comparison test-data/split/one-per-file/8.msp @ 17:e23c14cee5a9 draft default tip

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit bd80a813fb2f01f22eed0c874f8911ce4d00762a
author recetox
date Mon, 30 Jun 2025 13:03:32 +0000
parents 99ad7552fb10
children
comparison
equal deleted inserted replaced
16:1fd950c5586a 17:e23c14cee5a9
20 IONIZATION_MODE: positive 20 IONIZATION_MODE: positive
21 LAST_AUTO-CURATION: 1495210336033 21 LAST_AUTO-CURATION: 1495210336033
22 MOLECULAR_FORMULA: C6H3Cl3O 22 MOLECULAR_FORMULA: C6H3Cl3O
23 TOTAL_EXACT_MASS: 195.924947756 23 TOTAL_EXACT_MASS: 195.924947756
24 NUM PEAKS: 65 24 NUM PEAKS: 65
25 51.0 2.58 25 51.0 2.58
26 53.0 14.73 26 53.0 14.73
27 59.0 2.03 27 59.0 2.03
28 60.0 12.75 28 60.0 12.75
29 61.0 30.62 29 61.0 30.62
30 62.0 36.79 30 62.0 36.79
31 63.0 19.11 31 63.0 19.11
32 64.0 2.15 32 64.0 2.15
33 65.0 5.23 33 65.0 5.23
34 66.0 13.42 34 66.0 13.42
35 67.0 7.46 35 67.0 7.46
36 69.0 2.46 36 69.0 2.46
37 71.0 6.55 37 71.0 6.55
38 72.0 13.85 38 72.0 13.85
39 73.0 16.02 39 73.0 16.02
40 74.0 7.55 40 74.0 7.55
41 75.0 4.47 41 75.0 4.47
42 79.0 2.34 42 79.0 2.34
43 80.0 8.06 43 80.0 8.06
44 81.0 5.21 44 81.0 5.21
45 82.0 3.22 45 82.0 3.22
46 83.0 7.1 46 83.0 7.1
47 84.0 6.05 47 84.0 6.05
48 85.0 6.38 48 85.0 6.38
49 86.0 2.53 49 86.0 2.53
50 87.0 3.44 50 87.0 3.44
51 89.0 1.93 51 89.0 1.93
52 95.0 3.8 52 95.0 3.8
53 96.0 33.63 53 96.0 33.63
54 97.0 67.27 54 97.0 67.27
55 98.0 25.02 55 98.0 25.02
56 99.0 31.7 56 99.0 31.7
57 100.0 5.86 57 100.0 5.86
58 106.0 2.03 58 106.0 2.03
59 107.0 8.66 59 107.0 8.66
60 108.0 3.94 60 108.0 3.94
61 109.0 6.55 61 109.0 6.55
62 131.0 12.51 62 131.0 12.51
63 132.0 48.06 63 132.0 48.06
64 133.0 32.0 64 133.0 32.0
65 134.0 33.42 65 134.0 33.42
66 135.0 18.37 66 135.0 18.37
67 136.0 6.55 67 136.0 6.55
68 137.0 2.96 68 137.0 2.96
69 149.0 6.48 69 149.0 6.48
70 151.0 3.39 70 151.0 3.39
71 160.0 10.69 71 160.0 10.69
72 161.0 4.76 72 161.0 4.76
73 162.0 10.76 73 162.0 10.76
74 163.0 3.58 74 163.0 3.58
75 164.0 3.61 75 164.0 3.61
76 167.0 4.06 76 167.0 4.06
77 169.0 3.89 77 169.0 3.89
78 177.0 4.76 78 177.0 4.76
79 179.0 2.94 79 179.0 2.94
80 192.0 6.69 80 192.0 6.69
81 194.0 4.64 81 194.0 4.64
82 195.0 6.79 82 195.0 6.79
83 196.0 99.99 83 196.0 99.99
84 197.0 11.45 84 197.0 11.45
85 198.0 92.58 85 198.0 92.58
86 199.0 7.82 86 199.0 7.82
87 200.0 29.54 87 200.0 29.54
88 201.0 2.08 88 201.0 2.08
89 202.0 3.15 89 202.0 3.15
90 90