validator/transmem_spec.rb +145 -0
- data/specs/validator/true_pos_spec.rb +58 -0
- data/specs/validator_helper.rb +33 -0
- data/specs/xml_spec.rb +12 -0
- data/test_files/000_pepxml18_small.xml +206 -0
- data/test_files/020a.mzXML.timeIndex +4710 -0
- data/test_files/4-03-03_mzXML/000.mzXML.timeIndex +3973 -0
- data/test_files/4-03-03_mzXML/020.mzXML.timeIndex +3872 -0
- data/test_files/4-03-03_small-prot.xml +321 -0
- data/test_files/4-03-03_small.xml +3876 -0
- data/test_files/7MIX_STD_110802_1.sequest_params_fragment.srf +0 -0
- data/test_files/bioworks-3.3_10prots.xml +5999 -0
- data/test_files/bioworks31.params +77 -0
- data/test_files/bioworks32.params +62 -0
- data/test_files/bioworks33.params +63 -0
- data/test_files/bioworks_single_run_small.xml +7237 -0
- data/test_files/bioworks_small.fasta +212 -0
- data/test_files/bioworks_small.params +63 -0
- data/test_files/bioworks_small.phobius +109 -0
- data/test_files/bioworks_small.toppred.out +2847 -0
- data/test_files/bioworks_small.xml +5610 -0
- data/test_files/bioworks_with_INV_small.xml +3753 -0
- data/test_files/bioworks_with_SHUFF_small.xml +2503 -0
- data/test_files/corrupted_900.srf +0 -0
- data/test_files/head_of_7MIX.srf +0 -0
- data/test_files/interact-opd1_mods_small-prot.xml +304 -0
- data/test_files/messups.fasta +297 -0
- data/test_files/opd1/000.my_answer.100lines.xml +101 -0
- data/test_files/opd1/000.tpp_1.2.3.first10.xml +115 -0
- data/test_files/opd1/000.tpp_2.9.2.first10.xml +126 -0
- data/test_files/opd1/000.v2.1.mzXML.timeIndex +3748 -0
- data/test_files/opd1/000_020-prot.png +0 -0
- data/test_files/opd1/000_020_3prots-prot.mod_initprob.xml +62 -0
- data/test_files/opd1/000_020_3prots-prot.xml +62 -0
- data/test_files/opd1/opd1_cat_inv_small-prot.xml +139 -0
- data/test_files/opd1/sequest.3.1.params +77 -0
- data/test_files/opd1/sequest.3.2.params +62 -0
- data/test_files/opd1/twenty_scans.mzXML +418 -0
- data/test_files/opd1/twenty_scans.v2.1.mzXML +382 -0
- data/test_files/opd1/twenty_scans_answ.lmat +0 -0
- data/test_files/opd1/twenty_scans_answ.lmata +9 -0
- data/test_files/opd1_020_beginning.RAW +0 -0
- data/test_files/opd1_2runs_2mods/interact-opd1_mods__small.xml +753 -0
- data/test_files/orbitrap_mzData/000_cut.xml +1920 -0
- data/test_files/pepproph_small.xml +4691 -0
- data/test_files/phobius.small.noheader.txt +50 -0
- data/test_files/phobius.small.small.txt +53 -0
- data/test_files/s01_anC1_ld020mM.key.txt +25 -0
- data/test_files/s01_anC1_ld020mM.meth +0 -0
- data/test_files/small.fasta +297 -0
- data/test_files/smallraw.RAW +0 -0
- data/test_files/tf_bioworks2excel.bioXML +14340 -0
- data/test_files/tf_bioworks2excel.txt.actual +1035 -0
- data/test_files/toppred.small.out +416 -0
- data/test_files/toppred.xml.out +318 -0
- data/test_files/validator_hits_separate/bias_bioworks_small_HS.fasta +7 -0
- data/test_files/validator_hits_separate/bioworks_small_HS.xml +5651 -0
- data/test_files/yeast_gly_small-prot.xml +265 -0
- data/test_files/yeast_gly_small.1.0_1.0_1.0.parentTimes +6 -0
- data/test_files/yeast_gly_small.xml +3807 -0
- data/test_files/yeast_gly_small2.parentTimes +6 -0
- metadata +273 -57
- data/bin/filter.rb +0 -6
- data/bin/precision.rb +0 -5
- data/lib/spec/mzdata/parser.rb +0 -108
- data/lib/spec/mzdata.rb +0 -48
- data/lib/spec/mzxml/parser.rb +0 -449
- data/lib/spec/scan.rb +0 -55
- data/lib/spec_id/filter.rb +0 -797
- data/lib/spec_id/precision.rb +0 -421
- data/lib/toppred.rb +0 -18
- data/script/filter-peps.rb +0 -164
- data/test/tc_aa_freqs.rb +0 -59
- data/test/tc_fasta_shaker.rb +0 -149
- data/test/tc_filter.rb +0 -203
- data/test/tc_filter_peps.rb +0 -46
- data/test/tc_gi.rb +0 -17
- data/test/tc_id_class_anal.rb +0 -70
- data/test/tc_id_precision.rb +0 -89
- data/test/tc_msrun.rb +0 -88
- data/test/tc_mzxml.rb +0 -88
- data/test/tc_mzxml_to_lmat.rb +0 -36
- data/test/tc_peptide_parent_times.rb +0 -27
- data/test/tc_precision.rb +0 -60
- data/test/tc_roc.rb +0 -166
- data/test/tc_sample_enzyme.rb +0 -32
- data/test/tc_scan.rb +0 -26
- data/test/tc_sequest.rb +0 -336
- data/test/tc_spec.rb +0 -78
- data/test/tc_spec_id.rb +0 -201
- data/test/tc_spec_id_xml.rb +0 -36
- data/test/tc_srf.rb +0 -262
@@ -0,0 +1,126 @@
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<?xml version="1.0" encoding="UTF-8"?>
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<?xml-stylesheet type="text/xsl" href="/tools/bin/TPP/tpp/schema/pepXML_std.xsl"?>
