Mercurial > repos > galaxyp > idconvert
comparison test-data/Rpal_01.pepXML @ 0:4f7d6bec667f draft
planemo upload for repository https://github.com/galaxyproteomics/tools-galaxyp/tree/master/tools/msconvert commit 4fa5bf9c62e4bba06c4d6e7de962c85959b61579-dirty
author | galaxyp |
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date | Fri, 08 Apr 2016 16:07:32 -0400 |
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1 <?xml version="1.0" encoding="ISO-8859-1"?> | |
2 <msms_pipeline_analysis date="2011-10-31T11:08:11" summary_xml="Rpal_01.pepXML" xmlns="http://regis-web.systemsbiology.net/pepXML" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://sashimi.sourceforge.net/schema_revision/pepXML/pepXML_v117.xsd"> | |
3 <analysis_summary analysis="MyriMatch" version="2.1.101" time="2011-10-31T11:08:11"/> | |
4 <msms_run_summary base_name="Rpal_01" raw_data_type="" raw_data=""> | |
5 <sample_enzyme name="Trypsin/P" independent="false" fidelity="specific"> | |
6 <specificity sense="C" cut="KR" no_cut="" min_spacing="1"/> | |
7 </sample_enzyme> | |
8 <search_summary base_name="Rpal_01" search_engine="MyriMatch" precursor_mass_type="monoisotopic" fragment_mass_type="monoisotopic" out_data_type="" out_data=""> | |
9 <search_database local_path="Mark12-Rpal-20050929-reverse.fasta" database_name="SDB" type="AA"/> | |
10 <enzymatic_search_constraint enzyme="Trypsin/P" max_num_internal_cleavages="100000" min_number_termini="2"/> | |
11 <parameter name="Config: AvgPrecursorMzTolerance" value="1.5mz"/> | |
12 <parameter name="Config: ClassSizeMultiplier" value="2"/> | |
13 <parameter name="Config: CleavageRules" value="trypsin/p"/> | |
14 <parameter name="Config: ComputeXCorr" value="1"/> | |
15 <parameter name="Config: DecoyPrefix" value="rev_"/> | |
16 <parameter name="Config: DynamicMods" value=""/> | |
17 <parameter name="Config: EstimateSearchTimeOnly" value="0"/> | |
18 <parameter name="Config: FragmentMzTolerance" value="30ppm"/> | |
19 <parameter name="Config: FragmentationAutoRule" value="1"/> | |
20 <parameter name="Config: FragmentationRule" value="cid"/> | |
21 <parameter name="Config: MaxDynamicMods" value="2"/> | |
22 <parameter name="Config: MaxFragmentChargeState" value="0"/> | |
23 <parameter name="Config: MaxMissedCleavages" value="100000"/> | |
24 <parameter name="Config: MaxPeakCount" value="300"/> | |
25 <parameter name="Config: MaxPeptideLength" value="75"/> | |
26 <parameter name="Config: MaxPeptideMass" value="10000"/> | |
27 <parameter name="Config: MaxPeptideVariants" value="1000000"/> | |
28 <parameter name="Config: MaxResultRank" value="2"/> | |
29 <parameter name="Config: MinPeptideLength" value="5"/> | |
30 <parameter name="Config: MinPeptideMass" value="0"/> | |
31 <parameter name="Config: MinResultScore" value="9.9999999999999995e-008"/> | |
32 <parameter name="Config: MinTerminiCleavages" value="2"/> | |
33 <parameter name="Config: MonoPrecursorMzTolerance" value="10ppm"/> | |
34 <parameter name="Config: MonoisotopeAdjustmentSet" value="[-1,2] "/> | |
35 <parameter name="Config: NumBatches" value="50"/> | |
36 <parameter name="Config: NumChargeStates" value="3"/> | |
37 <parameter name="Config: NumIntensityClasses" value="3"/> | |
38 <parameter name="Config: NumMzFidelityClasses" value="3"/> | |
39 <parameter name="Config: OutputFormat" value="pepXML"/> | |
40 <parameter name="Config: OutputSuffix" value=""/> | |
41 <parameter name="Config: PrecursorMzToleranceRule" value="auto"/> | |
42 <parameter name="Config: PreferIntenseComplements" value="1"/> | |
