mspire 0.2.4 → 0.3.0

This diff represents the content of publicly available package versions that have been released to one of the supported registries. The information contained in this diff is provided for informational purposes only and reflects changes between package versions as they appear in their respective public registries.
Files changed (233) hide show
  1. data/INSTALL +1 -0
  2. data/README +25 -0
  3. data/Rakefile +129 -40
  4. data/bin/{find_aa_freq.rb → aafreqs.rb} +2 -2
  5. data/bin/bioworks_to_pepxml.rb +1 -0
  6. data/bin/fasta_shaker.rb +1 -96
  7. data/bin/filter_and_validate.rb +5 -0
  8. data/bin/{mzxml_to_lmat.rb → ms_to_lmat.rb} +8 -7
  9. data/bin/prob_validate.rb +6 -0
  10. data/bin/raw_to_mzXML.rb +2 -2
  11. data/bin/srf_group.rb +1 -0
  12. data/bin/srf_to_sqt.rb +40 -0
  13. data/changelog.txt +68 -0
  14. data/lib/align/chams.rb +6 -6
  15. data/lib/align.rb +4 -3
  16. data/lib/bsearch.rb +120 -0
  17. data/lib/fasta.rb +318 -86
  18. data/lib/group_by.rb +10 -0
  19. data/lib/index_by.rb +11 -0
  20. data/lib/merge_deep.rb +21 -0
  21. data/lib/{spec → ms/converter}/mzxml.rb +77 -109
  22. data/lib/ms/gradient_program.rb +171 -0
  23. data/lib/ms/msrun.rb +209 -0
  24. data/lib/{spec/msrun.rb → ms/msrun_index.rb} +7 -40
  25. data/lib/ms/parser/mzdata/axml.rb +12 -0
  26. data/lib/ms/parser/mzdata/dom.rb +160 -0
  27. data/lib/ms/parser/mzdata/libxml.rb +7 -0
  28. data/lib/ms/parser/mzdata.rb +25 -0
  29. data/lib/ms/parser/mzxml/axml.rb +11 -0
  30. data/lib/ms/parser/mzxml/dom.rb +159 -0
  31. data/lib/ms/parser/mzxml/hpricot.rb +253 -0
  32. data/lib/ms/parser/mzxml/libxml.rb +15 -0
  33. data/lib/ms/parser/mzxml/regexp.rb +122 -0
  34. data/lib/ms/parser/mzxml/rexml.rb +72 -0
  35. data/lib/ms/parser/mzxml/xmlparser.rb +248 -0
  36. data/lib/ms/parser/mzxml.rb +175 -0
  37. data/lib/ms/parser.rb +108 -0
  38. data/lib/ms/precursor.rb +10 -0
  39. data/lib/ms/scan.rb +81 -0
  40. data/lib/ms/spectrum.rb +193 -0
  41. data/lib/ms.rb +10 -0
  42. data/lib/mspire.rb +4 -0
  43. data/lib/roc.rb +61 -1
  44. data/lib/sample_enzyme.rb +31 -8
  45. data/lib/scan_i.rb +21 -0
  46. data/lib/spec_id/aa_freqs.rb +7 -3
  47. data/lib/spec_id/bioworks.rb +20 -14
  48. data/lib/spec_id/digestor.rb +139 -0
  49. data/lib/spec_id/mass.rb +116 -0
  50. data/lib/spec_id/parser/proph.rb +236 -0
  51. data/lib/spec_id/precision/filter/cmdline.rb +209 -0
  52. data/lib/spec_id/precision/filter/interactive.rb +134 -0
  53. data/lib/spec_id/precision/filter/output.rb +147 -0
  54. data/lib/spec_id/precision/filter.rb +623 -0
  55. data/lib/spec_id/precision/output.rb +60 -0
  56. data/lib/spec_id/precision/prob/cmdline.rb +139 -0
  57. data/lib/spec_id/precision/prob/output.rb +88 -0
  58. data/lib/spec_id/precision/prob.rb +171 -0
  59. data/lib/spec_id/proph/pep_summary.rb +92 -0
  60. data/lib/spec_id/proph/prot_summary.rb +484 -0
  61. data/lib/spec_id/proph.rb +2 -466
  62. data/lib/spec_id/protein_summary.rb +2 -2
  63. data/lib/spec_id/sequest/params.rb +316 -0
  64. data/lib/spec_id/sequest/pepxml.rb +1513 -0
  65. data/lib/spec_id/sequest.rb +2 -1672
  66. data/lib/spec_id/srf.rb +445 -177
  67. data/lib/spec_id.rb +183 -95
  68. data/lib/spec_id_xml.rb +8 -10
  69. data/lib/transmem/phobius.rb +147 -0
  70. data/lib/transmem/toppred.rb +368 -0
  71. data/lib/transmem.rb +157 -0
  72. data/lib/validator/aa.rb +135 -0
  73. data/lib/validator/background.rb +73 -0
