Mercurial > repos > computational-metabolomics > sirius_csifingerid

comparison test-data/historic_input.msp @ 0:9e6bf7278257 draft

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"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 1d1b37a070f895c94069819237199c768da27258"
author computational-metabolomics
date Wed, 05 Feb 2020 10:41:48 -0500
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comparison
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-1:000000000000 0:9e6bf7278257
1 NAME: 1
2 PRECURSORMZ: 70.0658950805664
3 Comment:
4 Num Peaks: 8
5 50.4781379699707 3487.4296875
6 51.0193099975586 3390.96948242188
7 53.0031509399414 10011.958984375
8 53.5898513793945 4252.7880859375
9 54.3787727355957 3541.5107421875
10 69.0455169677734 9650.0107421875
11 70.0660934448242 37168.609375
12 82.9910659790039 4077.36694335938
13
14 NAME: 2
15 PRECURSORMZ: 72.0815277099609
16 Comment:
17 Num Peaks: 6
18 51.773567199707 818.313903808594
19 54.0346794128418 1247.91137695312
20 54.6847991943359 967.616882324219
21 56.050350189209 1780.01037597656
22 58.4994125366211 975.196228027344
23 72.0814056396484 1660.50390625
24
25 NAME: 5
26 PRECURSORMZ: 76.0400390625
27 Comment:
28 Num Peaks: 4
29 53.2376174926758 3224.35571289062
30 60.3291244506836 3193.19482421875
31 73.7529830932617 3305.61401367188
32 82.5309600830078 2965.41772460938
33
34 NAME: 9
35 PRECURSORMZ: 79.0218811035156
36 Comment:
37 Num Peaks: 5
38 59.1125831604004 67799.1953125
39 59.9673652648926 345613.1875
40 62.9906845092773 117693.296875
41 63.9986686706543 1585970.25
42 80.5974655151367 66719.4609375
43
44 NAME: 11
45 PRECURSORMZ: 79.9903564453125
46 Comment:
47 Num Peaks: 3
48 51.6917915344238 584.212829589844
49 53.0398750305176 649.807922363281
50 97.3154754638672 596.341003417969
51
52 NAME: 19
53 PRECURSORMZ: 86.0606536865234
54 Comment:
55 Num Peaks: 5
56 53.0031509399414 29580.330078125
57 55.3490409851074 4989.64990234375
58 61.990592956543 4089.9619140625
59 63.2290992736816 4168.97412109375
60 67.6647109985352 5392.48779296875
61