# HG changeset patch # User iracooke # Date 1433077557 14400 # Node ID 2cafc729b2ae9e1580d281ca29103ceb861c6784 # Parent 7e61179c59527fa4e80850a26aae353fa2f4307a planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/peptideshaker commit 0e976aeeed9d516e0ad4735dc847b1f2eba3532b diff -r 7e61179c5952 -r 2cafc729b2ae README.md --- a/README.md Wed Jun 25 11:50:38 2014 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,74 +0,0 @@ -GalaxyP - PeptideShaker -======================= - -* Home: -* Galaxy Tool Shed: -* Tool ID: `peptideshaker` -* Tool Type: `default` - - -Description ------------ - -Perform protein identification combining X! Tandem and OMSSA (using SearchGUI) and PeptideShaker pipeline. - -Tool wrapper for SearchGUI and PeptideShaker. This tool takes any number of mgf files and performs X! Tandem and OMSSA searches on these via SearchGUI and merges the results using PeptideShaker. - -Configuration -------------- - -This tool requires a Java runtime 1.6 or greater to work. To avoid out of memory errors you should set the maximum heapspace for java processes as the default is most likely too small. For example, to set this in your shell; - -export _JAVA_OPTIONS='-Xmx1500M' - -It is also possible to set this on a per tool basis using advanced features of the galaxy job config system - -Note: - -- SearchGUI requires a version greater than 1.12.2 which contained several bugs preventing this from working on the command-line and via Linux. - -- PeptideShaker may require xvfb to simulate an X environment if this is installed on a headless server. - -See: - -* -* - - -GalaxyP Community ------------------ - -Current governing community policies for [GalaxyP](https://bitbucket.org/galaxyp/) and other information can be found at: - - - - -License -------- - -Copyright (c) 2014 Regents of the University of Minnesota and Authors listed below. - -To the extent possible under law, the author(s) have dedicated all copyright and related and neighboring rights to this software to the public domain worldwide. This software is distributed without any warranty. - -You should have received a copy of the CC0 Public Domain Dedication along with this software. If not, see . - -You can copy, modify, distribute and perform the work, even for commercial purposes, all without asking permission. - - -Contributing ------------- - -Contributions to this repository are reviewed through pull requests. If you would like your work acknowledged, please also add yourself to the Authors section. If your pull request is accepted, you will also be acknowledged in unless you opt-out. - - -Authors -------- - -Authors and contributors: - -* Bjoern Gruening -* Ira Cooke -* Cody Wang -* Fred Sadler -* John Chilton -* Minnesota Supercomputing Institute, Univeristy of Minnesota diff -r 7e61179c5952 -r 2cafc729b2ae README.rst --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/README.rst Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,78 @@ +GalaxyP - PeptideShaker +======================= + +- Home: +- Galaxy Tool Shed: +- Tool ID: `peptideshaker`, `search_gui` + + +Description +----------- + +Perform protein identification combining numerous search engines (using SearchGUI) followed by peptide and protein inference with PeptideShaker. + +Includes tool wrappers for SearchGUI and PeptideShaker. The SearchGUI tool takes any number of mgf files and performs searches on these. It creates a large zip archive with all search results, the original database and spectra. This can then be fed to the PeptideShaker tool which merges the results and performs peptide and protein inference. + + +Configuration +------------- + +This tool requires a Java runtime 1.6 or greater to work. To avoid out of memory errors you should set the maximum heapspace for java processes as the default is most likely too small. For example, to set this in your shell: + + export _JAVA_OPTIONS='-Xmx1500M' + +On some systems you may also need to adjust the amount of memory available for class definitions in addition to the maximum heapspace. For example: + + export _JAVA_OPTIONS='-Xmx1500M -XX:MaxPermSize=256M' + +It is also possible to set this on a per tool basis using advanced features of the galaxy job config system. + +Note: + +- PeptideShaker may require xvfb to simulate an X environment if this is installed on a headless server. + +See: + +* +* + + +GalaxyP Community +----------------- + +Current governing community policies for GalaxyP_ and other information can be found at: + + + +.. _GalaxyP: https://github.com/galaxyproteomics/ + + +License +------- + +Copyright (c) 2014 Regents of the University of Minnesota and Authors listed below. + +To the extent possible under law, the author(s) have dedicated all copyright and related and neighboring rights to this software to the public domain worldwide. This software is distributed without any warranty. + +You should have received a copy of the CC0 Public Domain Dedication along with this software. If not, see . + +You can copy, modify, distribute and perform the work, even for commercial purposes, all without asking permission. + + +Contributing +------------ + +Contributions to this repository are reviewed through pull requests. If you would like your work acknowledged, please also add yourself to the Authors section. If your pull request is accepted, you will also be acknowledged in + + +Authors +------- + +Authors and contributors: + +* Bjoern Gruening +* Ira Cooke +* Cody Wang +* Fred Sadler +* John Chilton +* Minnesota Supercomputing Institute, Univeristy of Minnesota diff -r 7e61179c5952 -r 2cafc729b2ae admin_scripts/build_mods_loc.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/admin_scripts/build_mods_loc.py Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,12 @@ +#!/usr/bin/env python + +import xml.etree.ElementTree as ET +from os.path import exists + +with open("searchgui_mods.loc.sample", "w") as output: + for mods_path in ["searchGUI_mods.xml", "searchGUI_usermods.xml"]: + tree = ET.parse(mods_path) + modifications_el = tree.getroot() + for mod in modifications_el.findall("{http://www.ncbi.nlm.nih.gov}MSModSpec"): + name_el = mod.find("{http://www.ncbi.nlm.nih.gov}MSModSpec_name") + output.write("%s\n" % name_el.text.lower()) diff -r 7e61179c5952 -r 2cafc729b2ae admin_scripts/build_species.py --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/admin_scripts/build_species.py Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,10 @@ +#!/usr/bin/env python + +import sys + +for line in open( sys.argv[1] ): + line = line.strip() + if line and not line.startswith('>'): + name, id = line.split('\t') + line = '' % (name, name) + print line diff -r 7e61179c5952 -r 2cafc729b2ae admin_scripts/searchGUI_mods.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/admin_scripts/searchGUI_mods.xml Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,3021 @@ + + + + + 0 + + + 0 + + methylation of K + 14.015650 + 14.0266 + 0 + + K + + 34 + Methyl + + + + 1 + + + 0 + + oxidation of M + 15.994915 + 15.9994 + 0 + + M + + 35 + Oxidation + + + + 2 + + + 0 + + carboxymethyl C + 58.005479 + 58.0361 + 0 + + C + + 6 + Carboxymethyl + + + + 3 + + + 0 + + carbamidomethyl C + 57.021464 + 57.0513 + 0 + + C + + 4 + Carbamidomethyl + + + + 4 + + + 0 + + deamidation of N and Q + 0.984016 + 0.9848 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-18.010565 + -18.0153 + 0 + + T + + 23 + Dehydrated + + + + 98 + + + 0 + + phosphorylation with prompt loss on Y + -18.010565 + -18.0153 + 0 + + Y + + 23 + Dehydrated + + + + 99 + + + 0 + + phosphorylation with neutral loss on C + 79.966331 + 79.9799 + 0 + + C + + + + 97.976896 + 97.9952 + 0 + + + 21 + Phospho + + + + 100 + + + 0 + + phosphorylation with neutral loss on D + 79.966331 + 79.9799 + 0 + + D + + + + 97.976896 + 97.9952 + 0 + + + 21 + Phospho + + + + 101 + + + 0 + + phosphorylation with neutral loss on H + 79.966331 + 79.9799 + 0 + + H + + + + 97.976896 + 97.9952 + 0 + + + 21 + Phospho + + + + 102 + + + 0 + + propionyl light K + 56.026215 + 56.0633 + 0 + + K + + 58 + Propionyl + + + + 103 + + + 5 + + propionyl light on peptide n-term + 56.026215 + 56.0633 + 0 + 58 + Propionyl + + + + 104 + + + 0 + + propionyl heavy K + 59.036279 + 59.0412 + 0 + + K + + 59 + Propionyl:13C(3) + + + + 105 + + + 5 + + propionyl heavy peptide n-term + 59.036279 + 59.0412 + 0 + 59 + 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T + + 23 + Dehydrated + + + + 165 + + + 0 + + carboxykynurenin of W + 47.98474389 + 47.9979141 + 0 + + W + + + + + 166 + + + 0 + + sumoylation of K + 484.2282 + 0 + 0 + + K + + 846 + + + + 167 + + + 5 + + iTRAQ114 on nterm + 144.105918 + 144.1680 + 0 + 532 + iTRAQ4plex114 + + + + 168 + + + 0 + + iTRAQ114 on K + 144.105918 + 144.1680 + 0 + + K + + 532 + iTRAQ4plex114 + + + + 169 + + + 0 + + iTRAQ114 on Y + 144.105918 + 144.1680 + 0 + + Y + + 532 + iTRAQ4plex114 + + + + 170 + + + 5 + + iTRAQ115 on nterm + 144.099599 + 144.1688 + 0 + 533 + iTRAQ4plex115 + + + + 171 + + + 0 + + iTRAQ115 on K + 144.099599 + 144.1688 + 0 + + K + + 533 + iTRAQ4plex115 + + + + 172 + + + 0 + + iTRAQ115 on Y + 144.099599 + 144.1688 + 0 + + Y + + 533 + iTRAQ4plex115 + + + + 173 + + + 5 + + iTRAQ116 on nterm + 144.102063 + 144.1544 + 0 + 214 + iTRAQ4plex + + + + 174 + + + 0 + + iTRAQ116 on K + 144.102063 + 144.1544 + 0 + + K + + 214 + iTRAQ4plex + + + + 175 + + + 0 + + iTRAQ116 on Y + 144.102063 + 144.1544 + 0 + + Y + + 214 + iTRAQ4plex + + + + 176 + + + 5 + + iTRAQ117 on nterm + 144.102063 + 144.1544 + 0 + 214 + iTRAQ4plex + + + + 177 + + + 0 + + iTRAQ117 on K + 144.102063 + 144.1544 + 0 + + K + + 214 + iTRAQ4plex + + + + 178 + + + 0 + + iTRAQ117 on Y + 144.102063 + 144.1544 + 0 + + Y + + 214 + iTRAQ4plex + + + + 179 + + + 0 + + MMTS on C + 45.987721 + 46.0916 + 0 + + C + + 39 + Methylthio + + + + 180 + + + 0 + + heavy lysine - 2H4 + 4.025107 + 4.0246 + 0 + + K + + 481 + Label:2H(4) + + + + 181 + + + 0 + + heavy lysine - 13C6 15N2 + 8.014199 + 7.9427 + 0 + + K + + 259 + Label:13C(6)15N(2) + + + + 182 + + + 0 + + Asparagine HexNAc + 203.079373 + 203.1925 + 0 + + N + + 43 + HexNAc + + + + 183 + + + 0 + + Asparagine dHexHexNAc + 349.137281 + 349.3337 + 0 + + N + + 142 + HexNAc(1)dHex(1) + + + + 184 + + + 0 + + Serine HexNAc + 203.079373 + 203.1925 + 0 + + S + + 43 + HexNAc + + + + 185 + + + 0 + + Threonine HexNAc + 203.079373 + 203.1925 + 0 + + T + + 43 + HexNAc + + + + 186 + + + 0 + + palmitoleyl of S + 236.214016 + 236.3929 + 0 + + S + + 431 + Palmitoleyl + + + + 187 + + + 0 + + palmitoleyl of C + 236.214016 + 236.3929 + 0 + + C + + 431 + Palmitoleyl + + + + 188 + + + 0 + + palmitoleyl of T + 236.214016 + 236.3929 + 0 + + T + + 431 + Palmitoleyl + + + + 189 + + + 0 + + CHD2-di-methylation of K + 32.056407 + 32.0778 + 0 + + K + + 199 + Dimethyl:2H(4) + + + + 190 + + + 5 + + CHD2-di-methylation of peptide n-term + 32.056407 + 32.0778 + 0 + 199 + Dimethyl:2H(4) + + + + 191 + + + 0 + + Maleimide-PEO2-Biotin of C + 525.225719 + 525.6183 + 0 + + C + + 522 + Maleimide-PEO2-Biotin + + + + 192 + + + 0 + + phosphorylation of H + 79.966331 + 79.9799 + 0 + + H + + 21 + Phospho + + + + 193 + + + 0 + + oxidation of C + 15.994915 + 15.9994 + 0 + + C + + 35 + Oxidation + + + + 194 + + + 0 + + oxidation of Y (duplicate of 64) + 15.994915 + 15.9994 + 0 + + Y + + 35 + Oxidation + + + + 195 + + + 0 + + Uniblue A on K + 484.039891 + 484.5016 + 0 + + K + + + + + 196 + + + 0 + + deamidation of N + 0.984016 + 0.9848 + 0 + + N + + 7 + Deamidated + + + + 197 + + + 0 + + trideuteration of L (SILAC) + 3.018830 + 3.0185 + 0 + + L + + 262 + Label:2H(3) + + + + 198 + + + 0 + + TMT duplex on K + 225.155833 + 225.2921 + 0 + + K + + 738 + + + + 199 + + + 5 + + TMT duplex on n-term peptide + 225.155833 + 225.2921 + 0 + + X + + 738 + + + + 198 + + + 0 + + TMT 6-plex on K + 229.162932 + 229.2634 + 0 + + K + + 738 + + + + 199 + + + 5 + + TMT 6-plex on n-term peptide + 229.162932 + 229.2634 + 0 + + X + + 738 + + + + 200 + + + 5 + + iTRAQ8plex:13C(7)15N(1) on nterm + 304.205360 + 304.3074 + 0 + 730 + + + + 201 + + + 0 + + iTRAQ8plex:13C(7)15N(1) on K + 304.205360 + 304.3074 + 0 + + K + + 730 + + + + 202 + + + 0 + + iTRAQ8plex:13C(7)15N(1) on Y + 304.205360 + 304.3074 + 0 + + Y + + 730 + + + + 203 + + + 5 + + iTRAQ8plex:13C(6)15N(2) on nterm + 304.199040 + 304.3081 + 0 + 731 + + + + 204 + + + 0 + + iTRAQ8plex:13C(6)15N(2) on K + 304.199040 + 304.3081 + 0 + + K + + 731 + + + + 205 + + + 0 + + iTRAQ8plex:13C(6)15N(2) on Y + 304.199040 + 304.3081 + 0 + + Y + + 731 + + + + 206 + + + 0 + + selenocysteine + 47.944449 + 46.8950 + 0 + + C + + 162 + + + + 207 + + + 0 + + carboxymethylated selenocysteine + 105.949928 + 104.9311 + 0 + + C + + + diff -r 7e61179c5952 -r 2cafc729b2ae admin_scripts/searchGUI_usermods.