mspire 0.2.4 → 0.3.0
This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
- 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
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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="2006-07-20T17:23:26" 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/021112.EcoliSol37.1/000" 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/021112.EcoliSol37.1/000" 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="/work/ms/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="+0.4" 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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</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="-0.6" 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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</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="+0.3" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
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<search_score name="xcorr" value="0.904"/>
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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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</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="-1.5" 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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<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="-0.1" 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"/>
|
|
71
|
+
<search_score name="sprank" value="10"/>
|
|
72
|
+
</search_hit>
|
|
73
|
+
</search_result>
|
|
74
|
+
</spectrum_query>
|
|
75
|
+
<spectrum_query spectrum="000.1004.1004.3" start_scan="1004" end_scan="1004" precursor_neutral_mass="1878.4920" assumed_charge="3" index="6">
|
|
76
|
+
<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="+0.4" 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="+0.2" 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="-0.3" 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="+1.3" 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="-0.7" 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
|
+
<spectrum_query spectrum="000.1008.1008.3" start_scan="1008" end_scan="1008" precursor_neutral_mass="1036.7920" assumed_charge="3" index="11">
|
|
126
|
+
<search_result> <search_hit hit_rank="1" peptide="VHEGLNTLR" peptide_prev_aa="R" peptide_next_aa="L" protein="gi|16128370|ref|NP_414919.1|" num_tot_proteins="1" num_matched_ions=" 6" tot_num_ions=" 32" calc_neutral_pep_mass="1038.1920" massdiff="-1.4" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
|
|
127
|
+
<search_score name="xcorr" value="0.767"/>
|
|
128
|
+
<search_score name="deltacn" value="0.089"/>
|
|
129
|
+
<search_score name="deltacnstar" value="0"/>
|
|
130
|
+
<search_score name="spscore" value="66.1"/>
|
|
131
|
+
<search_score name="sprank" value="18"/>
|
|
132
|
+
</search_hit>
|
|
133
|
+
</search_result>
|
|
134
|
+
</spectrum_query>
|
|
135
|
+
<spectrum_query spectrum="000.1010.1010.1" start_scan="1010" end_scan="1010" precursor_neutral_mass="869.4920" assumed_charge="1" index="12">
|
|
136
|
+
<search_result> <search_hit hit_rank="1" peptide="HFRALVK" peptide_prev_aa="K" peptide_next_aa="H" protein="gi|16130926|ref|NP_417502.1|" num_tot_proteins="1" num_matched_ions=" 7" tot_num_ions=" 12" calc_neutral_pep_mass="870.0920" massdiff="-0.6" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
|
|
137
|
+
<search_score name="xcorr" value="0.995"/>
|
|
138
|
+
<search_score name="deltacn" value="0.065"/>
|
|
139
|
+
<search_score name="deltacnstar" value="0"/>
|
|
140
|
+
<search_score name="spscore" value="152.2"/>
|
|
141
|
+
<search_score name="sprank" value="1"/>
|
|
142
|
+
</search_hit>
|
|
143
|
+
</search_result>
|
|
144
|
+
</spectrum_query>
|
|
145
|
+
<spectrum_query spectrum="000.1011.1011.1" start_scan="1011" end_scan="1011" precursor_neutral_mass="734.4920" assumed_charge="1" index="13">
|
|
146
|
+
<search_result> <search_hit hit_rank="1" peptide="FRDGLK" peptide_prev_aa="R" peptide_next_aa="E" protein="gi|16132019|ref|NP_418618.1|" num_tot_proteins="1" num_matched_ions=" 7" tot_num_ions=" 10" calc_neutral_pep_mass="734.8920" massdiff="-0.4" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
|
|
147
|
+
<search_score name="xcorr" value="1.467"/>
|
|
148
|
+
<search_score name="deltacn" value="0.396"/>
|
|
149
|
+
<search_score name="deltacnstar" value="0"/>
