mspire 0.4.9 → 0.5.0

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Files changed (255) hide show
  1. data/README +27 -17
  2. data/changelog.txt +31 -62
  3. data/lib/ms/calc.rb +32 -0
  4. data/lib/ms/data/interleaved.rb +60 -0
  5. data/lib/ms/data/lazy_io.rb +73 -0
  6. data/lib/ms/data/lazy_string.rb +15 -0
  7. data/lib/ms/data/simple.rb +59 -0
  8. data/lib/ms/data/transposed.rb +41 -0
  9. data/lib/ms/data.rb +57 -0
  10. data/lib/ms/format/format_error.rb +12 -0
  11. data/lib/ms/spectrum.rb +25 -384
  12. data/lib/ms/support/binary_search.rb +126 -0
  13. data/lib/ms.rb +10 -10
  14. metadata +38 -350
  15. data/INSTALL +0 -58
  16. data/README.rdoc +0 -18
  17. data/Rakefile +0 -330
  18. data/bin/aafreqs.rb +0 -23
  19. data/bin/bioworks2excel.rb +0 -14
  20. data/bin/bioworks_to_pepxml.rb +0 -148
  21. data/bin/bioworks_to_pepxml_gui.rb +0 -225
  22. data/bin/fasta_shaker.rb +0 -5
  23. data/bin/filter_and_validate.rb +0 -5
  24. data/bin/gi2annot.rb +0 -14
  25. data/bin/id_class_anal.rb +0 -112
  26. data/bin/id_precision.rb +0 -172
  27. data/bin/ms_to_lmat.rb +0 -67
  28. data/bin/pepproph_filter.rb +0 -16
  29. data/bin/prob_validate.rb +0 -6
  30. data/bin/protein_summary.rb +0 -6
  31. data/bin/protxml2prots_peps.rb +0 -32
  32. data/bin/raw_to_mzXML.rb +0 -55
  33. data/bin/run_percolator.rb +0 -122
  34. data/bin/sqt_group.rb +0 -26
  35. data/bin/srf_group.rb +0 -27
  36. data/bin/srf_to_sqt.rb +0 -40
  37. data/lib/align/chams.rb +0 -78
  38. data/lib/align.rb +0 -154
  39. data/lib/archive/targz.rb +0 -94
  40. data/lib/bsearch.rb +0 -120
  41. data/lib/core_extensions.rb +0 -16
  42. data/lib/fasta.rb +0 -626
  43. data/lib/gi.rb +0 -124
  44. data/lib/group_by.rb +0 -10
  45. data/lib/index_by.rb +0 -11
  46. data/lib/merge_deep.rb +0 -21
  47. data/lib/ms/converter/mzxml.rb +0 -77
  48. data/lib/ms/gradient_program.rb +0 -170
  49. data/lib/ms/msrun.rb +0 -244
  50. data/lib/ms/msrun_index.rb +0 -108
  51. data/lib/ms/parser/mzdata/axml.rb +0 -67
  52. data/lib/ms/parser/mzdata/dom.rb +0 -175
  53. data/lib/ms/parser/mzdata/libxml.rb +0 -7
  54. data/lib/ms/parser/mzdata.rb +0 -31
  55. data/lib/ms/parser/mzxml/axml.rb +0 -70
  56. data/lib/ms/parser/mzxml/dom.rb +0 -182
  57. data/lib/ms/parser/mzxml/hpricot.rb +0 -253
  58. data/lib/ms/parser/mzxml/libxml.rb +0 -19
  59. data/lib/ms/parser/mzxml/regexp.rb +0 -122
  60. data/lib/ms/parser/mzxml/rexml.rb +0 -72
  61. data/lib/ms/parser/mzxml/xmlparser.rb +0 -248
  62. data/lib/ms/parser/mzxml.rb +0 -282
  63. data/lib/ms/parser.rb +0 -108
  64. data/lib/ms/precursor.rb +0 -25
  65. data/lib/ms/scan.rb +0 -81
  66. data/lib/mspire.rb +0 -4
  67. data/lib/pi_zero.rb +0 -244
  68. data/lib/qvalue.rb +0 -161
  69. data/lib/roc.rb +0 -187
  70. data/lib/sample_enzyme.rb +0 -160
  71. data/lib/scan_i.rb +0 -21
  72. data/lib/spec_id/aa_freqs.rb +0 -170
  73. data/lib/spec_id/bioworks.rb +0 -497
  74. data/lib/spec_id/digestor.rb +0 -138
  75. data/lib/spec_id/mass.rb +0 -179
  76. data/lib/spec_id/parser/proph.rb +0 -335
  77. data/lib/spec_id/precision/filter/cmdline.rb +0 -218
  78. data/lib/spec_id/precision/filter/interactive.rb +0 -134
  79. data/lib/spec_id/precision/filter/output.rb +0 -148
  80. data/lib/spec_id/precision/filter.rb +0 -637
  81. data/lib/spec_id/precision/output.rb +0 -60
  82. data/lib/spec_id/precision/prob/cmdline.rb +0 -160
  83. data/lib/spec_id/precision/prob/output.rb +0 -94
  84. data/lib/spec_id/precision/prob.rb +0 -249
  85. data/lib/spec_id/proph/pep_summary.rb +0 -104
  86. data/lib/spec_id/proph/prot_summary.rb +0 -484
  87. data/lib/spec_id/proph.rb +0 -4
  88. data/lib/spec_id/protein_summary.rb +0 -489
  89. data/lib/spec_id/sequest/params.rb +0 -316
  90. data/lib/spec_id/sequest/pepxml.rb +0 -1458
  91. data/lib/spec_id/sequest.rb +0 -33
  92. data/lib/spec_id/sqt.rb +0 -349
  93. data/lib/spec_id/srf.rb +0 -973
  94. data/lib/spec_id.rb +0 -778