43 <parameter name="Config: ProteinDatabase" value="Mark12-Rpal-20050929-reverse.fasta"/> | |
44 <parameter name="Config: ProteinListFilters" value=""/> | |
45 <parameter name="Config: ProteinSamplingTime" value="15"/> | |
46 <parameter name="Config: ResultsPerBatch" value="200000"/> | |
47 <parameter name="Config: SpectrumListFilters" value="peakPicking true 2-"/> | |
48 <parameter name="Config: StaticMods" value=""/> | |
49 <parameter name="Config: StatusUpdateFrequency" value="5"/> | |
50 <parameter name="Config: TicCutoffPercentage" value="0.97999999999999998"/> | |
51 <parameter name="Config: UseMultipleProcessors" value="1"/> | |
52 <parameter name="Config: UseSmartPlusThreeModel" value="1"/> | |
53 <parameter name="Config: WorkingDirectory" value="C:\test\rpal-orbi-orbi\raw"/> | |
54 <parameter name="PeakCounts: 1stQuartile: Filtered" value="94"/> | |
55 <parameter name="PeakCounts: 1stQuartile: Original" value="109"/> | |
56 <parameter name="PeakCounts: 2ndQuartile: Filtered" value="130"/> | |
57 <parameter name="PeakCounts: 2ndQuartile: Original" value="148"/> | |
58 <parameter name="PeakCounts: 3rdQuartile: Filtered" value="162"/> | |
59 <parameter name="PeakCounts: 3rdQuartile: Original" value="182"/> | |
60 <parameter name="PeakCounts: Mean: Filtered" value="127"/> | |
61 <parameter name="PeakCounts: Mean: Original" value="143"/> | |
62 <parameter name="PeakCounts: Min/Max: Filtered" value="9 / 299"/> | |
63 <parameter name="PeakCounts: Min/Max: Original" value="9 / 365"/> | |
64 <parameter name="SearchEngine: Name" value="MyriMatch"/> | |
65 <parameter name="SearchEngine: Version" value="2.1.101"/> | |
66 <parameter name="SearchStats: Nodes" value="1"/> | |
67 <parameter name="SearchStats: Overall" value="9696 proteins; 2367559 peptides; 1463799 variants; 1624470 comparisons"/> | |
68 <parameter name="SearchTime: Duration" value="18.9302578 seconds"/> | |
69 <parameter name="SearchTime: Started" value="11:07:52 on 10/31/2011"/> | |
70 <parameter name="SearchTime: Stopped" value="11:08:11 on 10/31/2011"/> | |
71 </search_summary> | |
72 <spectrum_query spectrum="Rpal_01.4.4.2" spectrumNativeID="controllerType=0 controllerNumber=1 scan=4" start_scan="4" end_scan="4" precursor_neutral_mass="971.24544706624" assumed_charge="2" index="2"> | |
73 <search_result num_target_comparisons="2774" num_decoy_comparisons="2735"> | |
74 <search_hit hit_rank="1" peptide="VMKNVIDR" peptide_prev_aa="R" peptide_next_aa="G" protein="rev_RPA0498" num_tot_proteins="1" calc_neutral_pep_mass="974.1791" massdiff="2.93365293376" num_tol_term="2" num_missed_cleavages="1" num_matched_ions="1" tot_num_ions="14"> | |
75 <search_score name="number of matched peaks" value="1"/> | |
76 <search_score name="number of unmatched peaks" value="13"/> | |
77 <search_score name="mvh" value="5.705950021744"/> | |
78 <search_score name="mzFidelity" value="7.087171850592"/> | |
79 <search_score name="xcorr" value="0.12372587929479778"/> | |
80 </search_hit> | |
81 <search_hit hit_rank="2" peptide="RTTPLDLR" peptide_prev_aa="R" peptide_next_aa="R" protein="RPA1332" num_tot_proteins="1" calc_neutral_pep_mass="971.11226" massdiff="-0.13318706624" num_tol_term="2" num_missed_cleavages="1" num_matched_ions="1" tot_num_ions="15"> | |
82 <search_score name="number of matched peaks" value="1"/> | |
83 <search_score name="number of unmatched peaks" value="14"/> | |
84 <search_score name="mvh" value="5.637738227844"/> | |
85 <search_score name="mzFidelity" value="6.950056555619"/> | |