  74. data/lib/validator/bias.rb +95 -0
  75. data/lib/validator/cmdline.rb +260 -0
  76. data/lib/validator/decoy.rb +94 -0
  77. data/lib/validator/digestion_based.rb +69 -0
  78. data/lib/validator/probability.rb +48 -0
  79. data/lib/validator/prot_from_pep.rb +234 -0
  80. data/lib/validator/transmem.rb +272 -0
  81. data/lib/validator/true_pos.rb +46 -0
  82. data/lib/validator.rb +214 -0
  83. data/lib/xml.rb +38 -0
  84. data/lib/xml_style_parser.rb +105 -0
  85. data/lib/xmlparser_wrapper.rb +19 -0
  86. data/script/compile_and_plot_smriti_final.rb +97 -0
  87. data/script/extract_gradient_programs.rb +56 -0
  88. data/script/get_apex_values_rexml.rb +44 -0
  89. data/script/mzXML2timeIndex.rb +1 -1
  90. data/script/smriti_final_analysis.rb +103 -0
  91. data/script/toppred_to_yaml.rb +47 -0
  92. data/script/tpp_installer.rb +1 -1
  93. data/{test/tc_align.rb → specs/align_spec.rb} +21 -27
  94. data/{test/tc_bioworks_to_pepxml.rb → specs/bin/bioworks_to_pepxml_spec.rb} +25 -41
  95. data/specs/bin/fasta_shaker_spec.rb +259 -0
  96. data/specs/bin/filter_and_validate__multiple_vals_helper.yaml +202 -0
  97. data/specs/bin/filter_and_validate_spec.rb +124 -0
  98. data/specs/bin/ms_to_lmat_spec.rb +34 -0
  99. data/specs/bin/prob_validate_spec.rb +62 -0
  100. data/specs/bin/protein_summary_spec.rb +10 -0
  101. data/{test/tc_fasta.rb → specs/fasta_spec.rb} +354 -310
  102. data/specs/gi_spec.rb +22 -0
  103. data/specs/load_bin_path.rb +7 -0
  104. data/specs/merge_deep_spec.rb +13 -0
  105. data/specs/ms/gradient_program_spec.rb +77 -0
  106. data/specs/ms/msrun_spec.rb +455 -0
  107. data/specs/ms/parser_spec.rb +92 -0
  108. data/specs/ms/spectrum_spec.rb +89 -0
  109. data/specs/roc_spec.rb +251 -0
  110. data/specs/rspec_autotest.rb +149 -0
  111. data/specs/sample_enzyme_spec.rb +41 -0
  112. data/specs/spec_helper.rb +133 -0
  113. data/specs/spec_id/aa_freqs_spec.rb +52 -0
  114. data/{test/tc_bioworks.rb → specs/spec_id/bioworks_spec.rb} +56 -71
  115. data/specs/spec_id/digestor_spec.rb +75 -0
  116. data/specs/spec_id/precision/filter/cmdline_spec.rb +20 -0
  117. data/specs/spec_id/precision/filter/output_spec.rb +31 -0
  118. data/specs/spec_id/precision/filter_spec.rb +243 -0
  119. data/specs/spec_id/precision/prob_spec.rb +111 -0
  120. data/specs/spec_id/precision/prob_spec_helper.rb +0 -0
  121. data/specs/spec_id/proph/pep_summary_spec.rb +143 -0
  122. data/{test/tc_proph.rb → specs/spec_id/proph/prot_summary_spec.rb} +52 -32
  123. data/{test/tc_protein_summary.rb → specs/spec_id/protein_summary_spec.rb} +85 -0
  124. data/specs/spec_id/sequest/params_spec.rb +68 -0
  125. data/specs/spec_id/sequest/pepxml_spec.rb +452 -0
  126. data/specs/spec_id/sqt_spec.rb +138 -0
  127. data/specs/spec_id/srf_spec.rb +209 -0
  128. data/specs/spec_id/srf_spec_helper.rb +302 -0
  129. data/specs/spec_id_helper.rb +33 -0
  130. data/specs/spec_id_spec.rb +361 -0
  131. data/specs/spec_id_xml_spec.rb +33 -0
  132. data/specs/transmem/phobius_spec.rb +423 -0
  133. data/specs/transmem/toppred_spec.rb +297 -0
  134. data/specs/transmem_spec.rb +60 -0
  135. data/specs/transmem_spec_shared.rb +64 -0
  136. data/specs/validator/aa_spec.rb +107 -0
  137. data/specs/validator/background_spec.rb +51 -0
  138. data/specs/validator/bias_spec.rb +146 -0
  139. data/specs/validator/decoy_spec.rb +51 -0
  140. data/specs/validator/fasta_helper.rb +26 -0