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/admin_scripts/searchGUI_usermods.xml Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,455 @@ + + + + + + 119 + + + 5 + + dimethyl 2d n-terminus + 32.0564 + 0 + 0 + + + + 120 + + + 0 + + dimethyl 2d k + 32.0564 + 0 + 0 + + K + + + + + 121 + + + 0 + + gtp desthiobiotinc12 + 196.121178 + 0 + 0 + + K + + + + + 122 + + + 0 + + gtp desthiobiotinc13 + 202.141307 + 0 + 0 + + K + + + + + 123 + + + 0 + + User modification 5 + 0 + 0 + 0 + + X + + + + + 124 + + + 0 + + User modification 6 + 0 + 0 + 0 + + X + + + + + 125 + + + 0 + + User modification 7 + 0 + 0 + 0 + + X + + + + + 126 + + + 0 + + User modification 8 + 0 + 0 + 0 + + X + + + + + 127 + + + 0 + + User modification 9 + 0 + 0 + 0 + + X + + + + + 128 + + + 0 + + User modification 10 + 0 + 0 + 0 + + X + + + + + 142 + + + 0 + + User modification 11 + 0 + 0 + 0 + + X + + + + + 143 + + + 0 + + User modification 12 + 0 + 0 + 0 + + X + + + + + 144 + + + 0 + + User modification 13 + 0 + 0 + 0 + + X + + + + + 145 + + + 0 + + User modification 14 + 0 + 0 + 0 + + X + + + + + 146 + + + 0 + + User modification 15 + 0 + 0 + 0 + + X + + + + + 147 + + + 0 + + User modification 16 + 0 + 0 + 0 + + X + + + + + 148 + + + 0 + + User modification 17 + 0 + 0 + 0 + + X + + + + + 149 + + + 0 + + User modification 18 + 0 + 0 + 0 + + X + + + + + 150 + + + 0 + + User modification 19 + 0 + 0 + 0 + + X + + + + + 151 + + + 0 + + User modification 20 + 0 + 0 + 0 + + X + + + + + 152 + + + 0 + + User modification 21 + 0 + 0 + 0 + + X + + + + + 153 + + + 0 + + User modification 22 + 0 + 0 + 0 + + X + + + + + 154 + + + 0 + + User modification 23 + 0 + 0 + 0 + + X + + + + + 155 + + + 0 + + User modification 24 + 0 + 0 + 0 + + X + + + + + 156 + + + 0 + + User modification 25 + 0 + 0 + 0 + + X + + + + + 157 + + + 0 + + User modification 26 + 0 + 0 + 0 + + X + + + + + 158 + + + 0 + + User modification 27 + 0 + 0 + 0 + + X + + + + + 159 + + + 0 + + User modification 28 + 0 + 0 + 0 + + X + + + + + 160 + + + 0 + + User modification 29 + 0 + 0 + 0 + + X + + + + + 161 + + + 0 + + User modification 30 + 0 + 0 + 0 + + X + + + diff -r 7e61179c5952 -r 2cafc729b2ae admin_scripts/species --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/admin_scripts/species Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,252 @@ +>Fungi +Ashbya gossypii agossypii_eg_gene +Aspergillus clavatus aclavatus_eg_gene +Aspergillus flavus aflavus_eg_gene +Aspergillus fumigatus afumigatus_eg_gene +Aspergillus fumigatusa1163 afumigatusa1163_eg_gene +Aspergillus nidulans anidulans_eg_gene +Aspergillus niger aniger_eg_gene +Aspergillus oryzae aoryzae_eg_gene +Aspergillus terreus aterreus_eg_gene +Blumeria graminis bgraminis_eg_gene +Botrytis cinerea bcinerea_eg_gene +Colletotrichum gloeosporioides cgloeosporioides_eg_gene +Colletotrichum higginsianum chigginsianum_eg_gene +Colletotrichum orbiculare corbiculare_eg_gene +Cryptococcus neoformans cneoformans_eg_gene +Dothistroma septosporum dseptosporum_eg_gene +Fusarium fujikuroi ffujikuroi_eg_gene +Fusarium graminearum fgraminearum_eg_gene +Fusarium oxysporum foxysporum_eg_gene +Fusarium pseudograminearum fpseudograminearum_eg_gene +Fusarium solani fsolani_eg_gene +Fusarium verticillioides fverticillioides_eg_gene +Gaeumannomyces graminis ggraminis_eg_gene +Colletotrichum graminicola cgraminicola_eg_gene +Komagataella pastoris kpastoris_eg_gene +Leptosphaeria maculans lmaculans_eg_gene +Magnaporthe oryzae moryzae_eg_gene +Magnaporthe poae mpoae_eg_gene +Melampsora larici-populina mlaricipopulina_eg_gene +Neosartorya fischeri nfischeri_eg_gene +Neurospora crassa ncrassa_eg_gene +Phaeosphaeria nodorum pnodorum_eg_gene +Puccinia graminis pgraminis_eg_gene +Puccinia graminis Ug99 pgraminisug99_eg_gene +Puccinia triticina ptriticina_eg_gene +Pyrenophora teres pteres_eg_gene +Pyrenophora tritici-repentis ptriticirepentis_eg_gene +Saccharomyces cerevisiae scerevisiae_eg_gene +Schizosaccharomyces cryophilus scryophilus_eg_gene +Schizosaccharomyces japonicus japonicus_eg_gene +Schizosaccharomyces octosporus octosporus_eg_gene +Schizosaccharomyces pombe spombe_eg_gene +Sclerotinia sclerotiorum ssclerotiorum_eg_gene +Sporisorium reilianum sreilianum_eg_gene +Trichoderma reesei treesei_eg_gene +Trichoderma virens tvirens_eg_gene +Tuber melanosporum tmelanosporum_eg_gene +Ustilago maydis umaydis_eg_gene +Verticillium dahliae JR2 vdahliaejr2_eg_gene +Verticillium dahliae dahliae_eg_gene +Yarrowia lipolytica ylipolytica_eg_gene +Zymoseptoria tritici ztritici_eg_gene + +>Metazoa +Acyrthosiphon pisum apisum_eg_gene +Aedes aegypti (Yellow fever mosquito) aaegypti_eg_gene +Amphimedon queenslandica aqueenslandica_eg_gene +Anopheles darlingi adarlingi_eg_gene +Anopheles gambiae (African malaria mosquito) agambiae_eg_gene +Apis mellifera amellifera_eg_gene +Atta cephalotes acephalotes_eg_gene +Bombyx mori bmori_eg_gene +Brugia malayi bmalayi_eg_gene +Caenorhabditis brenneri cbrenneri_eg_gene +Caenorhabditis briggsae cbriggsae_eg_gene +Caenorhabditis elegans celegans_eg_gene +Caenorhabditis japonica cjaponica_eg_gene +Caenorhabditis remanei cremanei_eg_gene +Culex quinquefasciatus (Southern house mosquito) cquinquefasciatus_eg_gene +Danaus plexippus dplexippus_eg_gene +Daphnia pulex dpulex_eg_gene +Dendroctonus ponderosae ponderosae_eg_gene +Drosophila ananassae dananassae_eg_gene +Drosophila erecta derecta_eg_gene +Drosophila grimshawi dgrimshawi_eg_gene +Drosophila melanogaster (Fruit fly) dmelanogaster_eg_gene +Drosophila mojavensis dmojavensis_eg_gene +Drosophila persimilis dpersimilis_eg_gene +Drosophila pseudoobscura dpseudoobscura_eg_gene +Drosophila sechellia dsechellia_eg_gene +Drosophila simulans dsimulans_eg_gene +Drosophila virilis dvirilis_eg_gene +Drosophila willistoni dwillistoni_eg_gene +Drosophila yakuba dyakuba_eg_gene +Heliconius melpomene hmelpomene_eg_gene +Helobdella robusta robusta_eg_gene +Ixodes scapularis (Black-legged tick) iscapularis_eg_gene +Loa loa lloa_eg_gene +Lottia gigantea lgigantea_eg_gene +Megaselia scalaris mscalaris_eg_gene +Melitaea cinxia mcinxia_eg_gene +Mnemiopsis leidyi mleidyi_eg_gene +Nasonia vitripennis nvitripennis_eg_gene +Nematostella vectensis nvectensis_eg_gene +Onchocerca volvulus ovolvulus_eg_gene +Pediculus humanus (Human louse) phumanus_eg_gene +Pristionchus pacificus ppacificus_eg_gene +Rhodnius prolixus rprolixus_eg_gene +Schistosoma mansoni smansoni_eg_gene +Solenopsis invicta (Red fire ant) sinvicta_eg_gene +Strigamia maritima smaritima_eg_gene +Strongylocentrotus purpuratus spurpuratus_eg_gene +Tetranychus urticae turticae_eg_gene +Tribolium castaneum (red flour beetle) tcastaneum_eg_gene +Trichinella spiralis tspiralis_eg_gene +Trichoplax adhaerens tadhaerens_eg_gene +Zootermopsis nevadensis znevadensis_eg_gene + +>Plants +Amborella (Amborella trichopoda) atrichopoda_eg_gene +Arabidopsis lyrata (Lyrate rockcress) alyrata_eg_gene +Arabidopsis thaliana (Thale-cress) athaliana_eg_gene +Brachypodium distachyon (False brome) bdistachyon_eg_gene +Brassica oleracea boleracea_eg_gene +Brassica rapa genes (Field mustard) brapa_eg_gene +Chlamydomonas reinhardtii (Green algae) creinhardtii_eg_gene +Cyanidioschyzon merolae (Red algae) cmerolae_eg_gene +Glycine max (Soybean) gmax_eg_gene +Hordeum vulgare (Barley) hvulgare_eg_gene +Leersia perrieri (Leersia) lperrieri_eg_gene +Medicago truncatula (Barrel medic) mtruncatula_eg_gene +Musa acuminata (Banana) macuminata_eg_gene +Oryza brachyantha obrachyantha_eg_gene +Oryza glumaepatula oglumaepatula_eg_gene +Oryza meridionalis omeridionalis_eg_gene +Oryza nivara onivara_eg_gene +Oryza punctata opunctata_eg_gene +Oryza rufipogon (Common wild rice) orufipogon_eg_gene +Oryza sativa (Indica rice) osativa_eg_gene +Oryza sativa Indica Group oindica_eg_gene +Oryza sativa Japonica (Japonica rice) osativa_eg_gene +Ostreococcus lucimarinus (Green algae) olucimarinus_eg_gene +Physcomitrella patens ppatens_eg_gene +Physcomitrella patens (Moss) ppatens_eg_gene +Populus trichocarpa ptrichocarpa_eg_gene +Populus trichocarpa (Western balsam poplar) ptrichocarpa_eg_gene +Prunus persica (Peach) ppersica_eg_gene +Selaginella moellendorffii (Spike moss) smoellendorffii_eg_gene +Setaria italica (Foxtail millet) sitalica_eg_gene +Solanum lycopersicum (Tomato) slycopersicum_eg_gene +Solanum tuberosum (Potato) stuberosum_eg_gene +Sorghum bicolor (Sorghum) sbicolor_eg_gene +Theobroma cacao (Cocoa) tcacao_eg_gene +Triticum aestivum (Bread wheat) taestivum_eg_gene +Triticum urartu (Einkorn) turartu_eg_gene +Vitis vinifera (Wine grape) vvinifera_eg_gene +Zea mays (Maize) zmays_eg_gene + +>Protists +Albugo laibachii alaibachii_eg_gene +Bigelowiella natans bnatans_eg_gene +Dictyostelium discoideum ddiscoideum_eg_gene +Emiliania huxleyi ehuxleyi_eg_gene +Entamoeba histolytica ehistolytica_eg_gene +Giardia lamblia glamblia_eg_gene +Guillardia theta CCMP2712 gtheta_eg_gene +Hyaloperonospora arabidopsidis harabidopsidis_eg_gene +Leishmania major lmajor_eg_gene +Paramecium tetraurelia ptetraurelia_eg_gene +Phaeodactylum tricornutum ptricornutum_eg_gene +Phytophthora infestans pinfestans_eg_gene +Phytophthora kernoviae pkernoviae_eg_gene +Phytophthora lateralis plateralis_eg_ge +Phytophthora parasitica pparasitica_eg_gene +Phytophthora ramorum pramorum_eg_gene +Phytophthora sojae psojae_eg_gene +Plasmodium berghei pberghei_eg_gene +Plasmodium chabaudi pchabaudi_eg_gene +Plasmodium falciparum pfalciparum_eg_gene +Plasmodium knowlesi pknowlesi_eg_gene +Plasmodium vivax pvivax_eg_gene +Pythium aphanidermatum paphanidermatum_eg_gene +Pythium arrhenomanes parrhenomanes_eg_gene +Pythium irregulare pirregulare_eg_gene +Pythium iwayamai piwayamai_eg_gene +Pythium ultimum pultimum_eg_gene +Pythium vexans pvexans_eg_gene +Tetrahymena thermophila tthermophila_eg_gene +Thalassiosira pseudonana tpseudonana_eg_gene +Toxoplasma gondii tgondii_eg_gene +Trypanosoma brucei tbrucei_eg_gene + +>Vertebrates +Alpaca (Vicugna pacos) vpacos_gene_ensembl +Amazon molly (Poecilia formosa) pformosa_gene_ensembl +Anole lizard (Anolis carolinensis) acarolinensis_gene_ensembl +Armadillo (Dasypus novemcinctus) dnovemcinctus_gene_ensembl +Bushbaby (Otolemur garnettii) ogarnettii_gene_ensembl +C. elegans (Caenorhabditis elegans) celegans_gene_ensembl +C.intestinalis (Ciona intestinalis) cintestinalis_gene_ensembl +C.savignyi (Ciona savignyi) csavignyi_gene_ensembl +Cat (Felis catus) fcatus_gene_ensembl +Cave fish (Astyanax mexicanus) amexicanus_gene_ensembl +Chicken (Gallus gallus) ggallus_gene_ensembl +Chimpanzee (Pan troglodytes) ptroglodytes_gene_ensembl +Chinese softshell turtle (Pelodiscus sinensis) psinensis_gene_ensembl +Cod (Gadus morhua) gmorhua_gene_ensembl +Coelacanth (Latimeria chalumnae) lchalumnae_gene_ensembl +Cow (Bos taurus) btaurus_gene_ensembl +Dog (Canis lupus familiaris) cfamiliaris_gene_ensembl +Dolphin (Tursiops truncatus) ttruncatus_gene_ensembl +Duck (Anas platyrhynchos) aplatyrhynchos_gene_ensembl +Elephant (Loxodonta africana) lafricana_gene_ensembl +Ferret (Mustela putorius furo) mfuro_gene_ensembl +Flycatcher (Ficedula albicollis) falbicollis_gene_ensembl +Fruitfly (Drosophila melanogaster) dmelanogaster_gene_ensembl +Fugu (Takifugu rubripes) trubripes_gene_ensembl +Gibbon (Nomascus leucogenys) nleucogenys_gene_ensembl +Gorilla (Gorilla gorilla gorilla) ggorilla_gene_ensembl +Guinea Pig (Cavia porcellus) cporcellus_gene_ensembl +Hedgehog (Erinaceus europaeus) eeuropaeus_gene_ensembl +Horse (Equus caballus) ecaballus_gene_ensembl +Human (Homo sapiens) hsapiens_gene_ensembl +Hyrax (Procavia capensis) pcapensis_gene_ensembl +Kangaroo rat (Dipodomys ordii) dordii_gene_ensembl +Lamprey (Petromyzon marinus) pmarinus_gene_ensembl +Lesser hedgehog tenrec (Echinops telfairi) etelfairi_gene_ensembl +Macaque (Macaca mulatta) mmulatta_gene_ensembl +Marmoset (Callithrix jacchus) cjacchus_gene_ensembl +Medaka (Oryzias latipes) olatipes_gene_ensembl +Megabat (Pteropus vampyrus) pvampyrus_gene_ensembl +Microbat (Myotis lucifugus) mlucifugus_gene_ensembl +Mouse (Mus musculus) mmusculus_gene_ensembl +Mouse Lemur (Microcebus murinus) mmurinus_gene_ensembl +Opossum (Monodelphis domestica) mdomestica_gene_ensembl +Orangutan (Pongo abelii) pabelii_gene_ensembl +Panda (Ailuropoda melanoleuca) amelanoleuca_gene_ensembl +Pig (Sus scrofa) sscrofa_gene_ensembl +Pika (Ochotona princeps) oprinceps_gene_ensembl +Platyfish (Xiphophorus maculatus) xmaculatus_gene_ensembl +Platypus (Ornithorhynchus anatinus) oanatinus_gene_ensembl +Rabbit (Oryctolagus cuniculus) ocuniculus_gene_ensembl +Rat (Rattus norvegicus) rnorvegicus_gene_ensembl +S. cerevisiae (Saccharomyces cerevisiae) scerevisiae_gene_ensembl +Sheep (Ovis aries) oaries_gene_ensembl +Shrew (Sorex araneus) saraneus_gene_ensembl +Sloth (Choloepus hoffmanni) choffmanni_gene_ensembl +Spotted gar (Lepisosteus oculatus) loculatus_gene_ensembl +Squirrel (Ictidomys tridecemlineatus) itridecemlineatus_gene_ensembl +Stickleback (Gasterosteus aculeatus) gaculeatus_gene_ensembl +Tarsier (Tarsius syrichta) tsyrichta_gene_ensembl +Tasmanian devil (Sarcophilus harrisii) sharrisii_gene_ensembl +Tetraodon (Tetraodon nigroviridis) tnigroviridis_gene_ensembl +Tilapia (Oreochromis niloticus) oniloticus_gene_ensembl +Tree Shrew (Tupaia belangeri) tbelangeri_gene_ensembl +Turkey (Meleagris gallopavo) mgallopavo_gene_ensembl +Vervet-AGM (Chlorocebus sabaeus) csabaeus_gene_ensembl +Wallaby (Macropus eugenii) meugenii_gene_ensembl +Xenopus (Xenopus tropicalis) xtropicalis_gene_ensembl +Zebra Finch (Taeniopygia guttata) tguttata_gene_ensembl +Zebrafish (Danio rerio) drerio_gene_ensembl \ No newline at end of file diff -r 7e61179c5952 -r 2cafc729b2ae macros.