86 <search_score name="xcorr" value="0.16826496059233614"/> | |
87 </search_hit> | |
88 <search_hit hit_rank="2" peptide="MYDFGSPR" peptide_prev_aa="K" peptide_next_aa="G" protein="rev_RPA3341" num_tot_proteins="1" calc_neutral_pep_mass="972.07534" massdiff="0.82989293376" num_tol_term="2" num_missed_cleavages="0" num_matched_ions="1" tot_num_ions="15"> | |
89 <search_score name="number of matched peaks" value="1"/> | |
90 <search_score name="number of unmatched peaks" value="14"/> | |
91 <search_score name="mvh" value="5.637738227844"/> | |
92 <search_score name="mzFidelity" value="6.950056555619"/> | |
93 <search_score name="xcorr" value="0.24158960944600402"/> | |
94 </search_hit> | |
95 </search_result> | |
96 </spectrum_query> | |
97 <spectrum_query spectrum="Rpal_01.4.4.3" spectrumNativeID="controllerType=0 controllerNumber=1 scan=4" start_scan="4" end_scan="4" precursor_neutral_mass="1456.86817059936" assumed_charge="3" index="3"> | |
98 <search_result num_target_comparisons="2774" num_decoy_comparisons="2735"> | |
99 <search_hit hit_rank="1" peptide="AAAEGERVLGFALR" peptide_prev_aa="R" peptide_next_aa="S" protein="RPA1259" num_tot_proteins="1" calc_neutral_pep_mass="1459.64904" massdiff="2.78086940064" num_tol_term="2" num_missed_cleavages="1" num_matched_ions="2" tot_num_ions="27"> | |
100 <search_score name="number of matched peaks" value="2"/> | |
101 <search_score name="number of unmatched peaks" value="25"/> | |
102 <search_score name="mvh" value="9.639448642731"/> | |
103 <search_score name="mzFidelity" value="12.288225127384"/> | |
104 <search_score name="xcorr" value="0.24297397212008945"/> | |
105 </search_hit> | |
106 <search_hit hit_rank="1" peptide="ARDSAPSFLYGGGR" peptide_prev_aa="-" peptide_next_aa="I" protein="rev_RPA4791" num_tot_proteins="1" calc_neutral_pep_mass="1453.55834" massdiff="-3.30983059936" num_tol_term="2" num_missed_cleavages="1" num_matched_ions="2" tot_num_ions="27"> | |
107 <search_score name="number of matched peaks" value="2"/> | |
108 <search_score name="number of unmatched peaks" value="25"/> | |
109 <search_score name="mvh" value="9.639448642731"/> | |
110 <search_score name="mzFidelity" value="12.288225127384"/> | |
111 <search_score name="xcorr" value="0.29122955967718733"/> | |
112 </search_hit> | |
113 <search_hit hit_rank="2" peptide="YQFGSCGGGEVSIR" peptide_prev_aa="K" peptide_next_aa="L" protein="rev_RPA2856" num_tot_proteins="1" calc_neutral_pep_mass="1459.58276" massdiff="2.71458940064" num_tol_term="2" num_missed_cleavages="0" num_matched_ions="2" tot_num_ions="28"> | |
114 <search_score name="number of matched peaks" value="2"/> | |
115 <search_score name="number of unmatched peaks" value="26"/> | |
116 <search_score name="mvh" value="9.566092014313"/> | |
117 <search_score name="mzFidelity" value="12.143032047397"/> | |
118 <search_score name="xcorr" value="0.32399273418844676"/> | |
119 </search_hit> | |
120 </search_result> | |
121 </spectrum_query> | |
122 <spectrum_query spectrum="Rpal_01.6.6.3" spectrumNativeID="controllerType=0 controllerNumber=1 scan=6" start_scan="6" end_scan="6" precursor_neutral_mass="1435.68817059936" assumed_charge="3" index="5"> | |
123 <search_result num_target_comparisons="2664" num_decoy_comparisons="2703"> | |
124 <search_hit hit_rank="1" peptide="WTCTHREPDMR" peptide_prev_aa="K" peptide_next_aa="L" protein="rev_RPA0358" num_tot_proteins="1" calc_neutral_pep_mass="1431.5991" massdiff="-4.08907059936" num_tol_term="2" num_missed_cleavages="1" num_matched_ions="1" tot_num_ions="22"> | |