  95. data/lib/spec_id_xml.rb +0 -99
  96. data/lib/transmem/phobius.rb +0 -147
  97. data/lib/transmem/toppred.rb +0 -368
  98. data/lib/transmem.rb +0 -157
  99. data/lib/validator/aa.rb +0 -48
  100. data/lib/validator/aa_est.rb +0 -112
  101. data/lib/validator/background.rb +0 -77
  102. data/lib/validator/bias.rb +0 -95
  103. data/lib/validator/cmdline.rb +0 -431
  104. data/lib/validator/decoy.rb +0 -107
  105. data/lib/validator/digestion_based.rb +0 -70
  106. data/lib/validator/probability.rb +0 -51
  107. data/lib/validator/prot_from_pep.rb +0 -234
  108. data/lib/validator/q_value.rb +0 -32
  109. data/lib/validator/transmem.rb +0 -272
  110. data/lib/validator/true_pos.rb +0 -46
  111. data/lib/validator.rb +0 -197
  112. data/lib/xml.rb +0 -38
  113. data/lib/xml_style_parser.rb +0 -119
  114. data/lib/xmlparser_wrapper.rb +0 -19
  115. data/release_notes.txt +0 -2
  116. data/script/compile_and_plot_smriti_final.rb +0 -97
  117. data/script/create_little_pepxml.rb +0 -61
  118. data/script/degenerate_peptides.rb +0 -47
  119. data/script/estimate_fpr_by_cysteine.rb +0 -226
  120. data/script/extract_gradient_programs.rb +0 -56
  121. data/script/find_cysteine_background.rb +0 -137
  122. data/script/genuine_tps_and_probs.rb +0 -136
  123. data/script/get_apex_values_rexml.rb +0 -44
  124. data/script/histogram_probs.rb +0 -61
  125. data/script/mascot_fix_pepxml.rb +0 -123
  126. data/script/msvis.rb +0 -42
  127. data/script/mzXML2timeIndex.rb +0 -25
  128. data/script/peps_per_bin.rb +0 -67
  129. data/script/prep_dir.rb +0 -121
  130. data/script/simple_protein_digestion.rb +0 -27
  131. data/script/smriti_final_analysis.rb +0 -103
  132. data/script/sqt_to_meta.rb +0 -24
  133. data/script/top_hit_per_scan.rb +0 -67
  134. data/script/toppred_to_yaml.rb +0 -47
  135. data/script/tpp_installer.rb +0 -249
  136. data/specs/align_spec.rb +0 -79
  137. data/specs/bin/bioworks_to_pepxml_spec.rb +0 -79
  138. data/specs/bin/fasta_shaker_spec.rb +0 -259
  139. data/specs/bin/filter_and_validate__multiple_vals_helper.yaml +0 -199
  140. data/specs/bin/filter_and_validate_spec.rb +0 -180
  141. data/specs/bin/ms_to_lmat_spec.rb +0 -34
  142. data/specs/bin/prob_validate_spec.rb +0 -86
  143. data/specs/bin/protein_summary_spec.rb +0 -14
  144. data/specs/fasta_spec.rb +0 -354
  145. data/specs/gi_spec.rb +0 -22
  146. data/specs/load_bin_path.rb +0 -7
  147. data/specs/merge_deep_spec.rb +0 -13
  148. data/specs/ms/gradient_program_spec.rb +0 -77
  149. data/specs/ms/msrun_spec.rb +0 -498
  150. data/specs/ms/parser_spec.rb +0 -92
  151. data/specs/ms/spectrum_spec.rb +0 -87
  152. data/specs/pi_zero_spec.rb +0 -115
  153. data/specs/qvalue_spec.rb +0 -39
  154. data/specs/roc_spec.rb +0 -251
  155. data/specs/rspec_autotest.rb +0 -149
  156. data/specs/sample_enzyme_spec.rb +0 -126
  157. data/specs/spec_helper.rb +0 -135
  158. data/specs/spec_id/aa_freqs_spec.rb +0 -52
  159. data/specs/spec_id/bioworks_spec.rb +0 -148
  160. data/specs/spec_id/digestor_spec.rb +0 -75
  161. data/specs/spec_id/precision/filter/cmdline_spec.rb +0 -20
  162. data/specs/spec_id/precision/filter/output_spec.rb +0 -31
  163. data/specs/spec_id/precision/filter_spec.rb +0 -246
  164. data/specs/spec_id/precision/prob_spec.rb +0 -44
  165. data/specs/spec_id/precision/prob_spec_helper.rb +0 -0
  166. data/specs/spec_id/proph/pep_summary_spec.rb +0 -98
  167. data/specs/spec_id/proph/prot_summary_spec.rb +0 -128
  168. data/specs/spec_id/protein_summary_spec.rb +0 -189
  169. data/specs/spec_id/sequest/params_spec.rb +0 -68
  170. data/specs/spec_id/sequest/pepxml_spec.rb +0 -374
  171. data/specs/spec_id/sequest_spec.rb +0 -38
  172. data/specs/spec_id/sqt_spec.rb +0 -246
  173. data/specs/spec_id/srf_spec.rb +0 -172
  174. data/specs/spec_id/srf_spec_helper.rb +0 -139
  175. data/specs/spec_id_helper.rb +0 -33
  176. data/specs/spec_id_spec.rb +0 -366
  177. data/specs/spec_id_xml_spec.rb +0 -33