|
|
150
|
+
<search_score name="spscore" value="140.5"/>
|
|
151
|
+
<search_score name="sprank" value="1"/>
|
|
152
|
+
</search_hit>
|
|
153
|
+
</search_result>
|
|
154
|
+
</spectrum_query>
|
|
155
|
+
<spectrum_query spectrum="000.1012.1012.1" start_scan="1012" end_scan="1012" precursor_neutral_mass="899.3920" assumed_charge="1" index="14">
|
|
156
|
+
<search_result> <search_hit hit_rank="1" peptide="RQLAERK" peptide_prev_aa="R" peptide_next_aa="Q" protein="gi|16129398|ref|NP_415956.1|" num_tot_proteins="1" num_matched_ions=" 6" tot_num_ions=" 12" calc_neutral_pep_mass="899.9920" massdiff="-0.6" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
|
|
157
|
+
<search_score name="xcorr" value="0.797"/>
|
|
158
|
+
<search_score name="deltacn" value="0.156"/>
|
|
159
|
+
<search_score name="deltacnstar" value="0"/>
|
|
160
|
+
<search_score name="spscore" value="37.7"/>
|
|
161
|
+
<search_score name="sprank" value="8"/>
|
|
162
|
+
</search_hit>
|
|
163
|
+
</search_result>
|
|
164
|
+
</spectrum_query>
|
|
165
|
+
<spectrum_query spectrum="000.1014.1014.1" start_scan="1014" end_scan="1014" precursor_neutral_mass="869.5920" assumed_charge="1" index="15">
|
|
166
|
+
<search_result> <search_hit hit_rank="1" peptide="HFRALVK" peptide_prev_aa="K" peptide_next_aa="H" protein="gi|16130926|ref|NP_417502.1|" num_tot_proteins="1" num_matched_ions=" 6" tot_num_ions=" 12" calc_neutral_pep_mass="870.0920" massdiff="-0.5" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
|
|
167
|
+
<search_score name="xcorr" value="0.908"/>
|
|
168
|
+
<search_score name="deltacn" value="0.005"/>
|
|
169
|
+
<search_score name="deltacnstar" value="0"/>
|
|
170
|
+
<search_score name="spscore" value="110.4"/>
|
|
171
|
+
<search_score name="sprank" value="12"/>
|
|
172
|
+
</search_hit>
|
|
173
|
+
</search_result>
|
|
174
|
+
</spectrum_query>
|
|
175
|
+
<spectrum_query spectrum="000.1015.1015.1" start_scan="1015" end_scan="1015" precursor_neutral_mass="1077.9920" assumed_charge="1" index="16">
|
|
176
|
+
<search_result> <search_hit hit_rank="1" peptide="KVYQLAETK" peptide_prev_aa="K" peptide_next_aa="T" protein="gi|16128363|ref|NP_414912.1|" num_tot_proteins="1" num_matched_ions=" 8" tot_num_ions=" 16" calc_neutral_pep_mass="1079.2920" massdiff="-1.3" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
|
|
177
|
+
<search_score name="xcorr" value="0.897"/>
|
|
178
|
+
<search_score name="deltacn" value="0.056"/>
|
|
179
|
+
<search_score name="deltacnstar" value="0"/>
|
|
180
|
+
<search_score name="spscore" value="125.1"/>
|
|
181
|
+
<search_score name="sprank" value="1"/>
|
|
182
|
+
</search_hit>
|
|
183
|
+
</search_result>
|
|
184
|
+
</spectrum_query>
|
|
185
|
+
<spectrum_query spectrum="000.1016.1016.1" start_scan="1016" end_scan="1016" precursor_neutral_mass="871.6920" assumed_charge="1" index="17">
|
|
186
|
+
<search_result> <search_hit hit_rank="1" peptide="VGAITAANR" peptide_prev_aa="K" peptide_next_aa="I" protein="gi|16129608|ref|NP_416167.1|" num_tot_proteins="1" num_matched_ions=" 9" tot_num_ions=" 16" calc_neutral_pep_mass="871.9920" massdiff="-0.3" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
|
|
187
|
+
<search_score name="xcorr" value="1.028"/>
|
|
188
|
+
<search_score name="deltacn" value="0.115"/>
|
|
189
|
+
<search_score name="deltacnstar" value="0"/>
|
|
190
|
+
<search_score name="spscore" value="238.6"/>
|
|
191
|
+
<search_score name="sprank" value="1"/>
|
|
192
|
+
</search_hit>
|
|
193
|
+
</search_result>
|
|
194
|
+
</spectrum_query>
|
|
195
|
+
<spectrum_query spectrum="000.1018.1018.1" start_scan="1018" end_scan="1018" precursor_neutral_mass="919.7920" assumed_charge="1" index="18">
|
|
196
|
+
<search_result> <search_hit hit_rank="1" peptide="DFLIATLK" peptide_prev_aa="K" peptide_next_aa="P" protein="gi|16131978|ref|NP_418577.1|" num_tot_proteins="1" num_matched_ions=" 7" tot_num_ions=" 14" calc_neutral_pep_mass="920.0920" massdiff="-0.3" num_tol_term="1" num_missed_cleavages="0" is_rejected="0">
|
|
197
|
+
<search_score name="xcorr" value="1.010"/>
|
|
198
|
+
<search_score name="deltacn" value="0.156"/>
|
|
199
|
+
<search_score name="deltacnstar" value="0"/>
|
|
200
|
+
<search_score name="spscore" value="79.2"/>
|
|
201
|
+
<search_score name="sprank" value="7"/>
|
|
202
|
+
</search_hit>
|
|
203
|
+
</search_result>
|
|
204
|
+
</spectrum_query>
|
|
205
|
+
</msms_run_summary>
|
|
206
|
+
</msms_pipeline_analysis>
|