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<msms_pipeline_analysis date="2006-08-15T16:36:44" xmlns="http://regis-web.systemsbiology.net/pepXML" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://regis-web.systemsbiology.net/pepXML /tools/bin/TPP/tpp/schema/pepXML_v18.xsd" summary_xml="000.xml">
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<msms_run_summary base_name="/work/john/TPP_pepxml_prep_opd00001/run_000_020_ready/000" msManufacturer="ThermoFinnigan" msModel="LCQ Classic" msIonization="ESI" msMassAnalyzer="Ion Trap" msDetector="UNKNOWN" raw_data_type="raw" raw_data=".mzXML">
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<sample_enzyme name="trypsin">
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<specificity cut="KR" no_cut="P" sense="C"/>
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</sample_enzyme>
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<search_summary base_name="/work/john/TPP_pepxml_prep_opd00001/run_000_020_ready/000" search_engine="SEQUEST" precursor_mass_type="average" fragment_mass_type="average" out_data_type="out" out_data=".tgz" search_id="1">
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<search_database local_path="C:\Xcalibur\database\ecoli_K12.fasta" type="AA"/>
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<enzymatic_search_constraint enzyme="Trypsin" max_num_internal_cleavages="2" min_number_termini="2"/>
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<parameter name="peptide_mass_tol" value="1.500"/>
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<parameter name="fragment_ion_tol" value="0.000"/>
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<parameter name="ion_series" value=" 0 1 1 0.0 1.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0"/>
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<parameter name="max_num_differential_AA_per_mod" value="4"/>
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<parameter name="nucleotide_reading_frame" value="0"/>
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<parameter name="num_output_lines" value="10"/>
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<parameter name="remove_precursor_peak" value="0"/>
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<parameter name="ion_cutoff_percentage" value="0.0"/>
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<parameter name="match_peak_count" value="0"/>
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<parameter name="match_peak_allowed_error" value="1"/>
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<parameter name="match_peak_tolerance" value="1.0"/>
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<parameter name="protein_mass_filter" value="0 0"/>
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<parameter name="sequence_header_filter" value=""/>
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</search_summary>
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<spectrum_query spectrum="000.100.100.1" start_scan="100" end_scan="100" precursor_neutral_mass="1074.5920" assumed_charge="1" index="1">
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<search_result> <search_hit hit_rank="1" peptide="SIYFRNFK" peptide_prev_aa="R" peptide_next_aa="G" protein="gi|16130084|ref|NP_416651.1|" num_tot_proteins="1" num_matched_ions=" 4" tot_num_ions=" 14" calc_neutral_pep_mass="1074.1920" massdiff="+0.400000" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
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<search_score name="xcorr" value="0.400"/>
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<search_score name="deltacn" value="0.023"/>
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<search_score name="deltacnstar" value="0"/>
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<search_score name="spscore" value="78.8"/>
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<search_score name="sprank" value="1"/>
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</search_hit>
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</search_result>
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</spectrum_query>
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<spectrum_query spectrum="000.1000.1000.1" start_scan="1000" end_scan="1000" precursor_neutral_mass="663.1920" assumed_charge="1" index="2">