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/macros.xml Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,105 @@ + + + + + + + + + + -frag_tol "${fragment_tol}" + -prec_tol "${precursor_ion_tol}" + -prec_ppm "${precursor_ion_tol_units}" + -enzyme "${enzyme}" + #set $fixed_mods_str = $fixed_modifications or '' + #set $variable_mods_str = $variable_modifications or '' + #if $fixed_mods_str + -fixed_mods "$fixed_mods_str" + #end if + #if $variable_mods_str + -variable_mods "$variable_mods_str" + #end if + -min_charge $min_charge + -max_charge $max_charge + -mc $missed_cleavages + -fi $forward_ion + -ri $reverse_ion + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + 10.1186/1471-2105-12-70 + 10.1002/pmic.201000595 + doi:10.1038/nbt.3109 + + + + diff -r 7e61179c5952 -r 2cafc729b2ae peptide_shaker.xml --- a/peptide_shaker.xml Wed Jun 25 11:50:38 2014 -0400 +++ b/peptide_shaker.xml Sun May 31 09:05:57 2015 -0400 @@ -1,211 +1,44 @@ - + - Perform protein identification using various search engines (using SearchGUI) and combine results with PeptideShaker. + Perform protein identification using various search engines based on results from SearchGUI - peptide_shaker - searchgui - + peptide_shaker - - - - - + + macros.xml + + - + $temp_stderr) - && - - ################ - ## Search CLI ## - ################ - (java -Djava.awt.headless=true -cp \$SEARCHGUI_JAR_PATH eu.isas.searchgui.cmd.SearchCLI - -temp_folder `pwd` - -spectrum_files \$cwd - -output_folder \$cwd/output - -id_params SEARCHGUI_IdentificationParameters.parameters - - -threads "\${GALAXY_SLOTS:-12}" - -correct_titles "${correct_titles}" - $missing_titles - -mgf_splitting "${mgf_splitting}" - -mgf_spectrum_count "${mgf_spectrum_count}" - - ## Turn of the protein tree generation as it can produce errors if the search is finished before the tree is created - ## the tree is generated afterwards in PeptideShaker - -protein_index 0 - - ##-makeblastdb_folder \$BLAST_ROOT_DIR - - #if $advanced.advanced_type_selector == "advanced": - - #if $advanced.xtandem.xtandem_selector == "yes" - -xtandem 1 - #else - -xtandem 0 - #end if - - #if $advanced.omssa.omssa_selector == "yes" - -omssa 1 - #else - -omssa 0 - #end if - - #if $advanced.msgf.msgf_selector == "yes" - -msgf 1 - #else - -msgf 0 - #end if - - #if $advanced.ms_amanda.ms_amanda_selector == "yes" - -ms_amanda 1 - #else - -ms_amanda 0 - #end if - - #else - -ms_amanda 0 - #end if - - 2>> $temp_stderr) - && - - ######################################################### - ## generate IdentificationParameters for PeptideShaker ## - ######################################################### - (java -cp \$PEPTIDESHAKER_JAR_PATH eu.isas.peptideshaker.cmd.IdentificationParametersCLI - -out PEPTIDESHAKER_IdentificationParameters.parameters - -prec_ppm "${precursor_ion_tol_units}" - -prec_tol "${precursor_ion_tol}" - -frag_tol "${fragment_tol}" - -enzyme "${enzyme}" - #set $fixed_mods_str = $fixed_modifications or '' - #set $variable_mods_str = $variable_modifications or '' - #if $fixed_mods_str - -fixed_mods "$fixed_mods_str" - #end if - #if $variable_mods_str - -variable_mods "$variable_mods_str" - #end if - -min_charge $min_charge - -max_charge $max_charge - -mc $missed_cleavages - -fi $forward_ion - -ri $reverse_ion - -db input_database.fasta - - 2>> $temp_stderr) - && - + ln -s '$searchgui_input' searchgui_input.zip && ###################### ## PeptideShakerCLI ## ###################### (java -cp \$PEPTIDESHAKER_JAR_PATH eu.isas.peptideshaker.cmd.PeptideShakerCLI - -temp_folder `pwd` - -experiment '${exp_str}' - -sample '${samp_str}' + -temp_folder \$cwd/PeptideShakerCLI + -experiment '$exp_str' + -sample '$samp_str' -replicate 1 - -spectrum_files \$cwd - -identification_files \$cwd/output - -out \$cwd/peptide_shaker_output.cps - -id_params PEPTIDESHAKER_IdentificationParameters.parameters + -identification_files \$cwd/searchgui_input.zip + -out \$cwd/peptideshaker_output.cps + -zip \$cwd/peptideshaker_output.zip + + -threads "\${GALAXY_SLOTS:-12}" ##Optional gene annotation parameter #if $species_type.species_type_selector != 'no_species_type': -species_type "${species_type.species_type_selector}" -species "${species_type.species}" + -species_update 1 #end if ##Optional processing parameters: @@ -229,132 +62,107 @@ -max_peptide_length "${filtering_options.max_peptide_length}" -max_precursor_error "${filtering_options.max_precursor_error}" -max_precursor_error_type "${filtering_options.max_precursor_error_type}" - -max_xtandem_e "${filtering_options.max_xtandem_e}" - -max_omssa_e "${filtering_options.max_omssa_e}" - -max_mascot_e "${filtering_options.max_mascot_e}" + ##-max_xtandem_e "${filtering_options.max_xtandem_e}" + ##-max_omssa_e "${filtering_options.max_omssa_e}" + ##-max_mascot_e "${filtering_options.max_mascot_e}" -exclude_unknown_ptms "${filtering_options.exclude_unknown_ptms}" #end if 2>> $temp_stderr) - && + + && + + echo "Running Reports"; ################################## ## PeptideShaker Report options ## ################################## - (java -cp \$PEPTIDESHAKER_JAR_PATH eu.isas.peptideshaker.cmd.ReportCLI - -temp_folder `pwd` - -in \$cwd/peptide_shaker_output.cps - -out_reports \$cwd/output_reports - #set $cleaned_list = str($outputs).split(',') - #if 'cps' in $cleaned_list: - #silent $cleaned_list.remove('cps') - #end if - #if 'mzidentML' in $cleaned_list: - #silent $cleaned_list.remove('mzidentML') - #end if - -reports #echo ','.join($cleaned_list)# - - 2>> $temp_stderr) - && #if 'mzidentML' in str($outputs).split(','): - java -cp \$PEPTIDESHAKER_JAR_PATH eu.isas.peptideshaker.cmd.MzidCLI - -in \$cwd/peptide_shaker_output.cps + echo "Generating mzIdentML"; + (java -cp \$PEPTIDESHAKER_JAR_PATH eu.isas.peptideshaker.cmd.MzidCLI + -in \$cwd/peptideshaker_output.zip -output_file output.mzid - -contact_first_name 'Proteomics' - -contact_last_name 'Galaxy' - -contact_email 'galaxyp@umn.edu' - -contact_address 'galaxyp@umn.edu' - -organization_name 'University of Minnesota' - -organization_email 'galaxyp@umn.edu' - -organization_address 'Minneapolis, MN 55455, Vereinigte Staaten' - ; + -contact_first_name "Proteomics" + -contact_last_name "Galaxy" + -contact_email "galaxyp@umn.edu" + -contact_address "galaxyp@umn.edu" + -organization_name "University of Minnesota" + -organization_email "galaxyp@umn.edu" + -organization_address "Minneapolis, MN 55455, Vereinigte Staaten" + 2>> $temp_stderr) + && #end if + + ## Generate Reports if the user has selected one of the 8 additional reports + ## 'cps', 'mzidentML' and 'zip' are not valid options for PeptideShaker + ## and will not be passed to the command line + #if set(["0","1","2","3","4","5","6","7"]).intersection( set( str( $outputs ).split(',') ) ): + + (java -cp \$PEPTIDESHAKER_JAR_PATH eu.isas.peptideshaker.cmd.ReportCLI + -temp_folder \$cwd/ReportCLI + -in \$cwd/peptideshaker_output.zip + -out_reports \$cwd/output_reports + #set $cleaned_list = str($outputs).split(',') + #if 'cps' in $cleaned_list: + #silent $cleaned_list.remove('cps') + #end if + #if 'mzidentML' in $cleaned_list: + #silent $cleaned_list.remove('mzidentML') + #end if + #if 'zip' in $cleaned_list: + #silent $cleaned_list.remove('zip') + #end if + ## Only numbers are left over. These corresponds to different reports. + -reports #echo ','.join($cleaned_list)# + + 2>> $temp_stderr) + && + #end if + + #if '0' in str($outputs).split(','): - find \$cwd/output_reports -name '*Certificate*' -exec bash -c 'mv "$0" "certificate.txt"' {} \; - ; - #end if - #if '2' in str($outputs).split(','): - find \$cwd/output_reports -name '*PSM*' -exec bash -c 'mv "$0" "psm.txt"' {} \; - ; - #end if - #if '3' in str($outputs).split(','): - find \$cwd/output_reports -name '*Peptide*' -exec bash -c 'mv "$0" "peptides.txt"' {} \; - ; - #end if - #if '4' in str($outputs).split(','): - find \$cwd/output_reports -name '*Protein*' -exec bash -c 'mv "$0" "proteins.txt"' {} \; + find \$cwd/output_reports -name '*Certificate_of_Analysis*' -exec bash -c 'mv "$0" "certificate.txt"' {} \; ; #end if #if '1' in str($outputs).split(','): find \$cwd/output_reports -name '*Hierarchical*' -exec bash -c 'mv "$0" "hierarchical.txt"' {} \; ; #end if + #if '2' in str($outputs).split(','): + find \$cwd/output_reports -name '*PSM_Phosphorylation_Report*' -exec bash -c 'mv "$0" "psm_phospho.txt"' {} \; + ; + #end if + #if '3' in str($outputs).split(','): + find \$cwd/output_reports -name '*PSM_Report*' -exec bash -c 'mv "$0" "psm.txt"' {} \; + ; + #end if + #if '4' in str($outputs).split(','): + find \$cwd/output_reports -name '*Peptide_Phosphorylation_Report*' -exec bash -c 'mv "$0" "peptides_phospho.txt"' {} \; + ; + #end if + #if '5' in str($outputs).split(','): + find \$cwd/output_reports -name '*Peptide_Report*' -exec bash -c 'mv "$0" "peptides.txt"' {} \; + ; + #end if + #if '6' in str($outputs).split(','): + find \$cwd/output_reports -name '*Protein_Phosphorylation_Report*' -exec bash -c 'mv "$0" "proteins_phospho.txt"' {} \; + ; + #end if + #if '7' in str($outputs).split(','): + find \$cwd/output_reports -name '*Protein_Report*' -exec bash -c 'mv "$0" "proteins.txt"' {} \; + ; + #end if exit_code_for_galaxy=\$?; - cat $temp_stderr 2>&1; + cat $temp_stderr 2>&1; (exit \$exit_code_for_galaxy) +]]> - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + @@ -385,7 +199,12 @@ + + + + + @@ -395,77 +214,102 @@ - - - - - - - - - - + + + + + + + + + + + + + - + + + + + + - + + + - - - - - - - + + + + + + + + + + + + - + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -480,27 +324,38 @@ - + + + + + + + + + + + - - - + - + + + + @@ -508,6 +363,8 @@ + + @@ -515,179 +372,77 @@ - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - - @@ -698,7 +453,7 @@ - @@ -719,80 +474,111 @@ - + - - - + + + - - - + + + - + - - - + + + + + + + 'mzidentML' in outputs - + 'cps' in outputs + + 'zip' in outputs + '0' in outputs - + + '1' in outputs + + '2' in outputs - + '3' in outputs - + '4' in outputs - - '1' in outputs + + '5' in outputs + + + '6' in outputs + + + '7' in outputs - - - - - - - - + - - - - - - - - - + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + @@ -814,8 +600,8 @@ ---------- * Protein(s): Protein(s) to which the peptide can be attached -* Sequence: Sequence of the peptide -* Variable Modifications: The variable modifications +* Sequence: Sequence of the peptide +* Variable Modifications: The variable modifications * D-score: D-score for variable PTM localization * probabilistic PTM score: The probabilistic score (e.g. A-score or PhosphoRS) used for variable PTM localization. * Localization Confidence: The confidence in variable PTM localization. @@ -945,8 +731,6 @@ * Validation: Indicates the validation level of the protein group. - - ------ **Citation** @@ -955,4 +739,5 @@ If you use this tool in Galaxy, please cite Chilton J, Ira Cooke, Bjoern Gruening et al. https://bitbucket.org/galaxyp/peptideshaker + diff -r 7e61179c5952 -r 2cafc729b2ae repository_dependencies.xml --- a/repository_dependencies.xml Wed Jun 25 11:50:38 2014 -0400 +++ b/repository_dependencies.xml Sun May 31 09:05:57 2015 -0400 @@ -1,4 +1,4 @@ - + diff -r 7e61179c5952 -r 2cafc729b2ae searchgui.xml --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/searchgui.xml Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,365 @@ + + + Perform protein identification using various search engines and prepare results for input to Peptide Shaker + + + searchgui + + + macros.xml + + + + $temp_stderr) + && + + ################ + ## Search CLI ## + ################ + (java -Djava.awt.headless=true -cp \$SEARCHGUI_JAR_PATH eu.isas.searchgui.cmd.SearchCLI + -temp_folder `pwd` + -spectrum_files \$cwd + -output_folder \$cwd/output + -id_params SEARCHGUI_IdentificationParameters.parameters + + -threads "\${GALAXY_SLOTS:-12}" + -correct_titles "${correct_titles}" + $missing_titles + -mgf_splitting "${mgf_splitting}" + -mgf_spectrum_count "${mgf_spectrum_count}" + + ## Turn of the protein tree generation as it can produce errors if the search is finished before the tree is created + ## the tree is generated afterwards in PeptideShaker + -protein_index 0 + + ##-makeblastdb_folder \$BLAST_ROOT_DIR + + #if $advanced.advanced_type_selector == "advanced": + + #if $advanced.xtandem.xtandem_selector == "yes" + -xtandem 1 + #else + -xtandem 0 + #end if + + #if $advanced.omssa.omssa_selector == "yes" + -omssa 1 + #else + -omssa 0 + #end if + + #if $advanced.msgf.msgf_selector == "yes" + -msgf 1 + #else + -msgf 0 + #end if + + #if $advanced.myrimatch.myrimatch_selector == "yes" + -myrimatch 1 + #else + -myrimatch 0 + #end if + + #if $advanced.comet.comet_selector == "yes" + -comet 1 + #else + -comet 0 + #end if + + #if $advanced.ms_amanda.ms_amanda_selector == "yes" + -ms_amanda 1 + #else + -ms_amanda 0 + #end if + + #if $advanced.tide.tide_selector == "yes" + -tide 1 + #else + -tide 0 + #end if + + #else + -ms_amanda 0 -tide 0 + #end if + + ## single zip file + -output_option 0 + + ## mgf and database in output + -output_data 1 + + 2>> $temp_stderr) + + && + + (mv output/searchgui_out.zip searchgui_out.zip 2>> $temp_stderr) + + && + + exit_code_for_galaxy=\$?; + cat $temp_stderr 2>&1; + (exit \$exit_code_for_galaxy) +]]> + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + + +**What it does** + +Runs multiple search engines on any number of MGF peak lists using the SearchGUI. + +By default X! Tandem, OMSSA, MS-GF+, Myrimatch and Comet are run. Optionally, Amanda and Tide engines can also be run. + + + + diff -r 7e61179c5952 -r 2cafc729b2ae test-data/._tinyoutput.cps Binary file test-data/._tinyoutput.cps has changed diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_certificate_result2.