Mercurial > repos > recetox > matchms_split

comparison test-data/split/one-per-file/3.msp @ 23:6864944b00fd draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author recetox
date Mon, 30 Jun 2025 13:02:23 +0000
parents 114617e6ad33
children
comparison
equal deleted inserted replaced
22:ea6c5636c0cf 23:6864944b00fd
20 IONIZATION_MODE: positive 20 IONIZATION_MODE: positive
21 LAST_AUTO-CURATION: 1495210335825 21 LAST_AUTO-CURATION: 1495210335825
22 MOLECULAR_FORMULA: C6H4Cl2O 22 MOLECULAR_FORMULA: C6H4Cl2O
23 TOTAL_EXACT_MASS: 161.963920108 23 TOTAL_EXACT_MASS: 161.963920108
24 NUM PEAKS: 44 24 NUM PEAKS: 44
25 51.0 5.05 25 51.0 5.05
26 52.0 2.29 26 52.0 2.29
27 53.0 22.87 27 53.0 22.87
28 59.0 3.69 28 59.0 3.69
29 60.0 16.58 29 60.0 16.58
30 61.0 33.26 30 61.0 33.26
31 62.0 62.1 31 62.0 62.1
32 63.0 99.99 32 63.0 99.99
33 64.0 11.61 33 64.0 11.61
34 65.0 2.73 34 65.0 2.73
35 66.0 4.11 35 66.0 4.11
36 71.0 2.98 36 71.0 2.98
37 72.0 12.03 37 72.0 12.03
38 73.0 32.28 38 73.0 32.28
39 74.0 12.69 39 74.0 12.69
40 75.0 11.42 40 75.0 11.42
41 81.0 6.65 41 81.0 6.65
42 82.0 4.64 42 82.0 4.64
43 83.0 3.82 43 83.0 3.82
44 84.0 3.02 44 84.0 3.02
45 85.0 2.81 45 85.0 2.81
46 87.0 2.86 46 87.0 2.86
47 89.0 2.17 47 89.0 2.17
48 90.0 2.05 48 90.0 2.05
49 91.0 6.28 49 91.0 6.28
50 96.0 3.57 50 96.0 3.57
51 97.0 15.64 51 97.0 15.64
52 98.0 39.0 52 98.0 39.0
53 99.0 33.72 53 99.0 33.72
54 100.0 13.84 54 100.0 13.84
55 101.0 10.87 55 101.0 10.87
56 126.0 9.01 56 126.0 9.01
57 127.0 3.11 57 127.0 3.11
58 128.0 3.25 58 128.0 3.25
59 133.0 6.28 59 133.0 6.28
60 134.0 4.28 60 134.0 4.28
61 135.0 4.21 61 135.0 4.21
62 136.0 2.59 62 136.0 2.59
63 161.0 11.74 63 161.0 11.74
64 162.0 89.04 64 162.0 89.04
65 163.0 12.37 65 163.0 12.37
66 164.0 52.89 66 164.0 52.89
67 165.0 4.62 67 165.0 4.62
68 166.0 8.78 68 166.0 8.78
69 69