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view test-data/historic_input.msp @ 2:856b3761277d draft

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"planemo upload for repository https://github.com/computational-metabolomics/sirius_csifingerid_galaxy commit 3e3dee9a853b6133cf089b3c063f53c52b39463d"
author computational-metabolomics
date Thu, 02 Jul 2020 11:01:45 -0400
parents 9e6bf7278257
children
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NAME: 1
PRECURSORMZ: 70.0658950805664
Comment:
Num Peaks: 8
50.4781379699707	3487.4296875
51.0193099975586	3390.96948242188
53.0031509399414	10011.958984375
53.5898513793945	4252.7880859375
54.3787727355957	3541.5107421875
69.0455169677734	9650.0107421875
70.0660934448242	37168.609375
82.9910659790039	4077.36694335938

NAME: 2
PRECURSORMZ: 72.0815277099609
Comment:
Num Peaks: 6
51.773567199707	818.313903808594
54.0346794128418	1247.91137695312
54.6847991943359	967.616882324219
56.050350189209	1780.01037597656
58.4994125366211	975.196228027344
72.0814056396484	1660.50390625

NAME: 5
PRECURSORMZ: 76.0400390625
Comment:
Num Peaks: 4
53.2376174926758	3224.35571289062
60.3291244506836	3193.19482421875
73.7529830932617	3305.61401367188
82.5309600830078	2965.41772460938

NAME: 9
PRECURSORMZ: 79.0218811035156
Comment:
Num Peaks: 5
59.1125831604004	67799.1953125
59.9673652648926	345613.1875
62.9906845092773	117693.296875
63.9986686706543	1585970.25
80.5974655151367	66719.4609375

NAME: 11
PRECURSORMZ: 79.9903564453125
Comment:
Num Peaks: 3
51.6917915344238	584.212829589844
53.0398750305176	649.807922363281
97.3154754638672	596.341003417969

NAME: 19
PRECURSORMZ: 86.0606536865234
Comment:
Num Peaks: 5
53.0031509399414	29580.330078125
55.3490409851074	4989.64990234375
61.990592956543	4089.9619140625
63.2290992736816	4168.97412109375
67.6647109985352	5392.48779296875