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/peptide_shaker_certificate_result2.tabular Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,68 @@ +Project Details1: PeptideShaker Version: 0.37.4-beta +2: Date: Sat Feb 14 20:04:49 CET 2015 +3: Experiment: Galaxy_Experiment_2015021420041423940686 +4: Sample: Sample_2015021420041423940686 +5: Replicate Number: 1 +6: Identification Algorithms: X!Tandem and MS-GF+ +Database Search Parameters + +1: Precursor Accuracy Unit: ppm +2: Precursor Ion m/z Tolerance: 100.0 +3: Fragment Ion m/z Tolerance: 0.5 +4: Enzyme: Trypsin +5: Number of Missed Cleavages: Not implemented +6: Database: input_database.fasta +7: Forward Ion: b +8: Rewind Ion: y +9: Fixed Modifications: carbamidomethyl c +10: Variable Modifications: oxidation of m, acetylation of protein n-term, pyro-cmc, pyro-glu from n-term e, pyro-glu from n-term q +11: Refinement Variable Modifications: +12: Refinement Fixed Modifications: +Input Filters + +1: Minimal Peptide Length: 1 +2: Maximal Peptide Length: 30 +3: Precursor m/z Tolerance: 10.0 +4: Precursor m/z Tolerance Unit: Yes +5: Unrecognized Modifications Discarded: No +Validation Summary + +1: #Validated Proteins: 0.0 +2: Protein Total: 0.0 +3Protein FDR Limit: 1.0 % +4: Protein FNR Limit: 0.0 % +5: Protein Confidence Limit: -1.0 % +6: Protein PEP Limit: 101.0 % +7: Protein Confidence Accuracy: 0.0 % +8: #Validated Peptides: 0.0 +9: Peptide Total: 0.0 +10: Peptide FDR Limit: 1.0 % +11: Peptide FNR Limit: 0.0 % +12: Peptide Confidence Limit: -1.0 % +13: Peptide PEP Limit: 101.0 % +14: Peptide Confidence Accuracy: 0.0 % +15: #Validated PSM: 0.0 +16: PSM Total: 0.0 +17: PSM FDR Limit: 1.0 % +18: PSM FNR Limit: 0.0 % +19: PSM Confidence Limit: -1.0 % +20: PSM PEP Limit: 101.0 % +21: PSM Confidence Accuracy: 0.0 % +Postranslational Modification Scoring Settings + +1: A-score: No +2: Accounting for Neutral Losses: No +3: False Location Rate: 1.0 +Spectrum Counting Parameters + +1: Method: NSAF +2: Validated Matches Only: Yes +Annotation Settings + +1: Intensity Limit: 0.75 +2: Automatic Annotation: Yes +3: Selected Ions: b, y +4: Neutral Losses: NH3, H2O +5: Neutral Losses Sequence Dependence: Yes +6: Selected Charges: 1, 2 +7: Fragment Ion m/z Tolerance: 0.5 diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_hierarchical_result2.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/peptide_shaker_hierarchical_result2.tabular Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,78 @@ + Main Accession Description MW [kDa] Coverage [%] Possible Coverage [%] Spectrum Counting NSAF Confidently Localized Modification Sites # Confidently Localized Modification Sites Ambiguously Localized Modification Sites #Ambiguously Localized Modification Sites PI Secondary Accessions Protein Group #Validated Peptides #Peptides #Unique #Validated PSMs #PSMs Confidence Decoy Validation +1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67 69.88215372568374 3757.96 92.52 0.014450915311500504 Related Proteins cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 15 15 15 39 39 100.0 0 Doubtful + Protein(s) Sequence AAs Before AAs After Variable Modifications Fixed Modifications Localization Confidence #Validated PSMs #PSMs Confidence Decoy Validation +1.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR LK; LK IN; IN 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.1.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR NH2-ISITTYEEEIEDLHATAR-COOH tinyspectra.mgf Cmpd 752, +MSn(697.6842), 76.3 min -1.0 697.68418 3+ 3+ 2090.0167716836995 0 6.659655420038472 0 100.0 Doubtful +1.1.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR NH2-ISITTYEEEIEDLHATAR-COOH tinyspectra.mgf Cmpd 752, MSn(697.6842), 76.3 min -1.0 697.68418 3+ 3+ 2090.0167716836995 0 6.659655420038472 0 100.0 Doubtful +1.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK AK; AK IS; IS 4 4 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.2.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK NH2-NLLLDANKENGELK-COOH tinyspectra.mgf Cmpd 204, +MSn(524.2825), 35.5 min -1.0 524.28252 3+ 3+ 1569.8362346836998 0 -6.678342042310128 0 100.0 Doubtful +1.2.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK NH2-NLLLDANKENGELK-COOH tinyspectra.mgf Cmpd 207, +MSn(785.9179), 35.7 min -1.0 785.91791 2+ 2+ 1569.8362346836998 0 -9.522288910374096 0 100.0 Doubtful +1.2.3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK NH2-NLLLDANKENGELK-COOH tinyspectra.mgf Cmpd 207, MSn(785.9179), 35.7 min -1.0 785.91791 2+ 2+ 1569.8362346836998 0 -9.522288910374096 0 100.0 Doubtful +1.2.4 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK NH2-NLLLDANKENGELK-COOH tinyspectra.mgf Cmpd 204, MSn(524.2825), 35.5 min -1.0 524.28252 3+ 3+ 1569.8362346836998 0 -6.678342042310128 0 100.0 Doubtful +1.3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR VR; VR LK; LK 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.3.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR NH2-SLQAENEQLR-COOH tinyspectra.mgf Cmpd 39, +MSn(594.3056), 25.0 min -1.0 594.30561 2+ 2+ 1186.5942146837 0 2.0632379154490605 0 100.0 Doubtful +1.3.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR NH2-SLQAENEQLR-COOH tinyspectra.mgf Cmpd 39, MSn(594.3056), 25.0 min -1.0 594.30561 2+ 2+ 1186.5942146837 0 2.0632379154490605 0 100.0 Doubtful +1.4 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK AR; AR LI; LI 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.4.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK NH2-INEDRIDELQDKVNK-COOH tinyspectra.mgf Cmpd 81, +MSn(610.3171), 27.0 min -1.0 610.31708 3+ 3+ 1827.9326546837003 0 -1.7717994436305495 0 100.0 Doubtful +1.4.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK NH2-INEDRIDELQDKVNK-COOH tinyspectra.mgf Cmpd 81, MSn(610.3171), 27.0 min -1.0 610.31708 3+ 3+ 1827.9326546837003 0 -1.7717994436305495 0 100.0 Doubtful +1.5 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR MK; MK SN; SN 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.5.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR NH2-MEIITITNQLQR-COOH tinyspectra.mgf Cmpd 636, +MSn(730.3981), 66.9 min -1.0 730.39814 2+ 2+ 1458.7864506836997 0 -3.233580283650776 0 100.0 Doubtful +1.5.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR NH2-MEIITITNQLQR-COOH tinyspectra.mgf Cmpd 636, MSn(730.3981), 66.9 min -1.0 730.39814 2+ 2+ 1458.7864506836997 0 -3.233580283650776 0 100.0 Doubtful +1.6 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK NK; NK LS; LS 3 3 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.6.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK NH2-LHVEMESMIEELQMLMDAK-COOH tinyspectra.mgf Cmpd 1198, +MSn(1139.0413), 115.6 min -1.0 1139.04127 2+ 2+ 2276.0560846836997 0 5.224764535153943 0 100.0 Doubtful +1.6.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK NH2-LHVEMESMIEELQMLMDAK-COOH tinyspectra.mgf Cmpd 1197, +MSn(759.6966), 115.6 min -1.0 759.69661 3+ 3+ 2276.0560846836997 0 5.228393373659577 0 100.0 Doubtful +1.6.3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK NH2-LHVEMESMIEELQMLMDAK-COOH tinyspectra.mgf Cmpd 1197, MSn(759.6966), 115.6 min -1.0 759.69661 3+ 3+ 2276.0560846836997 0 5.228393373659577 0 100.0 Doubtful +1.7 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR AR; AR QS; QS 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.7.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR NH2-YESQLSQIR-COOH tinyspectra.mgf Cmpd 67, +MSn(562.2947), 26.3 min -1.0 562.29468 2+ 2+ 1122.5669286837 0 7.00561302556395 0 100.0 Doubtful +1.7.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR NH2-YESQLSQIR-COOH tinyspectra.mgf Cmpd 67, MSn(562.2947), 26.3 min -1.0 562.29468 2+ 2+ 1122.5669286837 0 7.00561302556395 0 100.0 Doubtful +1.8 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR QK; QK SV; SV 4 4 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.8.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR NH2-VGNLEEELEFLR-COOH tinyspectra.mgf Cmpd 875, +MSn(483.2538), 89.2 min -1.0 483.25374 3+ 3+ 1446.7354586837 0 2.7121200881231644 0 100.0 Doubtful +1.8.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR NH2-VGNLEEELEFLR-COOH tinyspectra.mgf Cmpd 871, +MSn(724.3762), 88.9 min -1.0 724.37624 2+ 2+ 1446.7354586837 0 1.7038016610019715 0 100.0 Doubtful +1.8.3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR NH2-VGNLEEELEFLR-COOH tinyspectra.mgf Cmpd 875, MSn(483.2538), 89.2 min -1.0 483.25374 3+ 3+ 1446.7354586837 0 2.7121200881231644 0 100.0 Doubtful +1.8.4 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR NH2-VGNLEEELEFLR-COOH tinyspectra.mgf Cmpd 871, MSn(724.3762), 88.9 min -1.0 724.37624 2+ 2+ 1446.7354586837 0 1.7038016610019715 0 100.0 Doubtful +1.9 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR RR; RR AS; AS 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.9.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH tinyspectra.mgf Cmpd 220, +MSn(824.3852), 36.3 min -1.0 824.38516 3+ 3+ 2470.1263816837 0 2.9391347559636922 0 100.0 Doubtful +1.9.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH tinyspectra.mgf Cmpd 220, MSn(824.3852), 36.3 min -1.0 824.38516 3+ 3+ 2470.1263816837 0 2.9391347559636922 0 100.0 Doubtful +1.10 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR NR; NR SE; SE 4 4 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.10.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR NH2-ISTGYITENIGGFR-COOH tinyspectra.mgf Cmpd 591, +MSn(509.9328), 63.7 min -1.0 509.93283 3+ 3+ 1526.7728996836997 0 2.458444778796749 0 100.0 Doubtful +1.10.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR NH2-ISTGYITENIGGFR-COOH tinyspectra.mgf Cmpd 588, +MSn(764.3961), 63.5 min -1.0 764.39611 2+ 2+ 1526.7728996836997 0 3.1184077735785474 0 100.0 Doubtful +1.10.3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR NH2-ISTGYITENIGGFR-COOH tinyspectra.mgf Cmpd 591, MSn(509.9328), 63.7 min -1.0 509.93283 3+ 3+ 1526.7728996836997 0 2.458444778796749 0 100.0 Doubtful +1.10.4 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR NH2-ISTGYITENIGGFR-COOH tinyspectra.mgf Cmpd 588, MSn(764.3961), 63.5 min -1.0 764.39611 2+ 2+ 1526.7728996836997 0 3.1184077735785474 0 100.0 Doubtful +1.11 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK RR; RR NL; NL 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.11.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK NH2-EFDVEPLKEAYQAEIDEAK-COOH tinyspectra.mgf Cmpd 736, +MSn(742.0258), 75.1 min -1.0 742.02585 3+ 3+ 2223.0583016837 0 -1.1594749443833878 0 100.0 Doubtful +1.11.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK NH2-EFDVEPLKEAYQAEIDEAK-COOH tinyspectra.mgf Cmpd 736, MSn(742.0258), 75.1 min -1.0 742.02585 3+ 3+ 2223.0583016837 0 -1.1594749443833878 0 100.0 Doubtful +1.12 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK GR; GR DM; DM 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.12.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK NH2-ASLGMAAGVAGGIATK-COOH tinyspectra.mgf Cmpd 357, +MSn(687.8723), 46.6 min -1.0 687.87224 2+ 2+ 1373.7336876837 0 -2.733506911277659 0 100.0 Doubtful +1.12.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK NH2-ASLGMAAGVAGGIATK-COOH tinyspectra.mgf Cmpd 357, MSn(687.8723), 46.6 min -1.0 687.87224 2+ 2+ 1373.7336876837 0 -2.733506911277659 0 100.0 Doubtful +1.13 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR AK; AK; AK NS; NS; NS 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.13.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR NH2-KGDIIATVDEWGPVNR-COOH tinyspectra.mgf Cmpd 582, +MSn(590.6452), 63.2 min -1.0 590.64518 3+ 3+ 1768.9107986836998 0 1.6433558579610066 0 100.0 Doubtful +1.13.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR NH2-KGDIIATVDEWGPVNR-COOH tinyspectra.mgf Cmpd 582, MSn(590.6452), 63.2 min -1.0 590.64518 3+ 3+ 1768.9107986836998 0 1.6433558579610066 0 100.0 Doubtful +1.14 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK DR; DR; DR ID; ID; ID 4 4 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.14.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK NH2-LISATSISPEHK-COOH tinyspectra.mgf Cmpd 75, +MSn(641.8547), 26.7 min -1.0 641.85466 2+ 2+ 1281.6928656837001 0 1.4811651380377848 0 100.0 Doubtful +1.14.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK NH2-LISATSISPEHK-COOH tinyspectra.mgf Cmpd 72, +MSn(428.2391), 26.6 min -1.0 428.23909 3+ 3+ 1281.6928656837001 0 2.0042705774391996 0 100.0 Doubtful +1.14.3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK NH2-LISATSISPEHK-COOH tinyspectra.mgf Cmpd 72, MSn(428.2391), 26.6 min -1.0 428.23909 3+ 3+ 1281.6928656837001 0 2.0042705774391996 0 100.0 Doubtful +1.14.4 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK NH2-LISATSISPEHK-COOH tinyspectra.mgf Cmpd 75, MSn(641.8547), 26.7 min -1.0 641.85466 2+ 2+ 1281.6928656837001 0 1.4811651380377848 0 100.0 Doubtful +1.15 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR SK; SK; SK SK; SK; SK 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1.15.1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR NH2-SVISIGEVESEGQYVTLENTSSGR-COOH tinyspectra.mgf Cmpd 758, +MSn(847.7508), 76.8 min -1.0 847.75082 3+ 3+ 2540.2241966836996 0 2.5298047449054923 0 100.0 Doubtful +1.15.2 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR NH2-SVISIGEVESEGQYVTLENTSSGR-COOH tinyspectra.mgf Cmpd 758, MSn(847.7508), 76.8 min -1.0 847.75082 3+ 3+ 2540.2241966836996 0 2.5298047449054923 0 100.0 Doubtful +2 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91 69.9696370486838 325.2 100.0 0.0032520325203252032 Related Proteins cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 1 1 1 2 2 100.0 0 Doubtful + Protein(s) Sequence AAs Before AAs After Variable Modifications Fixed Modifications Localization Confidence #Validated PSMs #PSMs Confidence Decoy Validation +2.1 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91; cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK MR; MR YQ; YQ 2 2 100.0 0 Doubtful + Protein(s) Sequence Modified Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +2.1.1 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK NH2-EIRDEYDNQLNLLSADLESK-COOH tinyspectra.mgf Cmpd 748, +MSn(789.0604), 76.1 min -1.0 789.06034 3+ 3+ 2364.1444886837 0 6.210765906697086 0 100.0 Doubtful +2.1.2 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK NH2-EIRDEYDNQLNLLSADLESK-COOH tinyspectra.mgf Cmpd 748, MSn(789.0604), 76.1 min -1.0 789.06034 3+ 3+ 2364.1444886837 0 6.210765906697086 0 100.0 Doubtful diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_peptides_phoshorylation_result2.