  141. data/specs/validator/prot_from_pep_spec.rb +141 -0
  142. data/specs/validator/transmem_spec.rb +145 -0
  143. data/specs/validator/true_pos_spec.rb +58 -0
  144. data/specs/validator_helper.rb +33 -0
  145. data/specs/xml_spec.rb +12 -0
  146. data/test_files/000_pepxml18_small.xml +206 -0
  147. data/test_files/020a.mzXML.timeIndex +4710 -0
  148. data/test_files/4-03-03_mzXML/000.mzXML.timeIndex +3973 -0
  149. data/test_files/4-03-03_mzXML/020.mzXML.timeIndex +3872 -0
  150. data/test_files/4-03-03_small-prot.xml +321 -0
  151. data/test_files/4-03-03_small.xml +3876 -0
  152. data/test_files/7MIX_STD_110802_1.sequest_params_fragment.srf +0 -0
  153. data/test_files/bioworks-3.3_10prots.xml +5999 -0
  154. data/test_files/bioworks31.params +77 -0
  155. data/test_files/bioworks32.params +62 -0
  156. data/test_files/bioworks33.params +63 -0
  157. data/test_files/bioworks_single_run_small.xml +7237 -0
  158. data/test_files/bioworks_small.fasta +212 -0
  159. data/test_files/bioworks_small.params +63 -0
  160. data/test_files/bioworks_small.phobius +109 -0
  161. data/test_files/bioworks_small.toppred.out +2847 -0
  162. data/test_files/bioworks_small.xml +5610 -0
  163. data/test_files/bioworks_with_INV_small.xml +3753 -0
  164. data/test_files/bioworks_with_SHUFF_small.xml +2503 -0
  165. data/test_files/corrupted_900.srf +0 -0
  166. data/test_files/head_of_7MIX.srf +0 -0
  167. data/test_files/interact-opd1_mods_small-prot.xml +304 -0
  168. data/test_files/messups.fasta +297 -0
  169. data/test_files/opd1/000.my_answer.100lines.xml +101 -0
  170. data/test_files/opd1/000.tpp_1.2.3.first10.xml +115 -0
  171. data/test_files/opd1/000.tpp_2.9.2.first10.xml +126 -0
  172. data/test_files/opd1/000.v2.1.mzXML.timeIndex +3748 -0
  173. data/test_files/opd1/000_020-prot.png +0 -0
  174. data/test_files/opd1/000_020_3prots-prot.mod_initprob.xml +62 -0
  175. data/test_files/opd1/000_020_3prots-prot.xml +62 -0
  176. data/test_files/opd1/opd1_cat_inv_small-prot.xml +139 -0
  177. data/test_files/opd1/sequest.3.1.params +77 -0
  178. data/test_files/opd1/sequest.3.2.params +62 -0
  179. data/test_files/opd1/twenty_scans.mzXML +418 -0
  180. data/test_files/opd1/twenty_scans.v2.1.mzXML +382 -0
  181. data/test_files/opd1/twenty_scans_answ.lmat +0 -0
  182. data/test_files/opd1/twenty_scans_answ.lmata +9 -0
  183. data/test_files/opd1_020_beginning.RAW +0 -0
  184. data/test_files/opd1_2runs_2mods/interact-opd1_mods__small.xml +753 -0
  185. data/test_files/orbitrap_mzData/000_cut.xml +1920 -0
  186. data/test_files/pepproph_small.xml +4691 -0
  187. data/test_files/phobius.small.noheader.txt +50 -0
  188. data/test_files/phobius.small.small.txt +53 -0
  189. data/test_files/s01_anC1_ld020mM.key.txt +25 -0
  190. data/test_files/s01_anC1_ld020mM.meth +0 -0
  191. data/test_files/small.fasta +297 -0
  192. data/test_files/smallraw.RAW +0 -0
  193. data/test_files/tf_bioworks2excel.bioXML +14340 -0
  194. data/test_files/tf_bioworks2excel.txt.actual +1035 -0
  195. data/test_files/toppred.small.out +416 -0
  196. data/test_files/toppred.xml.out +318 -0
  197. data/test_files/validator_hits_separate/bias_bioworks_small_HS.fasta +7 -0
  198. data/test_files/validator_hits_separate/bioworks_small_HS.xml +5651 -0
  199. data/test_files/yeast_gly_small-prot.xml +265 -0
  200. data/test_files/yeast_gly_small.1.0_1.0_1.0.parentTimes +6 -0
  201. data/test_files/yeast_gly_small.xml +3807 -0