  178. data/specs/transmem/phobius_spec.rb +0 -425
  179. data/specs/transmem/toppred_spec.rb +0 -298
  180. data/specs/transmem_spec.rb +0 -60
  181. data/specs/transmem_spec_shared.rb +0 -64
  182. data/specs/validator/aa_est_spec.rb +0 -66
  183. data/specs/validator/aa_spec.rb +0 -40
  184. data/specs/validator/background_spec.rb +0 -67
  185. data/specs/validator/bias_spec.rb +0 -122
  186. data/specs/validator/decoy_spec.rb +0 -51
  187. data/specs/validator/fasta_helper.rb +0 -26
  188. data/specs/validator/prot_from_pep_spec.rb +0 -141
  189. data/specs/validator/transmem_spec.rb +0 -146
  190. data/specs/validator/true_pos_spec.rb +0 -58
  191. data/specs/validator_helper.rb +0 -33
  192. data/specs/xml_spec.rb +0 -12
  193. data/test_files/000_pepxml18_small.xml +0 -206
  194. data/test_files/020a.mzXML.timeIndex +0 -4710
  195. data/test_files/4-03-03_mzXML/000.mzXML.timeIndex +0 -3973
  196. data/test_files/4-03-03_mzXML/020.mzXML.timeIndex +0 -3872
  197. data/test_files/4-03-03_small-prot.xml +0 -321
  198. data/test_files/4-03-03_small.xml +0 -3876
  199. data/test_files/7MIX_STD_110802_1.sequest_params_fragment.srf +0 -0
  200. data/test_files/bioworks-3.3_10prots.xml +0 -5999
  201. data/test_files/bioworks31.params +0 -77
  202. data/test_files/bioworks32.params +0 -62
  203. data/test_files/bioworks33.params +0 -63
  204. data/test_files/bioworks_single_run_small.xml +0 -7237
  205. data/test_files/bioworks_small.fasta +0 -212
  206. data/test_files/bioworks_small.params +0 -63
  207. data/test_files/bioworks_small.phobius +0 -109
  208. data/test_files/bioworks_small.toppred.out +0 -2847
  209. data/test_files/bioworks_small.xml +0 -5610
  210. data/test_files/bioworks_with_INV_small.xml +0 -3753
  211. data/test_files/bioworks_with_SHUFF_small.xml +0 -2503
  212. data/test_files/corrupted_900.srf +0 -0
  213. data/test_files/head_of_7MIX.srf +0 -0
  214. data/test_files/interact-opd1_mods_small-prot.xml +0 -304
  215. data/test_files/messups.fasta +0 -297
  216. data/test_files/opd1/000.my_answer.100lines.xml +0 -101
  217. data/test_files/opd1/000.tpp_1.2.3.first10.xml +0 -115
  218. data/test_files/opd1/000.tpp_2.9.2.first10.xml +0 -126
  219. data/test_files/opd1/000.v2.1.mzXML.timeIndex +0 -3748
  220. data/test_files/opd1/000_020-prot.png +0 -0
  221. data/test_files/opd1/000_020_3prots-prot.mod_initprob.xml +0 -62
  222. data/test_files/opd1/000_020_3prots-prot.xml +0 -62
  223. data/test_files/opd1/opd1_cat_inv_small-prot.xml +0 -139
  224. data/test_files/opd1/sequest.3.1.params +0 -77
  225. data/test_files/opd1/sequest.3.2.params +0 -62
  226. data/test_files/opd1/twenty_scans.mzXML +0 -418
  227. data/test_files/opd1/twenty_scans.v2.1.mzXML +0 -382
  228. data/test_files/opd1/twenty_scans_answ.lmat +0 -0
  229. data/test_files/opd1/twenty_scans_answ.lmata +0 -9
  230. data/test_files/opd1_020_beginning.RAW +0 -0
  231. data/test_files/opd1_2runs_2mods/data/020.mzData.xml +0 -683
  232. data/test_files/opd1_2runs_2mods/data/020.readw.mzXML +0 -382
  233. data/test_files/opd1_2runs_2mods/data/040.mzData.xml +0 -683
  234. data/test_files/opd1_2runs_2mods/data/040.readw.mzXML +0 -382
  235. data/test_files/opd1_2runs_2mods/data/README.txt +0 -6
  236. data/test_files/opd1_2runs_2mods/interact-opd1_mods__small.xml +0 -753
  237. data/test_files/orbitrap_mzData/000_cut.xml +0 -1920
  238. data/test_files/pepproph_small.xml +0 -4691
  239. data/test_files/phobius.small.noheader.txt +0 -50
  240. data/test_files/phobius.small.small.txt +0 -53
  241. data/test_files/s01_anC1_ld020mM.key.txt +0 -25
  242. data/test_files/s01_anC1_ld020mM.meth +0 -0
  243. data/test_files/small.fasta +0 -297
  244. data/test_files/small.sqt +0 -87
  245. data/test_files/smallraw.RAW +0 -0
  246. data/test_files/tf_bioworks2excel.bioXML +0 -14340
  247. data/test_files/tf_bioworks2excel.txt.actual +0 -1035
  248. data/test_files/toppred.small.out +0 -416