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/peptide_shaker_peptides_phoshorylation_result2.tabular Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,17 @@ + Protein(s) Sequence Modified Sequence AAs Before AAs After Variable Modifications Fixed Modifications Localization Confidence Confident Phosphosites #Confident Phosphosites Ambiguous Phosphosites #Ambiguous Phosphosites #Validated PSMs #PSMs Confidence Decoy Validation +1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR NH2-ISITTYEEEIEDLHATAR-COOH LK; LK IN; IN 2 2 100.0 0 Doubtful +2 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91; cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK NH2-EIRDEYDNQLNLLSADLESK-COOH MR; MR YQ; YQ 2 2 100.0 0 Doubtful +3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK NH2-NLLLDANKENGELK-COOH AK; AK IS; IS 4 4 100.0 0 Doubtful +4 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR NH2-SLQAENEQLR-COOH VR; VR LK; LK 2 2 100.0 0 Doubtful +5 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK NH2-INEDRIDELQDKVNK-COOH AR; AR LI; LI 2 2 100.0 0 Doubtful +6 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR NH2-MEIITITNQLQR-COOH MK; MK SN; SN 2 2 100.0 0 Doubtful +7 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK NH2-LHVEMESMIEELQMLMDAK-COOH NK; NK LS; LS 3 3 100.0 0 Doubtful +8 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR NH2-YESQLSQIR-COOH AR; AR QS; QS 2 2 100.0 0 Doubtful +9 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR NH2-VGNLEEELEFLR-COOH QK; QK SV; SV 4 4 100.0 0 Doubtful +10 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR NH2-KGDIIATVDEWGPVNR-COOH AK; AK; AK NS; NS; NS 2 2 100.0 0 Doubtful +11 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK NH2-LISATSISPEHK-COOH DR; DR; DR ID; ID; ID 4 4 100.0 0 Doubtful +12 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH RR; RR AS; AS 2 2 100.0 0 Doubtful +13 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR NH2-ISTGYITENIGGFR-COOH NR; NR SE; SE 4 4 100.0 0 Doubtful +14 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK NH2-EFDVEPLKEAYQAEIDEAK-COOH RR; RR NL; NL 2 2 100.0 0 Doubtful +15 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR NH2-SVISIGEVESEGQYVTLENTSSGR-COOH SK; SK; SK SK; SK; SK 2 2 100.0 0 Doubtful +16 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK NH2-ASLGMAAGVAGGIATK-COOH GR; GR DM; DM 2 2 100.0 0 Doubtful diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_peptides_result2.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/peptide_shaker_peptides_result2.tabular Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,17 @@ + Protein(s) Sequence Modified Sequence AAs Before AAs After Variable Modifications Fixed Modifications Localization Confidence #Validated PSMs #PSMs Confidence Decoy Validation +1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR NH2-ISITTYEEEIEDLHATAR-COOH LK; LK IN; IN 2 2 100.0 0 Doubtful +2 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91; cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK NH2-EIRDEYDNQLNLLSADLESK-COOH MR; MR YQ; YQ 2 2 100.0 0 Doubtful +3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK NH2-NLLLDANKENGELK-COOH AK; AK IS; IS 4 4 100.0 0 Doubtful +4 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR NH2-SLQAENEQLR-COOH VR; VR LK; LK 2 2 100.0 0 Doubtful +5 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK NH2-INEDRIDELQDKVNK-COOH AR; AR LI; LI 2 2 100.0 0 Doubtful +6 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR NH2-MEIITITNQLQR-COOH MK; MK SN; SN 2 2 100.0 0 Doubtful +7 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK NH2-LHVEMESMIEELQMLMDAK-COOH NK; NK LS; LS 3 3 100.0 0 Doubtful +8 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR NH2-YESQLSQIR-COOH AR; AR QS; QS 2 2 100.0 0 Doubtful +9 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR NH2-VGNLEEELEFLR-COOH QK; QK SV; SV 4 4 100.0 0 Doubtful +10 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR NH2-KGDIIATVDEWGPVNR-COOH AK; AK; AK NS; NS; NS 2 2 100.0 0 Doubtful +11 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK NH2-LISATSISPEHK-COOH DR; DR; DR ID; ID; ID 4 4 100.0 0 Doubtful +12 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR NH2-SHVVGAGLGGGSMGSMNQSMSLHGGR-COOH RR; RR AS; AS 2 2 100.0 0 Doubtful +13 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR NH2-ISTGYITENIGGFR-COOH NR; NR SE; SE 4 4 100.0 0 Doubtful +14 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK NH2-EFDVEPLKEAYQAEIDEAK-COOH RR; RR NL; NL 2 2 100.0 0 Doubtful +15 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67; cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR NH2-SVISIGEVESEGQYVTLENTSSGR-COOH SK; SK; SK SK; SK; SK 2 2 100.0 0 Doubtful +16 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67; cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK NH2-ASLGMAAGVAGGIATK-COOH GR; GR DM; DM 2 2 100.0 0 Doubtful diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_peptides_result3.tabular diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_proteins_phoshorylation_result2.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/peptide_shaker_proteins_phoshorylation_result2.tabular Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,3 @@ + Main Accession Description Gene Name Chromosome MW [kDa] Coverage [%] Possible Coverage [%] Spectrum Counting NSAF Confident Phosphosites #Confident Phosphosites Ambiguous Phosphosites #Ambiguous Phosphosites PI Secondary Accessions Protein Group #Validated Peptides #Peptides #Unique #Validated PSMs #PSMs Confidence Decoy Validation +1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67 69.88215372568374 3757.96 92.52 0.014450915311500504 0 0 Related Proteins cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 15 15 15 39 39 100.0 0 Doubtful +2 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91 69.9696370486838 325.2 100.0 0.0032520325203252032 0 0 Related Proteins cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 1 1 1 2 2 100.0 0 Doubtful diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_proteins_result2.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/peptide_shaker_proteins_result2.tabular Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,3 @@ + Main Accession Description Gene Name Chromosome MW [kDa] Coverage [%] Possible Coverage [%] Spectrum Counting NSAF Confidently Localized Modification Sites # Confidently Localized Modification Sites Ambiguously Localized Modification Sites #Ambiguously Localized Modification Sites PI Secondary Accessions Protein Group #Validated Peptides #Peptides #Unique #Validated PSMs #PSMs Confidence Decoy Validation +1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67 69.88215372568374 3757.96 92.52 0.014450915311500504 Related Proteins cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 15 15 15 39 39 100.0 0 Doubtful +2 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91 69.9696370486838 325.2 100.0 0.0032520325203252032 Related Proteins cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 1 1 1 2 2 100.0 0 Doubtful diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_psm_phoshorylation_result2.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/peptide_shaker_psm_phoshorylation_result2.tabular Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,42 @@ + Protein(s) Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confident Phosphosites #Confident Phosphosites Ambiguous Phosphosites #Ambiguous Phosphosites Confidence Validation +1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR tinyspectra.mgf Cmpd 752, +MSn(697.6842), 76.3 min -1.0 697.68418 3+ 3+ 2090.0167716836995 0 6.659655420038472 0 100.0 Doubtful +2 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK tinyspectra.mgf Cmpd 748, +MSn(789.0604), 76.1 min -1.0 789.06034 3+ 3+ 2364.1444886837 0 6.210765906697086 0 100.0 Doubtful +3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 204, +MSn(524.2825), 35.5 min -1.0 524.28252 3+ 3+ 1569.8362346836998 0 -6.678342042310128 0 100.0 Doubtful +4 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR tinyspectra.mgf Cmpd 39, +MSn(594.3056), 25.0 min -1.0 594.30561 2+ 2+ 1186.5942146837 0 2.0632379154490605 0 100.0 Doubtful +5 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK tinyspectra.mgf Cmpd 81, +MSn(610.3171), 27.0 min -1.0 610.31708 3+ 3+ 1827.9326546837003 0 -1.7717994436305495 0 100.0 Doubtful +6 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR tinyspectra.mgf Cmpd 636, +MSn(730.3981), 66.9 min -1.0 730.39814 2+ 2+ 1458.7864506836997 0 -3.233580283650776 0 100.0 Doubtful +7 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK tinyspectra.mgf Cmpd 1198, +MSn(1139.0413), 115.6 min -1.0 1139.04127 2+ 2+ 2276.0560846836997 0 5.224764535153943 0 100.0 Doubtful +8 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR tinyspectra.mgf Cmpd 67, +MSn(562.2947), 26.3 min -1.0 562.29468 2+ 2+ 1122.5669286837 0 7.00561302556395 0 100.0 Doubtful +9 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 207, +MSn(785.9179), 35.7 min -1.0 785.91791 2+ 2+ 1569.8362346836998 0 -9.522288910374096 0 100.0 Doubtful +10 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK tinyspectra.mgf Cmpd 1197, +MSn(759.6966), 115.6 min -1.0 759.69661 3+ 3+ 2276.0560846836997 0 5.228393373659577 0 100.0 Doubtful +11 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 875, +MSn(483.2538), 89.2 min -1.0 483.25374 3+ 3+ 1446.7354586837 0 2.7121200881231644 0 100.0 Doubtful +12 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR tinyspectra.mgf Cmpd 582, +MSn(590.6452), 63.2 min -1.0 590.64518 3+ 3+ 1768.9107986836998 0 1.6433558579610066 0 100.0 Doubtful +13 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 75, +MSn(641.8547), 26.7 min -1.0 641.85466 2+ 2+ 1281.6928656837001 0 1.4811651380377848 0 100.0 Doubtful +14 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 871, +MSn(724.3762), 88.9 min -1.0 724.37624 2+ 2+ 1446.7354586837 0 1.7038016610019715 0 100.0 Doubtful +15 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR tinyspectra.mgf Cmpd 220, +MSn(824.3852), 36.3 min -1.0 824.38516 3+ 3+ 2470.1263816837 0 2.9391347559636922 0 100.0 Doubtful +16 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 591, +MSn(509.9328), 63.7 min -1.0 509.93283 3+ 3+ 1526.7728996836997 0 2.458444778796749 0 100.0 Doubtful +17 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK tinyspectra.mgf Cmpd 736, +MSn(742.0258), 75.1 min -1.0 742.02585 3+ 3+ 2223.0583016837 0 -1.1594749443833878 0 100.0 Doubtful +18 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 72, +MSn(428.2391), 26.6 min -1.0 428.23909 3+ 3+ 1281.6928656837001 0 2.0042705774391996 0 100.0 Doubtful +19 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 588, +MSn(764.3961), 63.5 min -1.0 764.39611 2+ 2+ 1526.7728996836997 0 3.1184077735785474 0 100.0 Doubtful +20 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR tinyspectra.mgf Cmpd 758, +MSn(847.7508), 76.8 min -1.0 847.75082 3+ 3+ 2540.2241966836996 0 2.5298047449054923 0 100.0 Doubtful +21 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK tinyspectra.mgf Cmpd 357, +MSn(687.8723), 46.6 min -1.0 687.87224 2+ 2+ 1373.7336876837 0 -2.733506911277659 0 100.0 Doubtful +22 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK tinyspectra.mgf Cmpd 736, MSn(742.0258), 75.1 min -1.0 742.02585 3+ 3+ 2223.0583016837 0 -1.1594749443833878 0 100.0 Doubtful +23 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR tinyspectra.mgf Cmpd 636, MSn(730.3981), 66.9 min -1.0 730.39814 2+ 2+ 1458.7864506836997 0 -3.233580283650776 0 100.0 Doubtful +24 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 591, MSn(509.9328), 63.7 min -1.0 509.93283 3+ 3+ 1526.7728996836997 0 2.458444778796749 0 100.0 Doubtful +25 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR tinyspectra.mgf Cmpd 39, MSn(594.3056), 25.0 min -1.0 594.30561 2+ 2+ 1186.5942146837 0 2.0632379154490605 0 100.0 Doubtful +26 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR tinyspectra.mgf Cmpd 67, MSn(562.2947), 26.3 min -1.0 562.29468 2+ 2+ 1122.5669286837 0 7.00561302556395 0 100.0 Doubtful +27 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR tinyspectra.mgf Cmpd 752, MSn(697.6842), 76.3 min -1.0 697.68418 3+ 3+ 2090.0167716836995 0 6.659655420038472 0 100.0 Doubtful +28 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 207, MSn(785.9179), 35.7 min -1.0 785.91791 2+ 2+ 1569.8362346836998 0 -9.522288910374096 0 100.0 Doubtful +29 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 875, MSn(483.2538), 89.2 min -1.0 483.25374 3+ 3+ 1446.7354586837 0 2.7121200881231644 