Mercurial > repos > tomnl > anticipated_purity_lcms

annotate test-data/input.msp @ 9:5969d72028f3 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 0aa10df0ec1ed71601f932cfb11d7d4d4f620d80-dirty
author tomnl
date Wed, 02 May 2018 14:13:46 -0400
parents 079bdef733e8
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
6
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
1 NAME: 1-1-1483
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
2 PRECURSORMZ: 70.0658950805664
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
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3 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
4 Num Peaks: 8
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
5 50.4781379699707 3487.4296875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
6 51.0193099975586 3390.96948242188
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
7 53.0031509399414 10011.958984375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
8 53.5898513793945 4252.7880859375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
9 54.3787727355957 3541.5107421875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
10 69.0455169677734 9650.0107421875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
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11 70.0660934448242 37168.609375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
12 82.9910659790039 4077.36694335938
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
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13
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
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14 NAME: 2-1-1823
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
15 PRECURSORMZ: 72.0815277099609
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
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16 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
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17 Num Peaks: 6
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
18 51.773567199707 818.313903808594
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
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19 54.0346794128418 1247.91137695312
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
20 54.6847991943359 967.616882324219
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
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21 56.050350189209 1780.01037597656
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
22 58.4994125366211 975.196228027344
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
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23 72.0814056396484 1660.50390625
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
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24
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
25 NAME: 2-1-1857
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
26 PRECURSORMZ: 72.08154296875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
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27 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
28 Num Peaks: 4
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
29 56.0504341125488 1838.78173828125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
30 59.9103507995605 701.556762695312
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
31 63.7723731994629 650.224975585938
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
32 72.0814590454102 760.228637695312
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
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33
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
34 NAME: 5-1-1606
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
35 PRECURSORMZ: 76.0400390625
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
36 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
37 Num Peaks: 4
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
38 53.2376174926758 3224.35571289062
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
39 60.3291244506836 3193.19482421875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
40 73.7529830932617 3305.61401367188
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
41 82.5309600830078 2965.41772460938
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
42
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
43 NAME: 9-1-177
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
44 PRECURSORMZ: 79.0218658447266
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
45 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
46 Num Peaks: 7
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
47 53.6282501220703 15316.7431640625
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
48 59.967342376709 251727.734375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
49 61.0115814208984 80113.8046875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
50 62.9908714294434 93065.1015625
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
51 63.9986305236816 950876.9375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
52 79.0219345092773 33032.984375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
53 95.4936447143555 13826.033203125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
54
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
55 NAME: 9-1-184
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
56 PRECURSORMZ: 79.0218811035156
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
57 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
58 Num Peaks: 5
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
59 59.1125831604004 67799.1953125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
60 59.9673652648926 345613.1875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
61 62.9906845092773 117693.296875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
62 63.9986686706543 1585970.25
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
63 80.5974655151367 66719.4609375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
64
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
65 NAME: 9-1-212
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
66 PRECURSORMZ: 79.0218887329102
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
67 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
68 Num Peaks: 12
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
69 53.1700401306152 2441.47143554688
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
70 55.1893730163574 2006.07958984375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
71 58.9013671875 2539.39086914062
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
72 59.9673500061035 13423.1376953125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
73 61.0115776062012 4831.0986328125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
74 62.9908828735352 3668.52905273438
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
75 63.9986190795898 54386.6640625
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
76 73.8388671875 2330.30126953125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
77 78.5768051147461 2563.25
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
78 79.0221328735352 2581.44604492188
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
79 96.8009872436523 2530.70141601562
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
80 99.6652908325195 2961.3095703125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
81
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
82 NAME: 11-1-1284
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
83 PRECURSORMZ: 79.9903564453125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
84 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
85 Num Peaks: 3
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
86 51.6917915344238 584.212829589844
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
87 53.0398750305176 649.807922363281
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
88 97.3154754638672 596.341003417969
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
89
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
90 NAME: 19-1-1497
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
91 PRECURSORMZ: 86.060661315918
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
92 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
93 Num Peaks: 4
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
94 53.0031318664551 9658.7939453125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
95 53.1939277648926 1998.81518554688
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
96 80.3447494506836 2044.23645019531
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
97 101.307479858398 2181.85522460938
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
98
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
99 NAME: 19-1-1498
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
100 PRECURSORMZ: 86.0606307983398
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
101 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
102 Num Peaks: 11
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
103 52.6782836914062 1061.12646484375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
104 53.0032196044922 15176.8583984375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
105 53.1121788024902 1193.6044921875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
106 53.9984169006348 2790.28930664062
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
107 54.0287094116211 999.250427246094
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
108 56.7024726867676 1171.42797851562
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
109 69.0346069335938 1878.03894042969
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
110 72.9083633422852 1256.455078125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
111 74.0740356445312 1324.07055664062
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
112 80.5324630737305 1329.61022949219
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
113 91.0167770385742 1362.0029296875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
114
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
115 NAME: 19-1-1500
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
116 PRECURSORMZ: 86.0606536865234
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
117 Comment:
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
118 Num Peaks: 5
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
119 53.0031509399414 29580.330078125
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
120 55.3490409851074 4989.64990234375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
121 61.990592956543 4089.9619140625
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
122 63.2290992736816 4168.97412109375
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
123 67.6647109985352 5392.48779296875
079bdef733e8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit afee93a926072b534bb3541e1524f1ad6a7decb9
tomnl
parents:
diff changeset
124