  249. data/test_files/toppred.xml.out +0 -318
  250. data/test_files/validator_hits_separate/bias_bioworks_small_HS.fasta +0 -7
  251. data/test_files/validator_hits_separate/bioworks_small_HS.xml +0 -5651
  252. data/test_files/yeast_gly_small-prot.xml +0 -265
  253. data/test_files/yeast_gly_small.1.0_1.0_1.0.parentTimes +0 -6
  254. data/test_files/yeast_gly_small.xml +0 -3807
  255. data/test_files/yeast_gly_small2.parentTimes +0 -6
data/test_files/opd1_2runs_2mods/data/040.readw.mzXML DELETED
@@ -1,382 +0,0 @@
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- <?xml version="1.0" encoding="ISO-8859-1"?>
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- <mzXML
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- xmlns="http://sashimi.sourceforge.net/schema_revision/mzXML_2.0"
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- xmlns:xsi="http://www.w3.org/2001/XMLSchema-instance"
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- xsi:schemaLocation="http://sashimi.sourceforge.net/schema_revision/mzXML_2.0 http://sashimi.sourceforge.net/schema_revision/mzXML_2.0/mzXML_idx_2.0.xsd">
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- <msRun scanCount="20"
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- startTime="PT0.00266667S"
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- endTime="PT28.86S">
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- <parentFile fileName="file://040.RAW"
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- fileType="RAWData"
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- fileSha1="b7a3d5361f87046e4c557fa6a1b2179123d00a06"/>
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- <msInstrument>
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- <msManufacturer category="msManufacturer" value="ThermoFinnigan"/>
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- <msModel category="msModel" value="LCQ Deca XP"/>
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- <msIonisation category="msIonisation" value="ESI"/>
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- <msMassAnalyzer category="msMassAnalyzer" value="Ion Trap"/>
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- <msDetector category="msDetector" value="EMT"/>
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- <software type="acquisition"
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- name="Xcalibur"
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- version="1.3 SP 1"/>
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- </msInstrument>
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- <dataProcessing centroided="1">
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- <software type="conversion"
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- name="readw.exe"
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- version="1.1"/>
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- </dataProcessing>
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- <scan num="1"
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- msLevel="1"
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- peaksCount="667"
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- polarity="+"
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- scanType="ms"
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- retentionTime="PT0.16S"
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- lowMz="300.144"
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- highMz="1493.72"
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- basePeakMz="390.902"
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- basePeakIntensity="6.09196e+006"
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- totIonCurrent="8.53454e+007">
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- <peaks precision="32"
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- byteOrder="network"
40
- 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91