0 100.0 Doubtful +30 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 72, MSn(428.2391), 26.6 min -1.0 428.23909 3+ 3+ 1281.6928656837001 0 2.0042705774391996 0 100.0 Doubtful +31 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK tinyspectra.mgf Cmpd 81, MSn(610.3171), 27.0 min -1.0 610.31708 3+ 3+ 1827.9326546837003 0 -1.7717994436305495 0 100.0 Doubtful +32 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR tinyspectra.mgf Cmpd 758, MSn(847.7508), 76.8 min -1.0 847.75082 3+ 3+ 2540.2241966836996 0 2.5298047449054923 0 100.0 Doubtful +33 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 588, MSn(764.3961), 63.5 min -1.0 764.39611 2+ 2+ 1526.7728996836997 0 3.1184077735785474 0 100.0 Doubtful +34 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 871, MSn(724.3762), 88.9 min -1.0 724.37624 2+ 2+ 1446.7354586837 0 1.7038016610019715 0 100.0 Doubtful +35 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK tinyspectra.mgf Cmpd 1197, MSn(759.6966), 115.6 min -1.0 759.69661 3+ 3+ 2276.0560846836997 0 5.228393373659577 0 100.0 Doubtful +36 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 204, MSn(524.2825), 35.5 min -1.0 524.28252 3+ 3+ 1569.8362346836998 0 -6.678342042310128 0 100.0 Doubtful +37 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK tinyspectra.mgf Cmpd 748, MSn(789.0604), 76.1 min -1.0 789.06034 3+ 3+ 2364.1444886837 0 6.210765906697086 0 100.0 Doubtful +38 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR tinyspectra.mgf Cmpd 582, MSn(590.6452), 63.2 min -1.0 590.64518 3+ 3+ 1768.9107986836998 0 1.6433558579610066 0 100.0 Doubtful +39 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 75, MSn(641.8547), 26.7 min -1.0 641.85466 2+ 2+ 1281.6928656837001 0 1.4811651380377848 0 100.0 Doubtful +40 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR tinyspectra.mgf Cmpd 220, MSn(824.3852), 36.3 min -1.0 824.38516 3+ 3+ 2470.1263816837 0 2.9391347559636922 0 100.0 Doubtful +41 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK tinyspectra.mgf Cmpd 357, MSn(687.8723), 46.6 min -1.0 687.87224 2+ 2+ 1373.7336876837 0 -2.733506911277659 0 100.0 Doubtful diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_psm_result1.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/peptide_shaker_psm_result1.tabular Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,42 @@ + Protein(s) Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR tinyspectra.mgf Cmpd 752, +MSn(697.6842), 76.3 min -1.0 697.68418 3+ 3+ 2090.0167716836995 0 6.659655420038472 0 100.0 Doubtful +2 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK tinyspectra.mgf Cmpd 748, +MSn(789.0604), 76.1 min -1.0 789.06034 3+ 3+ 2364.1444886837 0 6.210765906697086 0 100.0 Doubtful +3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 204, +MSn(524.2825), 35.5 min -1.0 524.28252 3+ 3+ 1569.8362346836998 0 -6.678342042310128 0 100.0 Doubtful +4 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR tinyspectra.mgf Cmpd 39, +MSn(594.3056), 25.0 min -1.0 594.30561 2+ 2+ 1186.5942146837 0 2.0632379154490605 0 100.0 Doubtful +5 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK tinyspectra.mgf Cmpd 81, +MSn(610.3171), 27.0 min -1.0 610.31708 3+ 3+ 1827.9326546837003 0 -1.7717994436305495 0 100.0 Doubtful +6 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR tinyspectra.mgf Cmpd 636, +MSn(730.3981), 66.9 min -1.0 730.39814 2+ 2+ 1458.7864506836997 0 -3.233580283650776 0 100.0 Doubtful +7 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK tinyspectra.mgf Cmpd 1198, +MSn(1139.0413), 115.6 min -1.0 1139.04127 2+ 2+ 2276.0560846836997 0 5.224764535153943 0 100.0 Doubtful +8 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR tinyspectra.mgf Cmpd 67, +MSn(562.2947), 26.3 min -1.0 562.29468 2+ 2+ 1122.5669286837 0 7.00561302556395 0 100.0 Doubtful +9 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 207, +MSn(785.9179), 35.7 min -1.0 785.91791 2+ 2+ 1569.8362346836998 0 -9.522288910374096 0 100.0 Doubtful +10 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK tinyspectra.mgf Cmpd 1197, +MSn(759.6966), 115.6 min -1.0 759.69661 3+ 3+ 2276.0560846836997 0 5.228393373659577 0 100.0 Doubtful +11 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 875, +MSn(483.2538), 89.2 min -1.0 483.25374 3+ 3+ 1446.7354586837 0 2.7121200881231644 0 100.0 Doubtful +12 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR tinyspectra.mgf Cmpd 582, +MSn(590.6452), 63.2 min -1.0 590.64518 3+ 3+ 1768.9107986836998 0 1.6433558579610066 0 100.0 Doubtful +13 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 75, +MSn(641.8547), 26.7 min -1.0 641.85466 2+ 2+ 1281.6928656837001 0 1.4811651380377848 0 100.0 Doubtful +14 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 871, +MSn(724.3762), 88.9 min -1.0 724.37624 2+ 2+ 1446.7354586837 0 1.7038016610019715 0 100.0 Doubtful +15 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR tinyspectra.mgf Cmpd 220, +MSn(824.3852), 36.3 min -1.0 824.38516 3+ 3+ 2470.1263816837 0 2.9391347559636922 0 100.0 Doubtful +16 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 591, +MSn(509.9328), 63.7 min -1.0 509.93283 3+ 3+ 1526.7728996836997 0 2.458444778796749 0 100.0 Doubtful +17 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK tinyspectra.mgf Cmpd 736, +MSn(742.0258), 75.1 min -1.0 742.02585 3+ 3+ 2223.0583016837 0 -1.1594749443833878 0 100.0 Doubtful +18 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 72, +MSn(428.2391), 26.6 min -1.0 428.23909 3+ 3+ 1281.6928656837001 0 2.0042705774391996 0 100.0 Doubtful +19 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 588, +MSn(764.3961), 63.5 min -1.0 764.39611 2+ 2+ 1526.7728996836997 0 3.1184077735785474 0 100.0 Doubtful +20 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR tinyspectra.mgf Cmpd 758, +MSn(847.7508), 76.8 min -1.0 847.75082 3+ 3+ 2540.2241966836996 0 2.5298047449054923 0 100.0 Doubtful +21 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK tinyspectra.mgf Cmpd 357, +MSn(687.8723), 46.6 min -1.0 687.87224 2+ 2+ 1373.7336876837 0 -2.733506911277659 0 100.0 Doubtful +22 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK tinyspectra.mgf Cmpd 736, MSn(742.0258), 75.1 min -1.0 742.02585 3+ 3+ 2223.0583016837 0 -1.1594749443833878 0 100.0 Doubtful +23 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR tinyspectra.mgf Cmpd 636, MSn(730.3981), 66.9 min -1.0 730.39814 2+ 2+ 1458.7864506836997 0 -3.233580283650776 0 100.0 Doubtful +24 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 591, MSn(509.9328), 63.7 min -1.0 509.93283 3+ 3+ 1526.7728996836997 0 2.458444778796749 0 100.0 Doubtful +25 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR tinyspectra.mgf Cmpd 39, MSn(594.3056), 25.0 min -1.0 594.30561 2+ 2+ 1186.5942146837 0 2.0632379154490605 0 100.0 Doubtful +26 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR tinyspectra.mgf Cmpd 67, MSn(562.2947), 26.3 min -1.0 562.29468 2+ 2+ 1122.5669286837 0 7.00561302556395 0 100.0 Doubtful +27 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR tinyspectra.mgf Cmpd 752, MSn(697.6842), 76.3 min -1.0 697.68418 3+ 3+ 2090.0167716836995 0 6.659655420038472 0 100.0 Doubtful +28 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 207, MSn(785.9179), 35.7 min -1.0 785.91791 2+ 2+ 1569.8362346836998 0 -9.522288910374096 0 100.0 Doubtful +29 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 875, MSn(483.2538), 89.2 min -1.0 483.25374 3+ 3+ 1446.7354586837 0 2.7121200881231644 0 100.0 Doubtful +30 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 72, MSn(428.2391), 26.6 min -1.0 428.23909 3+ 3+ 1281.6928656837001 0 2.0042705774391996 0 100.0 Doubtful +31 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK tinyspectra.mgf Cmpd 81, MSn(610.3171), 27.0 min -1.0 610.31708 3+ 3+ 1827.9326546837003 0 -1.7717994436305495 0 100.0 Doubtful +32 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR tinyspectra.mgf Cmpd 758, MSn(847.7508), 76.8 min -1.0 847.75082 3+ 3+ 2540.2241966836996 0 2.5298047449054923 0 100.0 Doubtful +33 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 588, MSn(764.3961), 63.5 min -1.0 764.39611 2+ 2+ 1526.7728996836997 0 3.1184077735785474 0 100.0 Doubtful +34 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 871, MSn(724.3762), 88.9 min -1.0 724.37624 2+ 2+ 1446.7354586837 0 1.7038016610019715 0 100.0 Doubtful +35 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK tinyspectra.mgf Cmpd 1197, MSn(759.6966), 115.6 min -1.0 759.69661 3+ 3+ 2276.0560846836997 0 5.228393373659577 0 100.0 Doubtful +36 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 204, MSn(524.2825), 35.5 min -1.0 524.28252 3+ 3+ 1569.8362346836998 0 -6.678342042310128 0 100.0 Doubtful +37 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK tinyspectra.mgf Cmpd 748, MSn(789.0604), 76.1 min -1.0 789.06034 3+ 3+ 2364.1444886837 0 6.210765906697086 0 100.0 Doubtful +38 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR tinyspectra.mgf Cmpd 582, MSn(590.6452), 63.2 min -1.0 590.64518 3+ 3+ 1768.9107986836998 0 1.6433558579610066 0 100.0 Doubtful +39 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 75, MSn(641.8547), 26.7 min -1.0 641.85466 2+ 2+ 1281.6928656837001 0 1.4811651380377848 0 100.0 Doubtful +40 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR tinyspectra.mgf Cmpd 220, MSn(824.3852), 36.3 min -1.0 824.38516 3+ 3+ 2470.1263816837 0 2.9391347559636922 0 100.0 Doubtful +41 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK tinyspectra.mgf Cmpd 357, MSn(687.8723), 46.6 min -1.0 687.87224 2+ 2+ 1373.7336876837 0 -2.733506911277659 0 100.0 Doubtful diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_psm_result2.tabular --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/peptide_shaker_psm_result2.tabular Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,42 @@ + Protein(s) Sequence Variable Modifications Fixed Modifications Spectrum File Spectrum Title Spectrum Scan Number RT m/z Measured Charge Identification Charge Theoretical Mass Isotope Number Precursor m/z Error [ppm] Decoy Localization Confidence probabilistic PTM score D-score Confidence Validation +1 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR tinyspectra.mgf Cmpd 752, +MSn(697.6842), 76.3 min -1.0 697.68418 3+ 3+ 2090.0167716836995 0 6.659655420038472 0 100.0 Doubtful +2 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK tinyspectra.mgf Cmpd 748, +MSn(789.0604), 76.1 min -1.0 789.06034 3+ 3+ 2364.1444886837 0 6.210765906697086 0 100.0 Doubtful +3 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 204, +MSn(524.2825), 35.5 min -1.0 524.28252 3+ 3+ 1569.8362346836998 0 -6.678342042310128 0 100.0 Doubtful +4 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR tinyspectra.mgf Cmpd 39, +MSn(594.3056), 25.0 min -1.0 594.30561 2+ 2+ 1186.5942146837 0 2.0632379154490605 0 100.0 Doubtful +5 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK tinyspectra.mgf Cmpd 81, +MSn(610.3171), 27.0 min -1.0 610.31708 3+ 3+ 1827.9326546837003 0 -1.7717994436305495 0 100.0 Doubtful +6 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR tinyspectra.mgf Cmpd 636, +MSn(730.3981), 66.9 min -1.0 730.39814 2+ 2+ 1458.7864506836997 0 -3.233580283650776 0 100.0 Doubtful +7 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK tinyspectra.mgf Cmpd 1198, +MSn(1139.0413), 115.6 min -1.0 1139.04127 2+ 2+ 2276.0560846836997 0 5.224764535153943 0 100.0 Doubtful +8 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR tinyspectra.mgf Cmpd 67, +MSn(562.2947), 26.3 min -1.0 562.29468 2+ 2+ 1122.5669286837 0 7.00561302556395 0 100.0 Doubtful +9 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 207, +MSn(785.9179), 35.7 min -1.0 785.91791 2+ 2+ 1569.8362346836998 0 -9.522288910374096 0 100.0 Doubtful +10 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK tinyspectra.mgf Cmpd 1197, +MSn(759.6966), 115.6 min -1.0 759.69661 3+ 3+ 2276.0560846836997 0 5.228393373659577 0 100.0 Doubtful +11 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 875, +MSn(483.2538), 89.2 min -1.0 483.25374 3+ 3+ 1446.7354586837 0 2.7121200881231644 0 100.0 Doubtful +12 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR tinyspectra.mgf Cmpd 582, +MSn(590.6452), 63.2 min -1.0 590.64518 3+ 3+ 1768.9107986836998 0 1.6433558579610066 0 100.0 Doubtful +13 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 75, +MSn(641.8547), 26.7 min -1.0 641.85466 2+ 2+ 1281.6928656837001 0 1.4811651380377848 0 100.0 Doubtful +14 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 871, +MSn(724.3762), 88.9 min -1.0 724.37624 2+ 2+ 1446.7354586837 0 1.7038016610019715 0 100.0 Doubtful +15 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR tinyspectra.mgf Cmpd 220, +MSn(824.3852), 36.3 min -1.0 824.38516 3+ 3+ 2470.1263816837 0 2.9391347559636922 0 100.0 Doubtful +16 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 591, +MSn(509.9328), 63.7 min -1.0 509.93283 3+ 3+ 1526.7728996836997 0 2.458444778796749 0 100.0 Doubtful +17 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK tinyspectra.mgf Cmpd 736, +MSn(742.0258), 75.1 min -1.0 742.02585 3+ 3+ 2223.0583016837 0 -1.1594749443833878 0 100.0 Doubtful +18 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 72, +MSn(428.2391), 26.6 min -1.0 428.23909 3+ 3+ 1281.6928656837001 0 2.0042705774391996 0 100.0 Doubtful +19 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 588, +MSn(764.3961), 63.5 min -1.0 