  202. data/test_files/yeast_gly_small2.parentTimes +6 -0
  203. metadata +273 -57
  204. data/bin/filter.rb +0 -6
  205. data/bin/precision.rb +0 -5
  206. data/lib/spec/mzdata/parser.rb +0 -108
  207. data/lib/spec/mzdata.rb +0 -48
  208. data/lib/spec/mzxml/parser.rb +0 -449
  209. data/lib/spec/scan.rb +0 -55
  210. data/lib/spec_id/filter.rb +0 -797
  211. data/lib/spec_id/precision.rb +0 -421
  212. data/lib/toppred.rb +0 -18
  213. data/script/filter-peps.rb +0 -164
  214. data/test/tc_aa_freqs.rb +0 -59
  215. data/test/tc_fasta_shaker.rb +0 -149
  216. data/test/tc_filter.rb +0 -203
  217. data/test/tc_filter_peps.rb +0 -46
  218. data/test/tc_gi.rb +0 -17
  219. data/test/tc_id_class_anal.rb +0 -70
  220. data/test/tc_id_precision.rb +0 -89
  221. data/test/tc_msrun.rb +0 -88
  222. data/test/tc_mzxml.rb +0 -88
  223. data/test/tc_mzxml_to_lmat.rb +0 -36
  224. data/test/tc_peptide_parent_times.rb +0 -27
  225. data/test/tc_precision.rb +0 -60
  226. data/test/tc_roc.rb +0 -166
  227. data/test/tc_sample_enzyme.rb +0 -32
  228. data/test/tc_scan.rb +0 -26
  229. data/test/tc_sequest.rb +0 -336
  230. data/test/tc_spec.rb +0 -78
  231. data/test/tc_spec_id.rb +0 -201
  232. data/test/tc_spec_id_xml.rb +0 -36
  233. data/test/tc_srf.rb +0 -262
@@ -0,0 +1,206 @@
1
+ <?xml version="1.0" encoding="UTF-8"?>
2
+ <?xml-stylesheet type="text/xsl" href="/tools/bin/TPP/tpp/schema/pepXML_std.xsl"?>
3
+ <msms_pipeline_analysis date="2006-07-20T17:23:26" xmlns="http://regis-web.systemsbiology.net/pepXML" xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance" xsi:schemaLocation="http://regis-web.systemsbiology.net/pepXML /tools/bin/TPP/tpp/schema/pepXML_v18.xsd" summary_xml="000.xml">
4
+ <msms_run_summary base_name="/work/john/021112.EcoliSol37.1/000" msManufacturer="ThermoFinnigan" msModel="LCQ Classic" msIonization="ESI" msMassAnalyzer="Ion Trap" msDetector="UNKNOWN" raw_data_type="raw" raw_data=".mzXML">
5
+ <sample_enzyme name="trypsin">
6
+ <specificity cut="KR" no_cut="P" sense="C"/>
7
+ </sample_enzyme>
8
+ <search_summary base_name="/work/john/021112.EcoliSol37.1/000" search_engine="SEQUEST" precursor_mass_type="average" fragment_mass_type="average" out_data_type="out" out_data=".tgz" search_id="1">
9
+ <search_database local_path="/work/ms/database/ecoli_K12.fasta" type="AA"/>
10
+ <enzymatic_search_constraint enzyme="Trypsin" max_num_internal_cleavages="2" min_number_termini="2"/>
11
+ <parameter name="peptide_mass_tol" value="1.500"/>
12
+ <parameter name="fragment_ion_tol" value="0.000"/>
13
+ <parameter name="ion_series" value=" 0 1 1 0.0 1.0 0.0 0.0 0.0 0.0 0.0 1.0 0.0"/>
14
+ <parameter name="max_num_differential_AA_per_mod" value="4"/>
15
+ <parameter name="nucleotide_reading_frame" value="0"/>
16
+ <parameter name="num_output_lines" value="10"/>
17
+ <parameter name="remove_precursor_peak" value="0"/>
18
+ <parameter name="ion_cutoff_percentage" value="0.0"/>
19
+ <parameter name="match_peak_count" value="0"/>
20
+ <parameter name="match_peak_allowed_error" value="1"/>
21
+ <parameter name="match_peak_tolerance" value="1.0"/>
22
+ <parameter name="protein_mass_filter" value="0 0"/>
23
+ <parameter name="sequence_header_filter" value=""/>
24
+ </search_summary>
25
+ <spectrum_query spectrum="000.100.100.1" start_scan="100" end_scan="100" precursor_neutral_mass="1074.5920" assumed_charge="1" index="1">
26
