comparison test-data/out_matchms_remove_key.msp @ 20:d888a64f7c2a draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
author recetox
date Mon, 04 Dec 2023 19:14:30 +0000
parents
children
comparison
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19:f7718efde4d5 20:d888a64f7c2a
1 NAME:C001
2 RETENTIONTIME:38.74
3 RETENTIONINDEX: -1
4 SPECTRUMTYPE:Centroid
5 Num Peaks:57
6 216.9205 32607700
7 256.8215 31377637
8 175.0641 26780143
9 206.9034 26130980
10 254.8252 23747536
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63
64 NAME:C002
65 RETENTIONTIME:520.25
66 RETENTIONINDEX: 1234.5
67 SPECTRUMTYPE:Centroid
68 Num Peaks:35
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73 551.3321 111616808
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102 131.1733 1971789
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104
105 NAME:C003
106 RETENTIONTIME:483.67
107 SPECTRUMTYPE:Centroid
108 Num Peaks:26
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130 625.4543 4040374
131 379.1966 2902366
132 577.3074 2354251
133 617.2778 2323470
134 266.2564 1420444
135
136 NAME:C004
137 RETENTIONTIME:473.48
138 SPECTRUMTYPE:Centroid
139 Num Peaks:24
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141 497.3442 3337125302
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163 170.2437 1237313
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165 NAME:C005
166 RETENTIONTIME:41.72
167 SPECTRUMTYPE:Centroid
168 Num Peaks:20
169 337.0623 88672453
170 359.0443 48435582
171 353.0361 37061354
172 375.018 29159485
173 218.1386 14009249
174 417.0027 13822994
175 381.0261 13522755
176 438.9851 11307111
177 396.9999 10317665
178 454.9592 9820452
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185 470.9263 3632486
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187 440.9796 3364168
188 376.0216 2740193