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<search_result> <search_hit hit_rank="1" peptide="ALADFK" peptide_prev_aa="R" peptide_next_aa="S" protein="gi|16128765|ref|NP_415318.1|" num_tot_proteins="1" num_matched_ions=" 5" tot_num_ions=" 10" calc_neutral_pep_mass="663.7920" massdiff="-0.600000" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
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<search_score name="xcorr" value="0.965"/>
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<search_score name="deltacn" value="0.132"/>
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<search_score name="deltacnstar" value="0"/>
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<search_score name="spscore" value="81.1"/>
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<search_score name="sprank" value="1"/>
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</search_hit>
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</search_result>
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</spectrum_query>
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<spectrum_query spectrum="000.1002.1002.1" start_scan="1002" end_scan="1002" precursor_neutral_mass="1291.6920" assumed_charge="1" index="3">
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<search_result> <search_hit hit_rank="1" peptide="EETEWRVQSK" peptide_prev_aa="R" peptide_next_aa="R" protein="gi|16128280|ref|NP_414829.1|" num_tot_proteins="1" num_matched_ions=" 10" tot_num_ions=" 18" calc_neutral_pep_mass="1291.3920" massdiff="+0.300000" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
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<search_score name="xcorr" value="0.903"/>
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<search_score name="deltacn" value="0.041"/>
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<search_score name="deltacnstar" value="0"/>
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<search_score name="spscore" value="140.0"/>
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<search_score name="sprank" value="1"/>
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</search_hit>
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</search_result>
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</spectrum_query>
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<spectrum_query spectrum="000.1003.1003.1" start_scan="1003" end_scan="1003" precursor_neutral_mass="769.3920" assumed_charge="1" index="4">
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<search_result> <search_hit hit_rank="1" peptide="NIGLLNK" peptide_prev_aa="R" peptide_next_aa="I" protein="gi|16129238|ref|NP_415793.1|" num_tot_proteins="1" num_matched_ions=" 8" tot_num_ions=" 12" calc_neutral_pep_mass="770.8920" massdiff="-1.500000" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
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<search_score name="xcorr" value="0.887"/>
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<search_score name="deltacn" value="0.115"/>
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<search_score name="deltacnstar" value="0"/>
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<search_score name="spscore" value="153.1"/>
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<search_score name="sprank" value="2"/>
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</search_hit>
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</search_result>
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</spectrum_query>
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<spectrum_query spectrum="000.1004.1004.2" start_scan="1004" end_scan="1004" precursor_neutral_mass="1252.2920" assumed_charge="2" index="5">
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<search_result> <search_hit hit_rank="1" peptide="QLTYTAHGPHK" peptide_prev_aa="R" peptide_next_aa="A" protein="gi|16131568|ref|NP_418155.1|" num_tot_proteins="1" num_matched_ions=" 7" tot_num_ions=" 20" calc_neutral_pep_mass="1252.3920" massdiff="-0.100000" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
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<search_score name="xcorr" value="1.066"/>
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<search_score name="deltacn" value="0.172"/>
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<search_score name="deltacnstar" value="0"/>
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<search_score name="spscore" value="125.2"/>
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<search_score name="sprank" value="10"/>
