annotate test-data/file02.msp @ 28:be54f396ecfe draft default tip

planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit 1800a3818988f21ef129e500818c9a087fce5875
author tomnl
date Wed, 18 Jul 2018 05:47:49 -0400
parents 0d59d313d3f8
children
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
27
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
1 NAME: 9-1-212
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
2 PRECURSORMZ: 79.0218887329102
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
3 Comment:
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
4 Num Peaks: 12
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
5 53.1700401306152 2441.47143554688
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
6 55.1893730163574 2006.07958984375
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
7 58.9013671875 2539.39086914062
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
8 59.9673500061035 13423.1376953125
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
9 61.0115776062012 4831.0986328125
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
10 62.9908828735352 3668.52905273438
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
11 63.9986190795898 54386.6640625
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
12 73.8388671875 2330.30126953125
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
13 78.5768051147461 2563.25
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
14 79.0221328735352 2581.44604492188
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
15 96.8009872436523 2530.70141601562
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
16 99.6652908325195 2961.3095703125
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
17
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
18 NAME: 11-1-1284
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
19 PRECURSORMZ: 79.9903564453125
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
20 Comment:
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
21 Num Peaks: 3
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
22 51.6917915344238 584.212829589844
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
23 53.0398750305176 649.807922363281
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
24 97.3154754638672 596.341003417969
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
25
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
26 NAME: 19-1-1497
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
27 PRECURSORMZ: 86.060661315918
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
28 Comment:
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
29 Num Peaks: 4
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
30 53.0031318664551 9658.7939453125
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
31 53.1939277648926 1998.81518554688
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
32 80.3447494506836 2044.23645019531
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
33 101.307479858398 2181.85522460938
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
34
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
35 NAME: 19-1-1498
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
36 PRECURSORMZ: 86.0606307983398
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
37 Comment:
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
38 Num Peaks: 11
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
39 52.6782836914062 1061.12646484375
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
40 53.0032196044922 15176.8583984375
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
41 53.1121788024902 1193.6044921875
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
42 53.9984169006348 2790.28930664062
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
43 54.0287094116211 999.250427246094
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
44 56.7024726867676 1171.42797851562
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
45 69.0346069335938 1878.03894042969
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
46 72.9083633422852 1256.455078125
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
47 74.0740356445312 1324.07055664062
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
48 80.5324630737305 1329.61022949219
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
49 91.0167770385742 1362.0029296875
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
50
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
51 NAME: 19-1-1500
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
52 PRECURSORMZ: 86.0606536865234
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
53 Comment:
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
54 Num Peaks: 5
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
55 53.0031509399414 29580.330078125
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
56 55.3490409851074 4989.64990234375
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
57 61.990592956543 4089.9619140625
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
58 63.2290992736816 4168.97412109375
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
59 67.6647109985352 5392.48779296875
0d59d313d3f8 planemo upload for repository https://github.com/computational-metabolomics/mspurity-galaxy commit a598583947118bd50cfe5ae12d955c20d6e502a6
tomnl
parents:
diff changeset
60