+ <search_result> <search_hit hit_rank="1" peptide="SIYFRNFK" peptide_prev_aa="R" peptide_next_aa="G" protein="gi|16130084|ref|NP_416651.1|" num_tot_proteins="1" num_matched_ions=" 4" tot_num_ions=" 14" calc_neutral_pep_mass="1074.1920" massdiff="+0.4" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
27
+ <search_score name="xcorr" value="0.400"/>
28
+ <search_score name="deltacn" value="0.023"/>
29
+ <search_score name="deltacnstar" value="0"/>
30
+ <search_score name="spscore" value="78.8"/>
31
+ <search_score name="sprank" value="1"/>
32
+ </search_hit>
33
+ </search_result>
34
+ </spectrum_query>
35
+ <spectrum_query spectrum="000.1000.1000.1" start_scan="1000" end_scan="1000" precursor_neutral_mass="663.1920" assumed_charge="1" index="2">
36
+ <search_result> <search_hit hit_rank="1" peptide="ALADFK" peptide_prev_aa="R" peptide_next_aa="S" protein="gi|16128765|ref|NP_415318.1|" num_tot_proteins="1" num_matched_ions=" 5" tot_num_ions=" 10" calc_neutral_pep_mass="663.7920" massdiff="-0.6" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
37
+ <search_score name="xcorr" value="0.965"/>
38
+ <search_score name="deltacn" value="0.132"/>
39
+ <search_score name="deltacnstar" value="0"/>
40
+ <search_score name="spscore" value="81.1"/>
41
+ <search_score name="sprank" value="1"/>
42
+ </search_hit>
43
+ </search_result>
44
+ </spectrum_query>
45
+ <spectrum_query spectrum="000.1002.1002.1" start_scan="1002" end_scan="1002" precursor_neutral_mass="1291.6920" assumed_charge="1" index="3">
46
+ <search_result> <search_hit hit_rank="1" peptide="EETEWRVQSK" peptide_prev_aa="R" peptide_next_aa="R" protein="gi|16128280|ref|NP_414829.1|" num_tot_proteins="1" num_matched_ions=" 10" tot_num_ions=" 18" calc_neutral_pep_mass="1291.3920" massdiff="+0.3" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
47
+ <search_score name="xcorr" value="0.904"/>
48
+ <search_score name="deltacn" value="0.041"/>
49
+ <search_score name="deltacnstar" value="0"/>
50
+ <search_score name="spscore" value="140.0"/>
51
+ <search_score name="sprank" value="1"/>
52
+ </search_hit>
53
+ </search_result>
54
+ </spectrum_query>
55
+ <spectrum_query spectrum="000.1003.1003.1" start_scan="1003" end_scan="1003" precursor_neutral_mass="769.3920" assumed_charge="1" index="4">
56
+ <search_result> <search_hit hit_rank="1" peptide="NIGLLNK" peptide_prev_aa="R" peptide_next_aa="I" protein="gi|16129238|ref|NP_415793.1|" num_tot_proteins="1" num_matched_ions=" 8" tot_num_ions=" 12" calc_neutral_pep_mass="770.8920" massdiff="-1.5" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
57
+ <search_score name="xcorr" value="0.887"/>
58
+ <search_score name="deltacn" value="0.115"/>
59
+ <search_score name="deltacnstar" value="0"/>
60
+ <search_score name="spscore" value="153.1"/>
61
+ <search_score name="sprank" value="2"/>
62
+ </search_hit>
63
+ </search_result>
64
+ </spectrum_query>
65
+ <spectrum_query spectrum="000.1004.1004.2" start_scan="1004" end_scan="1004" precursor_neutral_mass="1252.2920" assumed_charge="2" index="5">
66
+ <search_result> <search_hit hit_rank="1" peptide="QLTYTAHGPHK" peptide_prev_aa="R" peptide_next_aa="A" protein="gi|16131568|ref|NP_418155.1|" num_tot_proteins="1" num_matched_ions=" 7" tot_num_ions=" 20" calc_neutral_pep_mass="1252.3920" massdiff="-0.1" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
67
+ <search_score name="xcorr" value="1.066"/>
68
+ <search_score name="deltacn" value="0.172"/>
69