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</search_hit>
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</search_result>
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</spectrum_query>
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<spectrum_query spectrum="000.1004.1004.3" start_scan="1004" end_scan="1004" precursor_neutral_mass="1878.4920" assumed_charge="3" index="6">
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|
+
<search_result> <search_hit hit_rank="1" peptide="AGNARVVNSNAMSFLAQK" peptide_prev_aa="K" peptide_next_aa="G" protein="gi|16131337|ref|NP_417922.1|" num_tot_proteins="1" num_matched_ions=" 16" tot_num_ions=" 68" calc_neutral_pep_mass="1878.0920" massdiff="+0.400000" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
|
77
|
+
<search_score name="xcorr" value="1.370"/>
|
78
|
+
<search_score name="deltacn" value="0.199"/>
|
79
|
+
<search_score name="deltacnstar" value="0"/>
|
80
|
+
<search_score name="spscore" value="245.0"/>
|
81
|
+
<search_score name="sprank" value="2"/>
|
82
|
+
</search_hit>
|
83
|
+
</search_result>
|
84
|
+
</spectrum_query>
|
85
|
+
<spectrum_query spectrum="000.1006.1006.2" start_scan="1006" end_scan="1006" precursor_neutral_mass="888.1920" assumed_charge="2" index="7">
|
86
|
+
<search_result> <search_hit hit_rank="1" peptide="GNSRDIVK" peptide_prev_aa="R" peptide_next_aa="A" protein="gi|16131041|ref|NP_417618.1|" num_tot_proteins="1" num_matched_ions=" 9" tot_num_ions=" 14" calc_neutral_pep_mass="887.9920" massdiff="+0.200000" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
|
87
|
+
<search_score name="xcorr" value="0.982"/>
|
88
|
+
<search_score name="deltacn" value="0.006"/>
|
89
|
+
<search_score name="deltacnstar" value="0"/>
|
90
|
+
<search_score name="spscore" value="267.3"/>
|
91
|
+
<search_score name="sprank" value="6"/>
|
92
|
+
</search_hit>
|
93
|
+
</search_result>
|
94
|
+
</spectrum_query>
|
95
|
+
<spectrum_query spectrum="000.1006.1006.3" start_scan="1006" end_scan="1006" precursor_neutral_mass="1332.2920" assumed_charge="3" index="8">
|
96
|
+
<search_result> <search_hit hit_rank="1" peptide="MAAGENPAAEMIK" peptide_prev_aa="K" peptide_next_aa="S" protein="gi|16132265|ref|NP_418563.1|" num_tot_proteins="2" num_matched_ions=" 16" tot_num_ions=" 48" calc_neutral_pep_mass="1332.5920" massdiff="-0.300000" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
|
97
|
+
<search_score name="xcorr" value="1.058"/>
|
98
|
+
<search_score name="deltacn" value="0.191"/>
|
99
|
+
<search_score name="deltacnstar" value="0"/>
|
100
|
+
<search_score name="spscore" value="177.5"/>
|
101
|
+
<search_score name="sprank" value="8"/>
|
102
|
+
</search_hit>
|
103
|
+
</search_result>
|
104
|
+
</spectrum_query>
|
105
|
+
<spectrum_query spectrum="000.1007.1007.1" start_scan="1007" end_scan="1007" precursor_neutral_mass="867.2920" assumed_charge="1" index="9">
|
106
|
+
<search_result> <search_hit hit_rank="1" peptide="GALLHVEK" peptide_prev_aa="K" peptide_next_aa="M" protein="gi|16128020|ref|NP_414567.1|" num_tot_proteins="1" num_matched_ions=" 4" tot_num_ions=" 14" calc_neutral_pep_mass="865.9920" massdiff="+1.300000" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
|
107
|
+
<search_score name="xcorr" value="0.467"/>
|
108
|
+
<search_score name="deltacn" value="0.011"/>
|
109
|
+
<search_score name="deltacnstar" value="0"/>
|
110
|
+
<search_score name="spscore" value="39.4"/>
|
111
|
+
<search_score name="sprank" value="30"/>
|
112
|
+
</search_hit>
|
113
|
+
</search_result>
|
114
|
+
</spectrum_query>
|
115
|
+
<spectrum_query spectrum="000.1008.1008.2" start_scan="1008" end_scan="1008" precursor_neutral_mass="691.0920" assumed_charge="2" index="10">
|
116
|
+
<search_result> <search_hit hit_rank="1" peptide="RLFTR" peptide_prev_aa="R" peptide_next_aa="A" protein="gi|16130457|ref|NP_417027.1|" num_tot_proteins="1" num_matched_ions=" 5" tot_num_ions=" 8" calc_neutral_pep_mass="691.7920" massdiff="-0.700000" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
|
117
|
+
<search_score name="xcorr" value="0.903"/>
|
118
|
+
<search_score name="deltacn" value="0.333"/>
|
119
|
+
<search_score name="deltacnstar" value="0"/>
|
120
|
+
<search_score name="spscore" value="172.8"/>
|
121
|
+
<search_score name="sprank" value="1"/>
|
122
|
+
</search_hit>
|
123
|
+
</search_result>
|
124
|
+
</spectrum_query>
|
125
|
+
</msms_run_summary>
|
126
|
+
</msms_pipeline_analysis>
|