125 <search_score name="number of matched peaks" value="1"/> | |
126 <search_score name="number of unmatched peaks" value="21"/> | |
127 <search_score name="mvh" value="4.771549940109"/> | |
128 <search_score name="mzFidelity" value="6.19199306784"/> | |
129 <search_score name="xcorr" value="0.33668218702788"/> | |
130 </search_hit> | |
131 <search_hit hit_rank="2" peptide="ALDAPEITEYWK" peptide_prev_aa="R" peptide_next_aa="S" protein="RPA2211" num_tot_proteins="1" calc_neutral_pep_mass="1435.57622" massdiff="-0.11195059936" num_tol_term="2" num_missed_cleavages="0" num_matched_ions="1" tot_num_ions="23"> | |
132 <search_score name="number of matched peaks" value="1"/> | |
133 <search_score name="number of unmatched peaks" value="22"/> | |
134 <search_score name="mvh" value="4.72772860527"/> | |
135 <search_score name="mzFidelity" value="6.104439812757"/> | |
136 <search_score name="xcorr" value="0.50852873161295431"/> | |
137 </search_hit> | |
138 <search_hit hit_rank="2" peptide="GLTEVFGEFRER" peptide_prev_aa="R" peptide_next_aa="G" protein="rev_RPA2234" num_tot_proteins="1" calc_neutral_pep_mass="1439.57152" massdiff="3.88334940064" num_tol_term="2" num_missed_cleavages="1" num_matched_ions="1" tot_num_ions="23"> | |
139 <search_score name="number of matched peaks" value="1"/> | |
140 <search_score name="number of unmatched peaks" value="22"/> | |
141 <search_score name="mvh" value="4.72772860527"/> | |
142 <search_score name="mzFidelity" value="6.104439812757"/> | |
143 <search_score name="xcorr" value="0.090642644567764358"/> | |
144 </search_hit> | |
145 </search_result> | |
146 </spectrum_query> | |
147 <spectrum_query spectrum="Rpal_01.18.18.2" spectrumNativeID="controllerType=0 controllerNumber=1 scan=18" start_scan="18" end_scan="18" precursor_neutral_mass="2444.86544706624" assumed_charge="2" index="7"> | |
148 <search_result num_target_comparisons="2396" num_decoy_comparisons="2378"> | |
149 <search_hit hit_rank="1" peptide="EAGVAVTVRLTVRRPRLGQPLR" peptide_prev_aa="K" peptide_next_aa="V" protein="rev_RPA0929" num_tot_proteins="1" calc_neutral_pep_mass="2444.8806" massdiff="0.01515293376" num_tol_term="2" num_missed_cleavages="4" num_matched_ions="1" tot_num_ions="29"> | |
150 <search_score name="number of matched peaks" value="1"/> | |
151 <search_score name="number of unmatched peaks" value="28"/> | |
152 <search_score name="mvh" value="6.366468429565"/> | |
153 <search_score name="mzFidelity" value="5.650373022565"/> | |
154 <search_score name="xcorr" value="0.19870963499199726"/> | |
155 </search_hit> | |
156 <search_hit hit_rank="2" peptide="PGRVRDEVLVPLPRPRTAEMR" peptide_prev_aa="R" peptide_next_aa="S" protein="RPA4163" num_tot_proteins="1" calc_neutral_pep_mass="2444.85738" massdiff="-0.00806706624" num_tol_term="2" num_missed_cleavages="4" num_matched_ions="1" tot_num_ions="28"> | |
157 <search_score name="number of matched peaks" value="1"/> | |
158 <search_score name="number of unmatched peaks" value="27"/> | |
159 <search_score name="mvh" value="5.484818696976"/> | |
160 <search_score name="mzFidelity" value="5.718845762685"/> | |
161 <search_score name="xcorr" value="0.21646692322489985"/> | |
162 </search_hit> | |
163 </search_result> | |
164 </spectrum_query> | |
165 <spectrum_query spectrum="Rpal_01.18.18.3" spectrumNativeID="controllerType=0 controllerNumber=1 scan=18" start_scan="18" end_scan="18" precursor_neutral_mass="3667.29817059936" assumed_charge="3" index="8"> | |
166 <search_result num_target_comparisons="2396" num_decoy_comparisons="2378"> | |