+ <search_score name="deltacnstar" value="0"/>
70
+ <search_score name="spscore" value="125.2"/>
71
+ <search_score name="sprank" value="10"/>
72
+ </search_hit>
73
+ </search_result>
74
+ </spectrum_query>
75
+ <spectrum_query spectrum="000.1004.1004.3" start_scan="1004" end_scan="1004" precursor_neutral_mass="1878.4920" assumed_charge="3" index="6">
76
+ <search_result> <search_hit hit_rank="1" peptide="AGNARVVNSNAMSFLAQK" peptide_prev_aa="K" peptide_next_aa="G" protein="gi|16131337|ref|NP_417922.1|" num_tot_proteins="1" num_matched_ions=" 16" tot_num_ions=" 68" calc_neutral_pep_mass="1878.0920" massdiff="+0.4" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
77
+ <search_score name="xcorr" value="1.370"/>
78
+ <search_score name="deltacn" value="0.199"/>
79
+ <search_score name="deltacnstar" value="0"/>
80
+ <search_score name="spscore" value="245.0"/>
81
+ <search_score name="sprank" value="2"/>
82
+ </search_hit>
83
+ </search_result>
84
+ </spectrum_query>
85
+ <spectrum_query spectrum="000.1006.1006.2" start_scan="1006" end_scan="1006" precursor_neutral_mass="888.1920" assumed_charge="2" index="7">
86
+ <search_result> <search_hit hit_rank="1" peptide="GNSRDIVK" peptide_prev_aa="R" peptide_next_aa="A" protein="gi|16131041|ref|NP_417618.1|" num_tot_proteins="1" num_matched_ions=" 9" tot_num_ions=" 14" calc_neutral_pep_mass="887.9920" massdiff="+0.2" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
87
+ <search_score name="xcorr" value="0.982"/>
88
+ <search_score name="deltacn" value="0.006"/>
89
+ <search_score name="deltacnstar" value="0"/>
90
+ <search_score name="spscore" value="267.3"/>
91
+ <search_score name="sprank" value="6"/>
92
+ </search_hit>
93
+ </search_result>
94
+ </spectrum_query>
95
+ <spectrum_query spectrum="000.1006.1006.3" start_scan="1006" end_scan="1006" precursor_neutral_mass="1332.2920" assumed_charge="3" index="8">
96
+ <search_result> <search_hit hit_rank="1" peptide="MAAGENPAAEMIK" peptide_prev_aa="K" peptide_next_aa="S" protein="gi|16132265|ref|NP_418563.1|" num_tot_proteins="2" num_matched_ions=" 16" tot_num_ions=" 48" calc_neutral_pep_mass="1332.5920" massdiff="-0.3" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
97
+ <search_score name="xcorr" value="1.058"/>
98
+ <search_score name="deltacn" value="0.191"/>
99
+ <search_score name="deltacnstar" value="0"/>
100
+ <search_score name="spscore" value="177.5"/>
101
+ <search_score name="sprank" value="8"/>
102
+ </search_hit>
103
+ </search_result>
104
+ </spectrum_query>
105
+ <spectrum_query spectrum="000.1007.1007.1" start_scan="1007" end_scan="1007" precursor_neutral_mass="867.2920" assumed_charge="1" index="9">
106
+ <search_result> <search_hit hit_rank="1" peptide="GALLHVEK" peptide_prev_aa="K" peptide_next_aa="M" protein="gi|16128020|ref|NP_414567.1|" num_tot_proteins="1" num_matched_ions=" 4" tot_num_ions=" 14" calc_neutral_pep_mass="865.9920" massdiff="+1.3" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
107
+ <search_score name="xcorr" value="0.467"/>
108
+ <search_score name="deltacn" value="0.011"/>
109
+ <search_score name="deltacnstar" value="0"/>
110
+ <search_score name="spscore" value="39.4"/>
111
+ <search_score name="sprank" value="30"/>
112
+ </search_hit>
113
+ </search_result>
114
+ </spectrum_query>
115
+ <spectrum_query spectrum="000.1008.1008.2" start_scan="1008" end_scan="1008" precursor_neutral_mass="691.0920" assumed_charge="2" index="10">
116
