Mercurial > repos > recetox > matchms_metadata_merge

comparison test-data/split/one-per-file/9.msp @ 17:e23c14cee5a9 draft default tip

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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 13:03:32 +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: 1495210336053 21 LAST_AUTO-CURATION: 1495210336053
22 MOLECULAR_FORMULA: C6H3Cl3O 22 MOLECULAR_FORMULA: C6H3Cl3O
23 TOTAL_EXACT_MASS: 195.924947756 23 TOTAL_EXACT_MASS: 195.924947756
24 NUM PEAKS: 66 24 NUM PEAKS: 66
25 53.0 14.63 25 53.0 14.63
26 55.0 2.49 26 55.0 2.49
27 57.0 2.2 27 57.0 2.2
28 60.0 12.21 28 60.0 12.21
29 61.0 32.06 29 61.0 32.06
30 62.0 42.22 30 62.0 42.22
31 63.0 36.9 31 63.0 36.9
32 64.0 4.32 32 64.0 4.32
33 65.0 8.43 33 65.0 8.43
34 66.0 23.0 34 66.0 23.0
35 67.0 12.65 35 67.0 12.65
36 68.0 2.71 36 68.0 2.71
37 71.0 6.78 37 71.0 6.78
38 72.0 13.68 38 72.0 13.68
39 73.0 17.64 39 73.0 17.64
40 74.0 8.84 40 74.0 8.84
41 75.0 5.57 41 75.0 5.57
42 80.0 9.94 42 80.0 9.94
43 81.0 8.84 43 81.0 8.84
44 82.0 4.21 44 82.0 4.21
45 83.0 8.62 45 83.0 8.62
46 84.0 6.16 46 84.0 6.16
47 85.0 5.83 47 85.0 5.83
48 87.0 3.92 48 87.0 3.92
49 89.0 2.2 49 89.0 2.2
50 90.0 2.89 50 90.0 2.89
51 91.0 2.09 51 91.0 2.09
52 95.0 4.84 52 95.0 4.84
53 96.0 34.11 53 96.0 34.11
54 97.0 70.76 54 97.0 70.76
55 98.0 39.72 55 98.0 39.72
56 99.0 38.18 56 99.0 38.18
57 100.0 10.63 57 100.0 10.63
58 101.0 2.64 58 101.0 2.64
59 106.0 2.45 59 106.0 2.45
60 107.0 9.09 60 107.0 9.09
61 108.0 3.77 61 108.0 3.77
62 109.0 7.22 62 109.0 7.22
63 111.0 2.23 63 111.0 2.23
64 125.0 3.44 64 125.0 3.44
65 126.0 8.91 65 126.0 8.91
66 127.0 2.05 66 127.0 2.05
67 128.0 3.52 67 128.0 3.52
68 131.0 18.48 68 131.0 18.48
69 132.0 57.96 69 132.0 57.96
70 133.0 22.12 70 133.0 22.12
71 134.0 40.71 71 134.0 40.71
72 135.0 10.45 72 135.0 10.45
73 136.0 7.81 73 136.0 7.81
74 160.0 31.84 74 160.0 31.84
75 161.0 5.2 75 161.0 5.2
76 162.0 50.47 76 162.0 50.47
77 163.0 5.2 77 163.0 5.2
78 164.0 22.81 78 164.0 22.81
79 166.0 5.57 79 166.0 5.57
80 167.0 4.1 80 167.0 4.1
81 168.0 2.56 81 168.0 2.56
82 169.0 3.63 82 169.0 3.63
83 195.0 3.59 83 195.0 3.59
84 196.0 99.99 84 196.0 99.99
85 197.0 9.68 85 197.0 9.68
86 198.0 91.34 86 198.0 91.34
87 199.0 7.07 87 199.0 7.07
88 200.0 28.42 88 200.0 28.42
89 201.0 2.09 89 201.0 2.09
90 202.0 3.04 90 202.0 3.04
91 91