167 <search_hit hit_rank="1" peptide="WAEMEEFQGDKLAADLARTAETCDALIALDVDR" peptide_prev_aa="R" peptide_next_aa="I" protein="rev_RPA2760" num_tot_proteins="1" calc_neutral_pep_mass="3668.02742" massdiff="0.72924940064" num_tol_term="2" num_missed_cleavages="2" num_matched_ions="1" tot_num_ions="62"> | |
168 <search_score name="number of matched peaks" value="1"/> | |
169 <search_score name="number of unmatched peaks" value="61"/> | |
170 <search_score name="mvh" value="5.621503353119"/> | |
171 <search_score name="mzFidelity" value="4.220733811822"/> | |
172 <search_score name="xcorr" value="0.23354606578336706"/> | |
173 </search_hit> | |
174 <search_hit hit_rank="2" peptide="VIKKSTTGRVLSDDILVIRKGEIAARNASHKMR" peptide_prev_aa="K" peptide_next_aa="V" protein="rev_RPA3091" num_tot_proteins="1" calc_neutral_pep_mass="3664.2889" massdiff="-3.009270599361" num_tol_term="2" num_missed_cleavages="7" num_matched_ions="1" tot_num_ions="62"> | |
175 <search_score name="number of matched peaks" value="1"/> | |
176 <search_score name="number of unmatched peaks" value="61"/> | |
177 <search_score name="mvh" value="4.705212593079"/> | |
178 <search_score name="mzFidelity" value="4.220733811822"/> | |
179 <search_score name="xcorr" value="0.33999514155915078"/> | |
180 </search_hit> | |
181 <search_hit hit_rank="3" peptide="YGRPLRLNAPWWFWNMFGEQGVFLLSRAQK" peptide_prev_aa="R" peptide_next_aa="K" protein="RPA4436" num_tot_proteins="1" calc_neutral_pep_mass="3669.22194" massdiff="1.92376940064" num_tol_term="2" num_missed_cleavages="3" num_matched_ions="1" tot_num_ions="56"> | |
182 <search_score name="number of matched peaks" value="1"/> | |
183 <search_score name="number of unmatched peaks" value="55"/> | |
184 <search_score name="mvh" value="4.216502189636"/> | |
185 <search_score name="mzFidelity" value="4.403077095805"/> | |
186 <search_score name="xcorr" value="0.31230731711549931"/> | |
187 </search_hit> | |
188 </search_result> | |
189 </spectrum_query> | |
190 <spectrum_query spectrum="Rpal_01.20.20.2" spectrumNativeID="controllerType=0 controllerNumber=1 scan=20" start_scan="20" end_scan="20" precursor_neutral_mass="836.62544706624" assumed_charge="2" index="10"> | |
191 <search_result num_target_comparisons="2377" num_decoy_comparisons="2359"> | |
192 <search_hit hit_rank="1" peptide="PPSHSRR" peptide_prev_aa="R" peptide_next_aa="A" protein="RPA2556" num_tot_proteins="1" calc_neutral_pep_mass="835.91088" massdiff="-0.71456706624" num_tol_term="2" num_missed_cleavages="1" num_matched_ions="1" tot_num_ions="12"> | |
193 <search_score name="number of matched peaks" value="1"/> | |
194 <search_score name="number of unmatched peaks" value="11"/> | |
195 <search_score name="mvh" value="5.165723323822"/> | |
196 <search_score name="mzFidelity" value="7.39388253707"/> | |
197 <search_score name="xcorr" value="0.15096145810186862"/> | |
198 </search_hit> | |
199 </search_result> | |
200 </spectrum_query> | |
201 <spectrum_query spectrum="Rpal_01.20.20.3" spectrumNativeID="controllerType=0 controllerNumber=1 scan=20" start_scan="20" end_scan="20" precursor_neutral_mass="1254.93817059936" assumed_charge="3" index="11"> | |
202 <search_result num_target_comparisons="2377" num_decoy_comparisons="2359"> | |
203 <search_hit hit_rank="1" peptide="GRKKRRWDR" peptide_prev_aa="-" peptide_next_aa="K" protein="rev_RPA2576" num_tot_proteins="1" calc_neutral_pep_mass="1257.45118" massdiff="2.51300940064" num_tol_term="2" num_missed_cleavages="5" num_matched_ions="1" tot_num_ions="17"> | |