+ <search_result> <search_hit hit_rank="1" peptide="RLFTR" peptide_prev_aa="R" peptide_next_aa="A" protein="gi|16130457|ref|NP_417027.1|" num_tot_proteins="1" num_matched_ions=" 5" tot_num_ions=" 8" calc_neutral_pep_mass="691.7920" massdiff="-0.7" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
117
+ <search_score name="xcorr" value="0.903"/>
118
+ <search_score name="deltacn" value="0.333"/>
119
+ <search_score name="deltacnstar" value="0"/>
120
+ <search_score name="spscore" value="172.8"/>
121
+ <search_score name="sprank" value="1"/>
122
+ </search_hit>
123
+ </search_result>
124
+ </spectrum_query>
125
+ <spectrum_query spectrum="000.1008.1008.3" start_scan="1008" end_scan="1008" precursor_neutral_mass="1036.7920" assumed_charge="3" index="11">
126
+ <search_result> <search_hit hit_rank="1" peptide="VHEGLNTLR" peptide_prev_aa="R" peptide_next_aa="L" protein="gi|16128370|ref|NP_414919.1|" num_tot_proteins="1" num_matched_ions=" 6" tot_num_ions=" 32" calc_neutral_pep_mass="1038.1920" massdiff="-1.4" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
127
+ <search_score name="xcorr" value="0.767"/>
128
+ <search_score name="deltacn" value="0.089"/>
129
+ <search_score name="deltacnstar" value="0"/>
130
+ <search_score name="spscore" value="66.1"/>
131
+ <search_score name="sprank" value="18"/>
132
+ </search_hit>
133
+ </search_result>
134
+ </spectrum_query>
135
+ <spectrum_query spectrum="000.1010.1010.1" start_scan="1010" end_scan="1010" precursor_neutral_mass="869.4920" assumed_charge="1" index="12">
136
+ <search_result> <search_hit hit_rank="1" peptide="HFRALVK" peptide_prev_aa="K" peptide_next_aa="H" protein="gi|16130926|ref|NP_417502.1|" num_tot_proteins="1" num_matched_ions=" 7" tot_num_ions=" 12" calc_neutral_pep_mass="870.0920" massdiff="-0.6" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
137
+ <search_score name="xcorr" value="0.995"/>
138
+ <search_score name="deltacn" value="0.065"/>
139
+ <search_score name="deltacnstar" value="0"/>
140
+ <search_score name="spscore" value="152.2"/>
141
+ <search_score name="sprank" value="1"/>
142
+ </search_hit>
143
+ </search_result>
144
+ </spectrum_query>
145
+ <spectrum_query spectrum="000.1011.1011.1" start_scan="1011" end_scan="1011" precursor_neutral_mass="734.4920" assumed_charge="1" index="13">
146
+ <search_result> <search_hit hit_rank="1" peptide="FRDGLK" peptide_prev_aa="R" peptide_next_aa="E" protein="gi|16132019|ref|NP_418618.1|" num_tot_proteins="1" num_matched_ions=" 7" tot_num_ions=" 10" calc_neutral_pep_mass="734.8920" massdiff="-0.4" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
147
+ <search_score name="xcorr" value="1.467"/>
148
+ <search_score name="deltacn" value="0.396"/>
149
+ <search_score name="deltacnstar" value="0"/>
150
+ <search_score name="spscore" value="140.5"/>
151
+ <search_score name="sprank" value="1"/>
152
+ </search_hit>
153
+ </search_result>
154
+ </spectrum_query>
155
+ <spectrum_query spectrum="000.1012.1012.1" start_scan="1012" end_scan="1012" precursor_neutral_mass="899.3920" assumed_charge="1" index="14">
156
+ <search_result> <search_hit hit_rank="1" peptide="RQLAERK" peptide_prev_aa="R" peptide_next_aa="Q" protein="gi|16129398|ref|NP_415956.1|" num_tot_proteins="1" num_matched_ions=" 6" tot_num_ions=" 12" calc_neutral_pep_mass="899.9920" massdiff="-0.6" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
157
+ <search_score name="xcorr" value="0.797"/>