764.39611 2+ 2+ 1526.7728996836997 0 3.1184077735785474 0 100.0 Doubtful +20 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR tinyspectra.mgf Cmpd 758, +MSn(847.7508), 76.8 min -1.0 847.75082 3+ 3+ 2540.2241966836996 0 2.5298047449054923 0 100.0 Doubtful +21 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK tinyspectra.mgf Cmpd 357, +MSn(687.8723), 46.6 min -1.0 687.87224 2+ 2+ 1373.7336876837 0 -2.733506911277659 0 100.0 Doubtful +22 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 EFDVEPLKEAYQAEIDEAK tinyspectra.mgf Cmpd 736, MSn(742.0258), 75.1 min -1.0 742.02585 3+ 3+ 2223.0583016837 0 -1.1594749443833878 0 100.0 Doubtful +23 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 MEIITITNQLQR tinyspectra.mgf Cmpd 636, MSn(730.3981), 66.9 min -1.0 730.39814 2+ 2+ 1458.7864506836997 0 -3.233580283650776 0 100.0 Doubtful +24 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 591, MSn(509.9328), 63.7 min -1.0 509.93283 3+ 3+ 1526.7728996836997 0 2.458444778796749 0 100.0 Doubtful +25 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SLQAENEQLR tinyspectra.mgf Cmpd 39, MSn(594.3056), 25.0 min -1.0 594.30561 2+ 2+ 1186.5942146837 0 2.0632379154490605 0 100.0 Doubtful +26 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 YESQLSQIR tinyspectra.mgf Cmpd 67, MSn(562.2947), 26.3 min -1.0 562.29468 2+ 2+ 1122.5669286837 0 7.00561302556395 0 100.0 Doubtful +27 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISITTYEEEIEDLHATAR tinyspectra.mgf Cmpd 752, MSn(697.6842), 76.3 min -1.0 697.68418 3+ 3+ 2090.0167716836995 0 6.659655420038472 0 100.0 Doubtful +28 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 207, MSn(785.9179), 35.7 min -1.0 785.91791 2+ 2+ 1569.8362346836998 0 -9.522288910374096 0 100.0 Doubtful +29 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 875, MSn(483.2538), 89.2 min -1.0 483.25374 3+ 3+ 1446.7354586837 0 2.7121200881231644 0 100.0 Doubtful +30 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 72, MSn(428.2391), 26.6 min -1.0 428.23909 3+ 3+ 1281.6928656837001 0 2.0042705774391996 0 100.0 Doubtful +31 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 INEDRIDELQDKVNK tinyspectra.mgf Cmpd 81, MSn(610.3171), 27.0 min -1.0 610.31708 3+ 3+ 1827.9326546837003 0 -1.7717994436305495 0 100.0 Doubtful +32 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 SVISIGEVESEGQYVTLENTSSGR tinyspectra.mgf Cmpd 758, MSn(847.7508), 76.8 min -1.0 847.75082 3+ 3+ 2540.2241966836996 0 2.5298047449054923 0 100.0 Doubtful +33 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ISTGYITENIGGFR tinyspectra.mgf Cmpd 588, MSn(764.3961), 63.5 min -1.0 764.39611 2+ 2+ 1526.7728996836997 0 3.1184077735785474 0 100.0 Doubtful +34 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 VGNLEEELEFLR tinyspectra.mgf Cmpd 871, MSn(724.3762), 88.9 min -1.0 724.37624 2+ 2+ 1446.7354586837 0 1.7038016610019715 0 100.0 Doubtful +35 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 LHVEMESMIEELQMLMDAK tinyspectra.mgf Cmpd 1197, MSn(759.6966), 115.6 min -1.0 759.69661 3+ 3+ 2276.0560846836997 0 5.228393373659577 0 100.0 Doubtful +36 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 NLLLDANKENGELK tinyspectra.mgf Cmpd 204, MSn(524.2825), 35.5 min -1.0 524.28252 3+ 3+ 1569.8362346836998 0 -6.678342042310128 0 100.0 Doubtful +37 cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91, cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 EIRDEYDNQLNLLSADLESK tinyspectra.mgf Cmpd 748, MSn(789.0604), 76.1 min -1.0 789.06034 3+ 3+ 2364.1444886837 0 6.210765906697086 0 100.0 Doubtful +38 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 KGDIIATVDEWGPVNR tinyspectra.mgf Cmpd 582, MSn(590.6452), 63.2 min -1.0 590.64518 3+ 3+ 1768.9107986836998 0 1.6433558579610066 0 100.0 Doubtful +39 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67, cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 LISATSISPEHK tinyspectra.mgf Cmpd 75, MSn(641.8547), 26.7 min -1.0 641.85466 2+ 2+ 1281.6928656837001 0 1.4811651380377848 0 100.0 Doubtful +40 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 SHVVGAGLGGGSMGSMNQSMSLHGGR tinyspectra.mgf Cmpd 220, MSn(824.3852), 36.3 min -1.0 824.38516 3+ 3+ 2470.1263816837 0 2.9391347559636922 0 100.0 Doubtful +41 cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67, cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 ASLGMAAGVAGGIATK tinyspectra.mgf Cmpd 357, MSn(687.8723), 46.6 min -1.0 687.87224 2+ 2+ 1373.7336876837 0 -2.733506911277659 0 100.0 Doubtful diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_result1.cps Binary file test-data/peptide_shaker_result1.cps has changed diff -r 7e61179c5952 -r 2cafc729b2ae test-data/peptide_shaker_result1.zip Binary file test-data/peptide_shaker_result1.zip has changed diff -r 7e61179c5952 -r 2cafc729b2ae test-data/searchgui_tinydb1.fasta --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/searchgui_tinydb1.fasta Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,24 @@ +>cds.comp107265_c0_seq1|m.36816 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.94 EValue:9.0e-68 +LKSSFESSFSIKSRDVTFGNSMNITMVPPELEFFKDNRHKEKSEMQDLNTRLESYLSVGKDDSDANLKLMQELEEIKNGIKTETNNIKATFEAELGQLKNLLDDIDHDKNQVIVIGDNNDEMYKDLEQRIKNYNDMEMIHLSKIRQLDNLLSNYGLKMNQLQKKIGFLCEEKDRDIESINKLRADIDVAKNDLSNEILLRTDAQNRCQSLEEDIEFTKEVHQRELSNMIALADYDPVSQSMDWWNDEFARCIKEIQDEYEDRLNNIQYDMDSHYNSKIQDVETTILQSSAKSEMLDQCSMLENSNAEIEDQTSELEKKNAMLKEQNDLLNRGIREIQSQFETLITEKQSEMLEIRKHFEQSLADLQAIVDDNLSLQMEIMSYKKLLECEELRVGIYPESNANENQGDQGQRQNEQITEPITETIPKRKKPERKISYQRSSKGPLTISECKSDGSYILIENMDQYDGQNLGGWRLVQNVDGMEEYDYTFSRYYLGPGESVKIWAENAGPKGVNDLVWDDLKCLGIGEKVITSLMNQKGKEKSSYTQKAIYKV +>cds.comp307584_c0_seq2|m.40556 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 39.47 EValue:1.0e-14 +DDNYDSLQYSFPKSDHQRKTTYQRSAKGPITITRVQPDGSYIEIENTNIAVNEDISGWKMVQCTDDKIYEYIFDDHVLNGGTCVKIWANGLSGKEENDLVWIDRTCLTTGSVVTTTLMDYNGNEKATFTQ +>cds.comp376950_c0_seq1|m.42080 RecName: Full=60 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 41.38 EValue:1.0e-32 +KELEDINEDNLGRLRRQDEDVSNYEAQNASLRRKCDNLQADKDRDRNNVEKLKGEVTSLRNDLMMETVSRIDSQNKCQTLREELEFLKDIHSQELKELSPTLGKDPFAKSKEWWSSEFSNCIREIQEEYDNRLDSIKTDMDNYYTLKVQEIQTGAAR +>cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67 +METTKERKEKSTVVTKRQSMGATAHVQPKFIQVNRRSHVVGAGLGGGSMGSMNQSMSLHGGRASLGMAAGVAGGIATKDMGTMKVKREGEKKDMQNLNDRFAGYIAKVRSLQAENEQLRLKLSKKRREFDVEPLKEAYQAEIDEAKNLLLDANKENGELKISITTYEEEIEDLHATARINEDRIDELQDKVNKLIDENSHREAECSMLHKKLDELEKQVAHWRAKYNEVNTQLQATRADLKDETQQRIFLQQKVGNLEEELEFLRSVTDAEIKEYKAMLSKEDDTGTNVSAAWNNEMSNCMKELREEYDQRLADISDEMSARYESQLSQIRQSAHAEPVAAVHTKSEKSTGMVSVQKDMRIKELESQLERMKMEIITITNQLQRSNEDLENEKDLRTTEVNKLHVEMESMIEELQMLMDAKLSLELEIAAYRKLLEGEENRISTGYITENIGGFRSEAGDNLANILEFGSGGGGGGGGGGSGSGSGSGLAGDSASTSTLTGRLTIQRSSKSVISIGEVESEGQYVTLENTSSGRSKTSVNMKGWKLDRLISATSISPEHKIDFLFKDPVVLEGEQSIKIWAKNYQKMAKKGDIIATVDEWGPVNRNSVFSLYDEKDALKANLSTKVVT +>cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 +METTKERKEKSTVVTKRQSMGATAHVQPKFIQVNRRSHVVGAGLGGGSMGSMNQSMSLHGGRASLGMAAGVAGGIATKDMGTMKVKREGEKKDMQNLNDRFAGYIAKVRSLQAENEQLRLKLSKKRREFDVEPLKEAYQAEIDEAKNLLLDANKENGELKISITTYEEEIEDLHATARINEDRIDELQDKVNKLIDENSHREAECSMLHKKLDELEKQVAHWRAKYNEVNTQLQATRADLKDETQQRIFLQQKVGNLEEELEFLRSVTDAEIKEYKAMLSKEDDTGTNVSAAWNNEMSNCMKELREEYDQRLADISDEMSARYESQLSQIRQSAHAEPVAAVHTKSEKSTGMVSVQKDMRIKELESQLERMKMEIITITNQLQRSNEDLENEKDLRTTEVNKLHVEMESMIEELQMLMDAKLSLELEIAAYRKLLEGEENRISTGYITENIGGFRSEAGDNLANILEFGSGGGGGGGGGGSGSGSGSGLAGDSGRLTIQRSSKSVISIGEVESEGQYVTLENTSSGRSKTSVNMKGWKLDRLISATSISPEHKIDFLFKDPVVLEGEQSIKIWAKNYQKMAKKGDIIATVDEWGPVNRNSVFSLYDEKDALKANLSTKVVT +>cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 +SGLAGDSDTMRASTSTLTGRLTIQRSSKSVISIGEVESEGQYVTLENTSSGRSKTSVNMKGWKLDRLISATSISPEHKIDFLFKDPVVLEGEQSIKIWAKNYQKMAKKGDIIATVDEWGPVNRNSVFSLYDEKDALKANLSTKVVT +>cds.comp41890_c0_seq1|m.9546 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 38.58 EValue:4.0e-20 +YQSPTPALVKGELQEHSTYRKNNKGPVAISETDRDGSFILLENTSNSHTVDLSGWKIMQNSDNIDISEYEIENLVLKPGGFAKVWANGMGDPNSGDLVWHNKSRLGVGAKVNTVLLNTRGDEKATYNLETTYNL +>cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91 +MEKQGVETRQTVTTSRQSVNYKPFTQSKNIVINRVSLSPGTAMSTMQRSRSSMSSGLGLGGHLQAGVLGNISHKGVASMKLKREGEKKELQDLNERLANFIEQARFLEAENKALRDALNKSKKDFDPEPLKQMYQIEINEAKKLLDDANNDNGNLKVRINTLEDELEDLRAQLRHSNDVNDQLQNNIDTLNDDIARRIADNEMLKRKVQELEKQLADWKAKYAHVDTQLQGLRIDLQEETCQRLAESTRAQALEEELNFLRSVTDAEIKEYKAMLMKEDNVPQMREYWNNELSKCMREIRDEYDNQLNLLSADLESKYQVQLNEIRLGATKGNAESAQASEENRRLRSQITDKDSHMMDLQSQIDKLKSQVHLLTSELDSTTAELDNEKTLRVSEVQKLNTELEGVIKELQLLMDAKLSLELEIAAYRKLLEVEENRLSIGSMTQMVGGYRGQTEDALANILERSGASFEASSSMGESGTTSITTGRVTMQRSSKGVISIAEVDNTGRYVTLDNTSTTRMKRLQNLKGWKIKREFIRTNSLQELSFEYIINRDTSLDAQQNIRVWAKNFEKDPEIKPDDIISSVADWGQVNRNSIITLYDENGVEKATLTIKVVF +>cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 +MEKQGVETRQTVTTSRQSVNYKPFTQSKNIVINRVSLSPGTAMSTMQRSRSSMSSGLGLGGHLQAGVLGNISHKGVASMKLKREGEKKELQDLNERLANFIEQARFLEAENKALRDALNKSKKDFDPEPLKQMYQIEINEAKKLLDDANNDNGNLKVRINTLEDELEDLRAQLRHSNDVNDQLQNNIDTLNDDIARRIADNEMLKRKVQELEKQLADWKAKYAHVDTQLQGLRIDLQEETCQRLAESTRAQALEEELNFLRSVTDAEIKEYKAMLMKEDNVPQMREYWNNELSKCMREIRDEYDNQLNLLSADLESKYQVQLNEIRLGATKGNAESAQASEENRRLRSQITDKDSHMMDLQSQIDKLKSQVHLLTSELDSTTAELDNEKTLRVSEVQKLNTELEGVIKELQLLMDAKLSLELEIAAYRKLLEVEENRLSIGSMTQMVGGYRGQTEDALANILERSGASFEASSSMGESGRVTMQRSSKGVISIAEVDNTGRYVTLDNTSTTRMKRLQNLKGWKIKREFIRTNSLQELSFEYIINRDTSLDAQQNIRVWAKNFEKDPEIKPDDIISSVADWGQVNRNSIITLYDENGVEKATLTIKVVF +>cds.comp55448_c0_seq1|m.24261 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 96.04 EValue:0.0 +MRRIKKKITLDVRVTELIDQLERQQKELEESRTYHQIDQEQIARQNQQLADLEGEISMLRRSIESLEKEKMRQSNILAKMNDELEKLRMDLNNETINHLDAENRRQTLEEELEFQKDVHAQELKELAALAYRDTTAENREFWRNELAQAIRDIQQEYDAKCDQMRGDIEAYYNLKVQEFRTGATKQNMEVTRNKEENTKLRSNMNEVRNRLADLEARNAQLERTNQDLLRDLEEKDRQNELESCQYKEEITKLRGEMESILKELQDLMDIKLSLELEIAAYRKLLEGEESRVGMKQIVEQVVGARPNEAEVLSSILTRSEGGYEATGDSQISMKMMRGELAAKTTYQRTSKGPVSIKEADSQGQFIALETKKEENITGWKIVRKVDDNMVYSYEIPNVVLKTGTVIKIWSKSHQAQARGDDIVSRENDTWGTGSNVVTILQNEKGEEKANYTQNTVYQ +>cds.comp55448_c0_seq1|m.24262 RecName: Full=60 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 91.49 EValue:5.0e-87 +MSGGFSYSAKIHPRTGYVSRTSQSPYRSSMGSNAAFTRSYEFNYGATAMPGAYANISSTGVNHVKANREREKQDMRDLNERFANYIEKVRFLEAQNKKLAGELEELKSKWGKETSAIKEMYETELEEARKLIDATNKEKNYLGRESN +>cds.comp8310_c0_seq2|m.1138 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 22.01 EValue:2.0e-16 +FKDTCIRDKTDMKGLNERLSEFIEVARYNAILAKKLEKTIKRFHSQEIPEDVERIYEATIKKLRKLLVVFENERDNERAKNLKLQTECAKLKESLEDLKAKEIENRDRLISKFKILEDLQSKAIRIEKNIEIVAEENVLKNNKIEKLKKHFENLKSKITSERRNRSTHKESYDEVKEDFGIFKELKNQQLSSVRFPKYKDSIKYLRKQWSNEFSKCIKELQNEYESRVSSVKEELESNYCTKTEEIQNYVLKSNYESDFLKNRNLVAEESMNMLKNKFKEAKKENVLLNHEKEELEIEFNKSKNEYDHLAEEKNNEILNFKEYAEKILIQLTEILEINNHLQFEIEYYKTVITSGETKIDFDFDGLDDECMTSINSELP diff -r 7e61179c5952 -r 2cafc729b2ae test-data/searchgui_tinyspectra1.mgf --- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/test-data/searchgui_tinyspectra1.mgf Sun May 31 09:05:57 2015 -0400 @@ -0,0 +1,6153 @@ +BEGIN IONS +TITLE= Cmpd 636, +MSn(730.3981), 66.9 min +PEPMASS=730.39814 92569 +CHARGE=2+ +156.06738 122 +175.10440 1049 +186.08322 120 +187.12501 241 +188.06515 494 1+ +193.09503 180 +197.12522 208 +199.17309 1374 1+ +204.08687 454 1+ +213.14347 128 +215.11998 747 1+ +227.17167 1524 1+ +229.12416 156 +233.09327 3574 1+ +236.99586 113 +243.14264 571 1+ +244.07481 236 +245.12901 240 +246.12647 275 +256.20038 432 1+ +258.12496 133 +260.19976 423 +261.09190 17853 1+ +270.16206 114 +274.12614 207 +283.15366 136 +284.18559 406 1+ +286.14626 237 +287.10013 105 +301.15759 131 +303.17924 2962 1+ +310.21264 944 1+ +315.13250 122 +316.16696 108 +326.16601 145 +328.21268 874 1+ +335.13393 406 1+ +338.20704 186 +339.16449 110 +342.17857 106 +344.13585 148 +346.17426 809 1+ +356.21762 685 1+ +358.15839 265 +359.26213 106 +362.14671 528 1+ +366.16564 103 +370.14930 136 +374.17893 18824 1+ +380.20460 141 +384.22488 193 +387.21562 161 +388.26191 188 +411.26204 166 +415.22868 119 +416.26432 2092 1+ +421.21633 119 +423.29102 378 1+ +425.19591 120 +429.24479 213 +430.23711 292 +431.20421 187 +436.18404 103 +436.75217 164 +437.24576 210 +439.24189 686 1+ +441.27348 282 +442.22757 266 +443.24151 187 +447.25851 136 +448.23776 110 +451.24187 133 +454.21183 186 +455.28038 426 1+ +457.22899 1666 1+ +459.26367 3533 1+ +470.24566 153 +471.25916 214 +472.22369 149 +475.22776 2402 1+ +476.74146 108 +478.76406 148 +479.26444 182 +481.79718 109 +482.23965 265 +484.28349 122 +485.26864 194 +487.26385 8530 1+ +487.76699 2322 2+ +492.79121 214 +493.27987 223 +496.25943 155 +498.26458 113 +499.26123 188 +500.25926 116 +502.31880 144 +503.29803 113 +505.25694 134 +507.23129 148 +509.26114 112 +512.29082 270 +516.25599 158 +517.20915 133 +517.28047 196 +518.26358 209 +519.25298 141 +524.32901 134 +525.28341 246 +525.73648 129 +526.28178 183 +527.27825 442 1+ +530.27675 144 +531.28549 121 +533.28116 104 +534.11078 105 +534.80853 658 2+ +536.27223 192 +537.26164 134 +538.59905 107 +539.27286 106 +540.27423 189 +541.25963 119 +542.30271 822 1+ +543.81900 3982 2+ +544.31230 3061 1+ +546.73644 112 +550.76990 117 +551.22357 107 +552.32208 662 1+ +555.31596 235 +556.27474 176 +558.29453 154 +559.29947 142 +560.30729 1143 1+ +567.24429 116 +569.25892 228 +570.29732 7469 1+ +575.31645 290 +580.32039 169 +584.32568 221 +585.29844 155 +588.30437 6069 1+ +591.34398 1900 2+ +593.19489 103 +594.32473 103 +598.30327 171 +600.36464 3642 2+ +602.30487 970 1+ +608.28169 160 +609.27493 133 +614.83731 112 +615.27771 193 +617.30438 138 +618.32896 149 +619.33485 160 +620.31542 115 +620.81406 230 +622.32210 