204 <search_score name="number of matched peaks" value="1"/> | |
205 <search_score name="number of unmatched peaks" value="16"/> | |
206 <search_score name="mvh" value="5.514616966248"/> | |
207 <search_score name="mzFidelity" value="6.701621452441"/> | |
208 <search_score name="xcorr" value="0.11619574564043432"/> | |
209 </search_hit> | |
210 <search_hit hit_rank="2" peptide="KRRDKKRLR" peptide_prev_aa="K" peptide_next_aa="E" protein="RPA3081" num_tot_proteins="1" calc_neutral_pep_mass="1255.51988" massdiff="0.58170940064" num_tol_term="2" num_missed_cleavages="6" num_matched_ions="1" tot_num_ions="18"> | |
211 <search_score name="number of matched peaks" value="1"/> | |
212 <search_score name="number of unmatched peaks" value="17"/> | |
213 <search_score name="mvh" value="5.458269119263"/> | |
214 <search_score name="mzFidelity" value="6.588355047646"/> | |
215 <search_score name="xcorr" value="0.44604161430476236"/> | |
216 </search_hit> | |
217 </search_result> | |
218 </spectrum_query> | |
219 <spectrum_query spectrum="Rpal_01.21.21.2" spectrumNativeID="controllerType=0 controllerNumber=1 scan=21" start_scan="21" end_scan="21" precursor_neutral_mass="1996.44544706624" assumed_charge="2" index="13"> | |
220 <search_result num_target_comparisons="2376" num_decoy_comparisons="2457"> | |
221 <search_hit hit_rank="1" peptide="VPRKPQPRKAAVRRPSR" peptide_prev_aa="K" peptide_next_aa="A" protein="rev_RPA2589" num_tot_proteins="1" calc_neutral_pep_mass="1999.3734" massdiff="2.92795293376" num_tol_term="2" num_missed_cleavages="6" num_matched_ions="1" tot_num_ions="29"> | |
222 <search_score name="number of matched peaks" value="1"/> | |
223 <search_score name="number of unmatched peaks" value="28"/> | |
224 <search_score name="mvh" value="5.263653278351"/> | |
225 <search_score name="mzFidelity" value="5.650519300492"/> | |
226 <search_score name="xcorr" value="0.38562970847777772"/> | |
227 </search_hit> | |
228 <search_hit hit_rank="2" peptide="KALEGDEHPDIIVFRKK" peptide_prev_aa="K" peptide_next_aa="D" protein="rev_RPA0865" num_tot_proteins="1" calc_neutral_pep_mass="1995.28208" massdiff="-1.16336706624" num_tol_term="2" num_missed_cleavages="3" num_matched_ions="1" tot_num_ions="30"> | |
229 <search_score name="number of matched peaks" value="1"/> | |
230 <search_score name="number of unmatched peaks" value="29"/> | |
231 <search_score name="mvh" value="5.230051994324"/> | |
232 <search_score name="mzFidelity" value="5.584485484559"/> | |
233 <search_score name="xcorr" value="0.1350407991673217"/> | |
234 </search_hit> | |
235 <search_hit hit_rank="2" peptide="SVTPEYLICLEDGKRFK" peptide_prev_aa="K" peptide_next_aa="S" protein="RPA1852" num_tot_proteins="1" calc_neutral_pep_mass="1998.30256" massdiff="1.85711293376" num_tol_term="2" num_missed_cleavages="2" num_matched_ions="1" tot_num_ions="30"> | |
236 <search_score name="number of matched peaks" value="1"/> | |
237 <search_score name="number of unmatched peaks" value="29"/> | |
238 <search_score name="mvh" value="5.230051994324"/> | |
239 <search_score name="mzFidelity" value="5.584485484559"/> | |
240 <search_score name="xcorr" value="0.21671201714405447"/> | |
241 </search_hit> | |
242 </search_result> | |
243 </spectrum_query> | |
244 <spectrum_query spectrum="Rpal_01.21.21.3" spectrumNativeID="controllerType=0 controllerNumber=1 scan=21" start_scan="21" end_scan="21" precursor_neutral_mass="2994.66817059936" assumed_charge="3" index="14"> | |
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