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92
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- <scan num="5"
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- msLevel="1"
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- peaksCount="533"
96
- polarity="+"
97
- scanType="ms"
98
- retentionTime="PT5.7S"
99
- lowMz="300.823"
100
- highMz="1489.8"
101
- basePeakMz="390.953"
102
- basePeakIntensity="9.00864e+006"
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- totIonCurrent="8.40929e+007">
104
- <peaks precision="32"
105
- byteOrder="network"
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149
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157
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158
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159
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160
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161
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162
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163
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164
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165
- lowMz="300.392"
166
- highMz="1498.12"
167
- basePeakMz="391.044"
168
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170
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171
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182
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183
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184
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185
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186
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189
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195
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196
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197
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198
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199
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200
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201
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203
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206
- </scan>
207
- <scan num="12"
208
- msLevel="2"
209
- peaksCount="78"
210
- polarity="+"
211
- scanType="Full"
212
- retentionTime="PT16.02S"
213
- collisionEnergy="0"
214
- lowMz="422.191"
215
- highMz="1324.08"
216
- basePeakMz="1189.93"
217
- basePeakIntensity="385568"
218
- totIonCurrent="1.59692e+006">
219
- <precursorMz precursorIntensity="629504">1321.930176</precursorMz>
220
- <peaks precision="32"
221
- byteOrder="network"
222
- pairOrder="m/z-int">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</peaks>
223
- </scan>
224
- </scan>
225
- <scan num="13"
226
- msLevel="1"
227
- peaksCount="714"
228
- polarity="+"
229
- scanType="ms"
230
- retentionTime="PT17.76S"
231
- lowMz="300.15"
232
- highMz="1499.01"
233
- basePeakMz="391"
234
- basePeakIntensity="1.10284e+007"
235
- totIonCurrent="1.05758e+008">
236
- <peaks precision="32"
237
- byteOrder="network"
238
- pairOrder="m/z-int">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</peaks>
239
- <scan num="14"
240
- msLevel="2"
241
- peaksCount="94"
242
- polarity="+"
243
- scanType="Full"
244
- retentionTime="PT19.11S"
245
- collisionEnergy="0"
246
- lowMz="136.066"
247
- highMz="510.154"
248
- basePeakMz="428.919"
249
- basePeakIntensity="933436"
250
- totIonCurrent="2.62298e+006">
251
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252
- <peaks precision="32"
253
- byteOrder="network"
254
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255
- </scan>
256
- <scan num="15"
257
- msLevel="2"
258
- peaksCount="103"
259
- polarity="+"
260
- scanType="Full"
261
- retentionTime="PT20.66S"
262
- collisionEnergy="0"
263
- lowMz="100.768"
264
- highMz="411.812"
265
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266
- basePeakIntensity="131103"
267