158
+ <search_score name="deltacn" value="0.156"/>
159
+ <search_score name="deltacnstar" value="0"/>
160
+ <search_score name="spscore" value="37.7"/>
161
+ <search_score name="sprank" value="8"/>
162
+ </search_hit>
163
+ </search_result>
164
+ </spectrum_query>
165
+ <spectrum_query spectrum="000.1014.1014.1" start_scan="1014" end_scan="1014" precursor_neutral_mass="869.5920" assumed_charge="1" index="15">
166
+ <search_result> <search_hit hit_rank="1" peptide="HFRALVK" peptide_prev_aa="K" peptide_next_aa="H" protein="gi|16130926|ref|NP_417502.1|" num_tot_proteins="1" num_matched_ions=" 6" tot_num_ions=" 12" calc_neutral_pep_mass="870.0920" massdiff="-0.5" num_tol_term="2" num_missed_cleavages="1" is_rejected="0">
167
+ <search_score name="xcorr" value="0.908"/>
168
+ <search_score name="deltacn" value="0.005"/>
169
+ <search_score name="deltacnstar" value="0"/>
170
+ <search_score name="spscore" value="110.4"/>
171
+ <search_score name="sprank" value="12"/>
172
+ </search_hit>
173
+ </search_result>
174
+ </spectrum_query>
175
+ <spectrum_query spectrum="000.1015.1015.1" start_scan="1015" end_scan="1015" precursor_neutral_mass="1077.9920" assumed_charge="1" index="16">
176
+ <search_result> <search_hit hit_rank="1" peptide="KVYQLAETK" peptide_prev_aa="K" peptide_next_aa="T" protein="gi|16128363|ref|NP_414912.1|" num_tot_proteins="1" num_matched_ions=" 8" tot_num_ions=" 16" calc_neutral_pep_mass="1079.2920" massdiff="-1.3" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
177
+ <search_score name="xcorr" value="0.897"/>
178
+ <search_score name="deltacn" value="0.056"/>
179
+ <search_score name="deltacnstar" value="0"/>
180
+ <search_score name="spscore" value="125.1"/>
181
+ <search_score name="sprank" value="1"/>
182
+ </search_hit>
183
+ </search_result>
184
+ </spectrum_query>
185
+ <spectrum_query spectrum="000.1016.1016.1" start_scan="1016" end_scan="1016" precursor_neutral_mass="871.6920" assumed_charge="1" index="17">
186
+ <search_result> <search_hit hit_rank="1" peptide="VGAITAANR" peptide_prev_aa="K" peptide_next_aa="I" protein="gi|16129608|ref|NP_416167.1|" num_tot_proteins="1" num_matched_ions=" 9" tot_num_ions=" 16" calc_neutral_pep_mass="871.9920" massdiff="-0.3" num_tol_term="2" num_missed_cleavages="0" is_rejected="0">
187
+ <search_score name="xcorr" value="1.028"/>
188
+ <search_score name="deltacn" value="0.115"/>
189
+ <search_score name="deltacnstar" value="0"/>
190
+ <search_score name="spscore" value="238.6"/>
191
+ <search_score name="sprank" value="1"/>
192
+ </search_hit>
193
+ </search_result>
194
+ </spectrum_query>
195
+ <spectrum_query spectrum="000.1018.1018.1" start_scan="1018" end_scan="1018" precursor_neutral_mass="919.7920" assumed_charge="1" index="18">
196
+ <search_result> <search_hit hit_rank="1" peptide="DFLIATLK" peptide_prev_aa="K" peptide_next_aa="P" protein="gi|16131978|ref|NP_418577.1|" num_tot_proteins="1" num_matched_ions=" 7" tot_num_ions=" 14" calc_neutral_pep_mass="920.0920" massdiff="-0.3" num_tol_term="1" num_missed_cleavages="0" is_rejected="0">
197
+ <search_score name="xcorr" value="1.010"/>
198
+ <search_score name="deltacn" value="0.156"/>
199
+ <search_score name="deltacnstar" value="0"/>
200
+ <search_score name="spscore" value="79.2"/>
201
+ <search_score name="sprank" value="7"/>
202
+ </search_hit>
203
+ </search_result>
204
+ </spectrum_query>
205
+ </msms_run_summary>
206
+ </msms_pipeline_analysis>