ms-msrun 0.1.0 → 0.2.0
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- data/.gitignore +3 -0
- data/.gitmodules +3 -0
- data/History +18 -0
- data/{README → README.rdoc} +0 -0
- data/Rakefile +93 -107
- data/VERSION +1 -0
- data/lib/lmat.rb +141 -39
- data/lib/ms/msrun/nokogiri.rb +1 -0
- data/lib/ms/msrun/search_dev_notes.txt +47 -0
- data/spec/lmat_spec.rb +87 -11
- data/spec/metadata/opd1/000.v1.mzXML.yml +3 -0
- data/spec/metadata/opd1/000.v2.1.mzXML.yml +3 -0
- data/spec/metadata/opd1/020.mzData.xml.yml +3 -0
- data/spec/metadata/opd1/020.v2.0.readw.mzXML.yml +3 -0
- data/spec/ms/msrun/hpricot.rb +38 -0
- data/spec/ms/msrun/index_spec.rb +12 -13
- data/spec/ms/msrun/search_spec.rb +5 -4
- data/spec/ms/msrun/sha1_spec.rb +3 -6
- data/spec/ms/msrun/test_parsing_xml_frags/parse_test.rb +25 -0
- data/spec/ms/msrun/test_parsing_xml_frags/test1.xml +5 -0
- data/spec/ms/msrun/test_parsing_xml_frags/test2.xml +6 -0
- data/spec/ms/msrun/test_parsing_xml_frags/test3.xml +4 -0
- data/spec/ms/msrun/test_parsing_xml_frags/test4.xml +11 -0
- data/spec/ms/msrun/test_parsing_xml_frags/test_failures.rb +47 -0
- data/spec/ms/msrun_bm.rb +22 -0
- data/spec/ms/msrun_spec.rb +90 -109
- data/spec/ms/scan_spec.rb +5 -6
- data/spec/ms/spectrum/compare_spec.rb +31 -28
- data/spec/ms/spectrum/filter_spec.rb +15 -13
- data/spec/spec_helper.rb +21 -0
- data/spec/testfiles/lmat/tmp1.lmat +0 -0
- data/spec/testfiles/lmat/tmp1.lmata +44 -0
- data/spec/testfiles/lmat/tmp2.lmata +11 -0
- data/spec/testfiles/opd1/000.v1.mzXML +418 -0
- data/spec/testfiles/opd1/000.v1.mzXML.key.yml +51 -0
- data/spec/testfiles/opd1/000.v2.1.mzXML +382 -0
- data/spec/testfiles/opd1/000.v2.1.mzXML.key.yml +51 -0
- data/spec/testfiles/opd1/020.mzData.xml +683 -0
- data/spec/testfiles/opd1/020.mzData.xml.key.yml +43 -0
- data/spec/testfiles/opd1/020.v2.0.readw.mzXML +382 -0
- data/spec/testfiles/opd1/020.v2.0.readw.mzXML.key.yml +46 -0
- metadata +85 -34
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@@ -0,0 +1,51 @@
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header:
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version: '1.0'
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scan_count: 20
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start_time: 0.44
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end_time: 27.05
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parent_basename: 000.mzXML
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parent_location:
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parent_basename_noext: '000'
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scan_count:
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0: 20
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1: 5
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2: 15
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start_and_end_mz:
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1: [300.0, 1500.0]
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2: [95.0, 1955]
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scan_num_to_prec_mz:
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0:
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1:
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2: 390.9291992
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20
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3: 1121.944824
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4: 1321.913574
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17:
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18: 308.795959
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19: 444.983337
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20: 361.671875
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scans:
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27
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1:
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num: 1
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ms_level: 1
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time: 0.44
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precursor:
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num_peaks: 992
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tic: 130127006.0
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2:
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num: 2
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ms_level: 2
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time: 1.9
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num_peaks: 56
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tic: 9755125.0
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precursor:
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mz: 391.045410
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intensity: 6986078.0
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20:
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44
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num: 20
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45
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ms_level: 2
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46
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time: 27.05
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47
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num_peaks: 78
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48
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tic: 1053700.0
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precursor:
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50
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mz: 1422.2771
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intensity: 709884.0
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@@ -0,0 +1,382 @@
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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_2.1"
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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_2.1 http://sashimi.sourceforge.net/schema_revision/mzXML_2.1/mzXML_idx_2.1.xsd">
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<msRun scanCount="20"
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startTime="PT0.44S"
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endTime="PT27.05S">
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<parentFile fileName="file://w/000.RAW"
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fileType="RAWData"
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fileSha1="6554a4da76a6315a6ab2aef249ec03e4d7510cd9"/>
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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="Thermo2mzXML"
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version="1"/>
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</dataProcessing>
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<scan num="1"
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msLevel="1"
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peaksCount="992"
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polarity="+"
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scanType="ms"
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retentionTime="PT0.44S"
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lowMz="300"
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highMz="1500"
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basePeakMz="391.045"
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basePeakIntensity="6.98608e+006"
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totIonCurrent="1.30127e+008">
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<peaks precision="32"
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byteOrder="network"
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+
pairOrder="m/z-int">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</peaks>
|
|
41
|
+
<scan num="2"
|
|
42
|
+
msLevel="2"
|
|
43
|
+
peaksCount="56"
|
|
44
|
+
polarity="+"
|
|
45
|
+
scanType="Full"
|
|
46
|
+
retentionTime="PT1.9S"
|
|
47
|
+
collisionEnergy="35"
|
|
48
|
+
lowMz="95"
|
|
49
|
+
highMz="795"
|
|
50
|
+
basePeakMz="149.05"
|
|
51
|
+
basePeakIntensity="2.85238e+006"
|
|
52
|
+
totIonCurrent="9.75513e+006">
|
|
53
|
+
<precursorMz precursorIntensity="6.98608e+006">391.0454102</precursorMz>
|
|
54
|
+
<peaks precision="32"
|
|
55
|
+
byteOrder="network"
|
|
56
|
+
pairOrder="m/z-int">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</peaks>
|
|
57
|
+
</scan>
|
|
58
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64
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70
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71
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74
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78
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79
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80
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82
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83
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87
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91
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92
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93
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94
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|
95
|
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peaksCount="814"
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96
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polarity="+"
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97
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scanType="ms"
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|
98
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retentionTime="PT5.15S"
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|
99
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lowMz="300"
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100
|
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highMz="1500"
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|
101
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basePeakMz="390.947"
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102
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basePeakIntensity="6.19113e+006"
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103
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totIonCurrent="1.26119e+008">
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104
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105
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byteOrder="network"
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106
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</peaks>
|
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<scan num="13"
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226
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msLevel="1"
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peaksCount="849"
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polarity="+"
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229
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scanType="ms"
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retentionTime="PT16.4S"
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lowMz="300"
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232
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basePeakMz="390.947"
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basePeakIntensity="4.59529e+006"
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totIonCurrent="1.36028e+008">
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239
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<scan num="14"
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240
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msLevel="2"
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241
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peaksCount="79"
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242
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polarity="+"
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243
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scanType="Full"
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retentionTime="PT17.77S"
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245
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collisionEnergy="35"
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246
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lowMz="110"
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247
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highMz="905"
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248
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basePeakMz="428.813"
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249
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basePeakIntensity="2.60638e+006"
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250
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totIonCurrent="9.58131e+006">
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251
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<precursorMz precursorIntensity="1.47239e+006">446.7960815</precursorMz>
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252
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<peaks precision="32"
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253
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byteOrder="network"
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254
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