208 +623.32017 135 +624.28638 129 +626.34792 207 +628.34041 189 +629.25299 114 +630.37407 171 +632.31114 124 +634.29651 120 +636.28359 105 +637.35608 222 +638.34750 245 +639.34410 173 +641.33612 839 1+ +646.33654 117 +647.19559 1433 1+ +649.19722 1100 1+ +651.31229 136 +653.31813 227 +654.33373 187 +655.38010 176 +656.35127 649 1+ +658.36493 6652 1+ +664.87410 264 +665.36702 578 1+ +668.36277 108 +669.88900 118 +671.36838 605 1+ +673.38354 533 1+ +674.31604 138 +680.33315 119 +682.86635 152 +683.37863 4557 1+ +689.35741 806 1+ +693.34598 140 +695.38537 116 +696.37550 112 +697.39934 146 +698.39359 132 +699.36352 115 +701.38282 1437 1+ +706.39934 164 +707.37693 151 +707.86433 178 +710.37380 213 +712.37982 250 +712.89070 251 +713.37280 260 +713.88658 123 +715.37058 153 +716.18442 4201 1+ +716.77672 108 +718.18321 2451 1+ +718.88287 2231 2+ +720.98962 121 +721.39031 3707 2+ +724.88574 175 +725.39311 174 +725.86419 119 +726.38179 168 +726.88029 279 +727.39635 1151 2+ +729.38218 580 +729.89636 3472 1+ +730.39870 7202 2+ +733.22310 218 +733.30736 209 +733.86699 2221 2+ +734.87807 2000 2+ +737.41263 157 +738.38323 548 1+ +741.39676 215 +742.38824 893 1+ +748.42865 106 +757.40883 110 +759.41390 16956 1+ +766.39835 135 +768.40610 123 +773.41497 135 +775.43074 138 +779.38031 110 +784.42558 899 1+ +787.90750 114 +788.43303 156 +802.43422 958 1+ +818.92372 110 +819.43952 106 +830.50628 147 +838.45103 121 +855.49252 207 +866.39951 113 +872.50085 6571 1+ +880.44367 148 +886.46997 133 +891.44688 208 +899.47954 151 +912.47926 133 +914.49331 112 +916.46838 134 +924.48363 139 +926.42073 111 +955.52131 165 +956.52827 785 1+ +973.55087 13950 1+ +978.51217 225 +979.51564 116 +980.49756 186 +1008.48933 103 +1044.54839 219 +1068.60979 255 1+ +1086.63071 4224 1+ +1187.60270 135 +1199.72200 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-LKSSFESSFSIKSRDVTFGNSMNITMVPPELEFFKDNRHKEKSEMQDLNTRLESYLSVGKDDSDANLKLMQELEEIKNGIKTETNNIKATFEAELGQLKNLLDDIDHDKNQVIVIGDNNDEMYKDLEQRIKNYNDMEMIHLSKIRQLDNLLSNYGLKMNQLQKKIGFLCEEKDRDIESINKLRADIDVAKNDLSNEILLRTDAQNRCQSLEEDIEFTKEVHQRELSNMIALADYDPVSQSMDWWNDEFARCIKEIQDEYEDRLNNIQYDMDSHYNSKIQDVETTILQSSAKSEMLDQCSMLENSNAEIEDQTSELEKKNAMLKEQNDLLNRGIREIQSQFETLITEKQSEMLEIRKHFEQSLADLQAIVDDNLSLQMEIMSYKKLLECEELRVGIYPESNANENQGDQGQRQNEQITEPITETIPKRKKPERKISYQRSSKGPLTISECKSDGSYILIENMDQYDGQNLGGWRLVQNVDGMEEYDYTFSRYYLGPGESVKIWAENAGPKGVNDLVWDDLKCLGIGEKVITSLMNQKGKEKSSYTQKAIYKV ->cds.comp307584_c0_seq2|m.40556 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 39.47 EValue:1.0e-14 -DDNYDSLQYSFPKSDHQRKTTYQRSAKGPITITRVQPDGSYIEIENTNIAVNEDISGWKMVQCTDDKIYEYIFDDHVLNGGTCVKIWANGLSGKEENDLVWIDRTCLTTGSVVTTTLMDYNGNEKATFTQ ->cds.comp376950_c0_seq1|m.42080 RecName: Full=60 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 41.38 EValue:1.0e-32 -KELEDINEDNLGRLRRQDEDVSNYEAQNASLRRKCDNLQADKDRDRNNVEKLKGEVTSLRNDLMMETVSRIDSQNKCQTLREELEFLKDIHSQELKELSPTLGKDPFAKSKEWWSSEFSNCIREIQEEYDNRLDSIKTDMDNYYTLKVQEIQTGAAR ->cds.comp41779_c0_seq1|m.9429 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.62 EValue:7.0e-67 -METTKERKEKSTVVTKRQSMGATAHVQPKFIQVNRRSHVVGAGLGGGSMGSMNQSMSLHGGRASLGMAAGVAGGIATKDMGTMKVKREGEKKDMQNLNDRFAGYIAKVRSLQAENEQLRLKLSKKRREFDVEPLKEAYQAEIDEAKNLLLDANKENGELKISITTYEEEIEDLHATARINEDRIDELQDKVNKLIDENSHREAECSMLHKKLDELEKQVAHWRAKYNEVNTQLQATRADLKDETQQRIFLQQKVGNLEEELEFLRSVTDAEIKEYKAMLSKEDDTGTNVSAAWNNEMSNCMKELREEYDQRLADISDEMSARYESQLSQIRQSAHAEPVAAVHTKSEKSTGMVSVQKDMRIKELESQLERMKMEIITITNQLQRSNEDLENEKDLRTTEVNKLHVEMESMIEELQMLMDAKLSLELEIAAYRKLLEGEENRISTGYITENIGGFRSEAGDNLANILEFGSGGGGGGGGGGSGSGSGSGLAGDSASTSTLTGRLTIQRSSKSVISIGEVESEGQYVTLENTSSGRSKTSVNMKGWKLDRLISATSISPEHKIDFLFKDPVVLEGEQSIKIWAKNYQKMAKKGDIIATVDEWGPVNRNSVFSLYDEKDALKANLSTKVVT ->cds.comp41779_c0_seq2|m.9432 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 30.75 EValue:3.0e-67 -METTKERKEKSTVVTKRQSMGATAHVQPKFIQVNRRSHVVGAGLGGGSMGSMNQSMSLHGGRASLGMAAGVAGGIATKDMGTMKVKREGEKKDMQNLNDRFAGYIAKVRSLQAENEQLRLKLSKKRREFDVEPLKEAYQAEIDEAKNLLLDANKENGELKISITTYEEEIEDLHATARINEDRIDELQDKVNKLIDENSHREAECSMLHKKLDELEKQVAHWRAKYNEVNTQLQATRADLKDETQQRIFLQQKVGNLEEELEFLRSVTDAEIKEYKAMLSKEDDTGTNVSAAWNNEMSNCMKELREEYDQRLADISDEMSARYESQLSQIRQSAHAEPVAAVHTKSEKSTGMVSVQKDMRIKELESQLERMKMEIITITNQLQRSNEDLENEKDLRTTEVNKLHVEMESMIEELQMLMDAKLSLELEIAAYRKLLEGEENRISTGYITENIGGFRSEAGDNLANILEFGSGGGGGGGGGGSGSGSGSGLAGDSGRLTIQRSSKSVISIGEVESEGQYVTLENTSSGRSKTSVNMKGWKLDRLISATSISPEHKIDFLFKDPVVLEGEQSIKIWAKNYQKMAKKGDIIATVDEWGPVNRNSVFSLYDEKDALKANLSTKVVT ->cds.comp41779_c0_seq3|m.9435 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 31.94 EValue:4.0e-10 -SGLAGDSDTMRASTSTLTGRLTIQRSSKSVISIGEVESEGQYVTLENTSSGRSKTSVNMKGWKLDRLISATSISPEHKIDFLFKDPVVLEGEQSIKIWAKNYQKMAKKGDIIATVDEWGPVNRNSVFSLYDEKDALKANLSTKVVT ->cds.comp41890_c0_seq1|m.9546 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 38.58 EValue:4.0e-20 -YQSPTPALVKGELQEHSTYRKNNKGPVAISETDRDGSFILLENTSNSHTVDLSGWKIMQNSDNIDISEYEIENLVLKPGGFAKVWANGMGDPNSGDLVWHNKSRLGVGAKVNTVLLNTRGDEKATYNLETTYNL ->cds.comp52727_c0_seq1|m.18670 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 34.52 EValue:1.0e-91 -MEKQGVETRQTVTTSRQSVNYKPFTQSKNIVINRVSLSPGTAMSTMQRSRSSMSSGLGLGGHLQAGVLGNISHKGVASMKLKREGEKKELQDLNERLANFIEQARFLEAENKALRDALNKSKKDFDPEPLKQMYQIEINEAKKLLDDANNDNGNLKVRINTLEDELEDLRAQLRHSNDVNDQLQNNIDTLNDDIARRIADNEMLKRKVQELEKQLADWKAKYAHVDTQLQGLRIDLQEETCQRLAESTRAQALEEELNFLRSVTDAEIKEYKAMLMKEDNVPQMREYWNNELSKCMREIRDEYDNQLNLLSADLESKYQVQLNEIRLGATKGNAESAQASEENRRLRSQITDKDSHMMDLQSQIDKLKSQVHLLTSELDSTTAELDNEKTLRVSEVQKLNTELEGVIKELQLLMDAKLSLELEIAAYRKLLEVEENRLSIGSMTQMVGGYRGQTEDALANILERSGASFEASSSMGESGTTSITTGRVTMQRSSKGVISIAEVDNTGRYVTLDNTSTTRMKRLQNLKGWKIKREFIRTNSLQELSFEYIINRDTSLDAQQNIRVWAKNFEKDPEIKPDDIISSVADWGQVNRNSIITLYDENGVEKATLTIKVVF ->cds.comp52727_c0_seq2|m.18672 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 35.0 EValue:3.0e-92 -MEKQGVETRQTVTTSRQSVNYKPFTQSKNIVINRVSLSPGTAMSTMQRSRSSMSSGLGLGGHLQAGVLGNISHKGVASMKLKREGEKKELQDLNERLANFIEQARFLEAENKALRDALNKSKKDFDPEPLKQMYQIEINEAKKLLDDANNDNGNLKVRINTLEDELEDLRAQLRHSNDVNDQLQNNIDTLNDDIARRIADNEMLKRKVQELEKQLADWKAKYAHVDTQLQGLRIDLQEETCQRLAESTRAQALEEELNFLRSVTDAEIKEYKAMLMKEDNVPQMREYWNNELSKCMREIRDEYDNQLNLLSADLESKYQVQLNEIRLGATKGNAESAQASEENRRLRSQITDKDSHMMDLQSQIDKLKSQVHLLTSELDSTTAELDNEKTLRVSEVQKLNTELEGVIKELQLLMDAKLSLELEIAAYRKLLEVEENRLSIGSMTQMVGGYRGQTEDALANILERSGASFEASSSMGESGRVTMQRSSKGVISIAEVDNTGRYVTLDNTSTTRMKRLQNLKGWKIKREFIRTNSLQELSFEYIINRDTSLDAQQNIRVWAKNFEKDPEIKPDDIISSVADWGQVNRNSIITLYDENGVEKATLTIKVVF ->cds.comp55448_c0_seq1|m.24261 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 96.04 EValue:0.0 -MRRIKKKITLDVRVTELIDQLERQQKELEESRTYHQIDQEQIARQNQQLADLEGEISMLRRSIESLEKEKMRQSNILAKMNDELEKLRMDLNNETINHLDAENRRQTLEEELEFQKDVHAQELKELAALAYRDTTAENREFWRNELAQAIRDIQQEYDAKCDQMRGDIEAYYNLKVQEFRTGATKQNMEVTRNKEENTKLRSNMNEVRNRLADLEARNAQLERTNQDLLRDLEEKDRQNELESCQYKEEITKLRGEMESILKELQDLMDIKLSLELEIAAYRKLLEGEESRVGMKQIVEQVVGARPNEAEVLSSILTRSEGGYEATGDSQISMKMMRGELAAKTTYQRTSKGPVSIKEADSQGQFIALETKKEENITGWKIVRKVDDNMVYSYEIPNVVLKTGTVIKIWSKSHQAQARGDDIVSRENDTWGTGSNVVTILQNEKGEEKANYTQNTVYQ ->cds.comp55448_c0_seq1|m.24262 RecName: Full=60 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 91.49 EValue:5.0e-87 -MSGGFSYSAKIHPRTGYVSRTSQSPYRSSMGSNAAFTRSYEFNYGATAMPGAYANISSTGVNHVKANREREKQDMRDLNERFANYIEKVRFLEAQNKKLAGELEELKSKWGKETSAIKEMYETELEEARKLIDATNKEKNYLGRESN ->cds.comp8310_c0_seq2|m.1138 RecName: Full=70 kDa neurofilament protein; 1051067 GO:0005882 GO:0005198 Identity: 22.01 EValue:2.0e-16 -FKDTCIRDKTDMKGLNERLSEFIEVARYNAILAKKLEKTIKRFHSQEIPEDVERIYEATIKKLRKLLVVFENERDNERAKNLKLQTECAKLKESLEDLKAKEIENRDRLISKFKILEDLQSKAIRIEKNIEIVAEENVLKNNKIEKLKKHFENLKSKITSERRNRSTHKESYDEVKEDFGIFKELKNQQLSSVRFPKYKDSIKYLRKQWSNEFSKCIKELQNEYESRVSSVKEELESNYCTKTEEIQNYVLKSNYESDFLKNRNLVAEESMNMLKNKFKEAKKENVLLNHEKEELEIEFNKSKNEYDHLAEEKNNEILNFKEYAEKILIQLTEILEINNHLQFEIEYYKTVITSGETKIDFDFDGLDDECMTSINSELP diff -r 7e61179c5952 -r 2cafc729b2ae test-data/tinyoutput.cps Binary file test-data/tinyoutput.cps has changed diff -r 7e61179c5952 -r 2cafc729b2ae test-data/tinyspectra.mgf --- a/test-data/tinyspectra.mgf Wed Jun 25 11:50:38 2014 -0400 +++ /dev/null Thu Jan 01 00:00:00 1970 +0000 @@ -1,6153 +0,0 @@ -BEGIN IONS -TITLE= Cmpd 636, +MSn(730.3981), 66.9 min -PEPMASS=730.39814 92569 -CHARGE=2+ -156.06738 122 -175.10440 1049 -186.08322 120 -187.12501 241 -188.06515 494 1+ -193.09503 180 -197.12522 208 -199.17309 1374 1+ -204.08687 454 1+ -213.14347 128 -215.11998 747 1+ -227.17167 1524 1+ -229.12416 156 -233.09327 3574 1+ -236.99586 113 -243.14264 571 1+ -244.07481 236 -245.12901 240 -246.12647 275 -256.20038 432 1+ -258.12496 133 -260.19976 423 -261.09190 17853 1+ -270.16206 114 -274.12614 207 -283.15366 136 -284.18559 406 1+ -286.14626 237 -287.10013 105 -301.15759 131 -303.17924 2962 1+ -310.21264 944 1+ -315.13250 122 -316.16696 108 -326.16601 145 -328.21268 874 1+ -335.13393 406 1+ -338.20704 186 -339.16449 110 -342.17857 106 -344.13585 148 -346.17426 809 1+ -356.21762 685 1+ -358.15839 265 -359.26213 106 -362.14671 528 1+ -366.16564 103 -370.14930 136 -374.17893 18824 1+ -380.20460 141 -384.22488 193 -387.21562 161 -388.26191 188 -411.26204 166 -415.22868 119 -416.26432 2092 1+ -421.21633 119 -423.29102 378 1+ -425.19591 120 -429.24479 213 -430.23711 292 -431.20421 187 -436.18404 103 -436.75217 164 -437.24576 210 -439.24189 686 1+ -441.27348 282 -442.22757 266 -443.24151 187 -447.25851 136 -448.23776 110 -451.24187 133 -454.21183 186 -455.28038 426 1+ -457.22899 1666 1+ -459.26367 3533 1+ -470.24566 153 -471.25916 214 -472.22369 149 -475.22776 2402 1+ -476.74146 108 -478.76406 148 -479.26444 182 -481.79718 109 -482.23965 265 -484.28349 122 -485.26864 194 -487.26385 8530 1+ -487.76699 2322 2+ -492.79121 214 -493.27987 223 -496.25943 155 -498.26458 113 -499.26123 188 -500.25926 116 -502.31880 144 -503.29803 113 -505.25694 134 -507.23129 148 -509.26114 112 -512.29082 270 -516.25599 158 -517.20915 133 -517.28047 196 -518.26358 209 -519.25298 141 -524.32901 134 -525.28341 246 -525.73648 129 -526.28178 183 -527.27825 442 1+ -530.27675 144 -531.28549 121 -533.28116 104 -534.11078 105 -534.80853 658 2+ -536.27223 192 -537.26164 134 -538.59905 107 -539.27286 106 -540.27423 189 -541.25963 119 -542.30271 822 1+ -543.81900 3982 2+ -544.31230 3061 1+ -546.73644 112 -550.76990 117 -551.22357 107 -552.32208 662 1+ -555.31596 235 -556.27474 176 -558.29453 154 -559.29947 142 -560.30729 1143 1+ -567.24429 116 -569.25892 228 -570.29732 7469 1+ -575.31645 290 -580.32039 169 -584.32568 221 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-712.89070 251 -713.37280 260 -713.88658 123 -715.37058 153 -716.18442 4201 1+ -716.77672 108 -718.18321 2451 1+ -718.88287 2231 2+ -720.98962 121 -721.39031 3707 2+ -724.88574 175 -725.39311 174 -725.86419 119 -726.38179 168 -726.88029 279 -727.39635 1151 2+ -729.38218 580 -729.89636 3472 1+ -730.39870 7202 2+ -733.22310 218 -733.30736 209 -733.86699 2221 2+ -734.87807 2000 2+ -737.41263 157 -738.38323 548 1+ -741.39676 215 -742.38824 893 1+ -748.42865 106 -757.40883 110 -759.41390 16956 1+ -766.39835 135 -768.40610 123 -773.41497 135 -775.43074 138 -779.38031 110 -784.42558 899 1+ -787.90750 114 -788.43303 156 -802.43422 958 1+ -818.92372 110 -819.43952 106 -830.50628 147 -838.45103 121 -855.49252 207 -866.39951 113 -872.50085 6571 1+ -880.44367 148 -886.46997 133 -891.44688 208 -899.47954 151 -912.47926 133 -914.49331 112 -916.46838 134 -924.48363 139 -926.42073 111 -955.52131 165 -956.52827 785 1+ -973.55087 13950 1+ -978.51217 225 -979.51564 116 -980.49756 186 -1008.48933 103 -1044.54839 219 -1068.60979 255 1+ -1086.63071 4224 1+ -1187.60270 135 -1199.72200 1064 1+ -END IONS - -BEGIN IONS -TITLE= Cmpd 67, +MSn(562.2947), 26.3 min -PEPMASS=562.29468 458049 -CHARGE=2+ -173.10446 888 -175.10614 7500 1+ -179.03885 2115 1+ -181.05013 1444 -185.10363 748 -188.09581 546 -189.08230 1123 -191.10888 1205 -193.08988 20362 1+ -197.12012 1004 -198.08421 1715 -199.08156 3683 1+ -201.11270 1482 -202.08307 5961 1+ -204.12828 1144 -207.10914 5879 1+ -212.09747 547 -214.14801 786 -215.13458 1085 -216.09374 15154 1+ -219.10360 3767 1+ -221.09583 10438 1+ -225.12049 686 -227.09977 1455 -229.09603 679 -230.09470 604 -234.13140 812 -235.10913 3141 1+ -240.12624 583 -242.14853 1597 -243.13141 1136 -243.63267 1229 2+ -246.14582 824 -247.10615 2963 1+ -249.12485 2272 1+ -251.09894 784 -258.11066 836 -260.12524 538 -262.12141 584 -263.11268 636 -265.12053 103781 1+ -271.17377 1450 -272.15453 573 -274.12336 539 -275.11834 708 -276.09317 1249 -277.14342 854 -280.13885 636 -284.15463 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97816 1+ -506.77634 937 -508.21508 7010 1+ -510.25588 4848 1+ -513.25831 729 -514.27402 607 -515.27095 609 -516.28189 537 -517.25442 1057 -518.25007 538 -519.24078 613 -520.24934 791 -521.25847 869 -522.26590 547 -525.25538 703 -526.26034 1210 -527.29422 8151 1+ -533.26970 1046 -534.26291 800 -535.27080 1196 -535.77587 1190 -536.26276 1367 -536.76878 648 -537.25293 646 -538.25073 1260 -539.28017 612 -539.77084 658 -540.26114 696 -541.27313 648 -543.27369 589 -544.28397 3621 -544.77706 12851 2+ -547.31924 1572 -548.30436 1053 -548.77028 1441 -549.26783 974 -551.27120 606 -553.28974 18838 2+ -556.24380 1017 -557.27702 1007 -557.77103 8323 2+ -559.28097 1288 -559.78464 926 -560.29805 5478 1+ -561.29757 15114 1+ -561.81158 1177 -562.29457 15730 2+ -564.83168 892 -565.33570 23486 1+ -565.82267 7693 2+ -569.28499 554 -573.26338 1027 -575.36935 2237 1+ -577.29711 19918 1+ -585.28764 707 -586.26526 885 -593.29456 4026 1+ -597.28990 684 -598.35983 1347 -599.34599 3235 1+ -603.27890 4807 1+ 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