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268
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269
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270
- byteOrder="network"
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272
- </scan>
273
- <scan num="16"
274
- msLevel="2"
275
- peaksCount="67"
276
- polarity="+"
277
- scanType="Full"
278
- retentionTime="PT22.15S"
279
- collisionEnergy="0"
280
- lowMz="441.852"
281
- highMz="1322.03"
282
- basePeakMz="1189.99"
283
- basePeakIntensity="341189"
284
- totIonCurrent="1.62749e+006">
285
- <precursorMz precursorIntensity="851923">1321.946777</precursorMz>
286
- <peaks precision="32"
287
- byteOrder="network"
288
- pairOrder="m/z-int">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</peaks>
289
- </scan>
290
- </scan>
291
- <scan num="17"
292
- msLevel="1"
293
- peaksCount="767"
294
- polarity="+"
295
- scanType="ms"
296
- retentionTime="PT23.73S"
297
- lowMz="300.907"
298
- highMz="1498.59"
299
- basePeakMz="390.952"
300
- basePeakIntensity="3.97874e+006"
301
- totIonCurrent="9.34051e+007">
302
- <peaks precision="32"
303
- byteOrder="network"
304
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pairOrder="m/z-int">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</peaks>
305
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- msLevel="2"
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- retentionTime="PT25.05S"
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318
- <peaks precision="32"
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- byteOrder="network"
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321
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322
- <scan num="19"
323
- msLevel="2"
324
- peaksCount="85"
325
- polarity="+"
326
- scanType="Full"
327
- retentionTime="PT26.93S"
328
- collisionEnergy="0"
329
- lowMz="339.98"
330
- highMz="1123.78"
331
- basePeakMz="990.038"
332
- basePeakIntensity="531036"
333
- totIonCurrent="1.76827e+006">
334
- <precursorMz precursorIntensity="541657">1123.434814</precursorMz>
335
- <peaks precision="32"
336
- byteOrder="network"
337
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338
- </scan>
339
- <scan num="20"
340
- msLevel="2"
341
- peaksCount="92"
342
- polarity="+"
343
- scanType="Full"
344
- retentionTime="PT28.86S"
345
- collisionEnergy="0"
346
- lowMz="151.082"
347
- highMz="819.778"
348
- basePeakMz="428.887"
349
- basePeakIntensity="824269"
350
- totIonCurrent="2.32319e+006">
351
- <precursorMz precursorIntensity="521276">444.8203125</precursorMz>
352
- <peaks precision="32"
353
- byteOrder="network"
354
- pairOrder="m/z-int">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</peaks>
355
- </scan>
356
- </scan>
357
- </msRun>
358
- <index name="scan">
359
- <offset id="1">1149</offset>
360
- <offset id="2">8648</offset>
361
- <offset id="3">9609</offset>
362
- <offset id="4">11001</offset>
363
- <offset id="5">12243</offset>
364
- <offset id="6">18312</offset>
365
- <offset id="7">19271</offset>
366
- <offset id="8">19834</offset>
367
- <offset id="9">21391</offset>
368
- <offset id="10">29831</offset>
369
- <offset id="11">31129</offset>
370
- <offset id="12">32798</offset>
371
- <offset id="13">34133</offset>
372
- <offset id="14">42129</offset>
373
- <offset id="15">43631</offset>
374
- <offset id="16">45217</offset>
375
- <offset id="17">46436</offset>
376
- <offset id="18">55005</offset>
377
- <offset id="19">55969</offset>
378
- <offset id="20">57368</offset>
379
- </index>
380
- <indexOffset>13321529</indexOffset>
381
- <sha1>f18b190ad6aab59ad210af37397c9072d2383d63</sha1>
382
- </mzXML>
data/test_files/opd1_2runs_2mods/data/README.txt DELETED
@@ -1,6 +0,0 @@
1
- Some tags associated with the mzXML format are off because of the way we've modified the file to have only 20 scans!
2
-
3
- !!!! These are wrong!!!!
4
- <indexOffset>13623066</indexOffset>
5
- <sha1>f7c9ccdd385f0cfc124cc6d0ca3e2bb36e4a9090</sha1>
6
-