Mercurial > repos > recetox > matchms_metadata_merge

comparison test-data/split/one-per-file/1.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: 1495210335764 21 LAST_AUTO-CURATION: 1495210335764
22 MOLECULAR_FORMULA: C6H4N2O5 22 MOLECULAR_FORMULA: C6H4N2O5
23 TOTAL_EXACT_MASS: 184.01202122799998 23 TOTAL_EXACT_MASS: 184.01202122799998
24 NUM PEAKS: 64 24 NUM PEAKS: 64
25 51.0 27.22 25 51.0 27.22
26 52.0 19.9 26 52.0 19.9
27 53.0 61.8 27 53.0 61.8
28 54.0 6.76 28 54.0 6.76
29 55.0 13.95 29 55.0 13.95
30 56.0 3.86 30 56.0 3.86
31 57.0 11.52 31 57.0 11.52
32 60.0 6.43 32 60.0 6.43
33 61.0 13.38 33 61.0 13.38
34 62.0 36.19 34 62.0 36.19
35 63.0 61.37 35 63.0 61.37
36 64.0 26.2 36 64.0 26.2
37 65.0 6.74 37 65.0 6.74
38 66.0 5.1 38 66.0 5.1
39 67.0 7.43 39 67.0 7.43
40 68.0 10.32 40 68.0 10.32
41 69.0 29.16 41 69.0 29.16
42 70.0 5.53 42 70.0 5.53
43 71.0 6.11 43 71.0 6.11
44 73.0 4.14 44 73.0 4.14
45 74.0 3.92 45 74.0 3.92
46 75.0 3.49 46 75.0 3.49
47 76.0 4.33 47 76.0 4.33
48 77.0 6.21 48 77.0 6.21
49 78.0 5.1 49 78.0 5.1
50 79.0 35.07 50 79.0 35.07
51 80.0 9.85 51 80.0 9.85
52 81.0 16.0 52 81.0 16.0
53 82.0 5.37 53 82.0 5.37
54 83.0 6.13 54 83.0 6.13
55 84.0 2.96 55 84.0 2.96
56 85.0 3.0 56 85.0 3.0
57 90.0 12.01 57 90.0 12.01
58 91.0 53.25 58 91.0 53.25
59 92.0 28.32 59 92.0 28.32
60 93.0 18.25 60 93.0 18.25
61 94.0 3.51 61 94.0 3.51
62 95.0 6.41 62 95.0 6.41
63 96.0 5.43 63 96.0 5.43
64 97.0 5.12 64 97.0 5.12
65 98.0 2.43 65 98.0 2.43
66 105.0 3.76 66 105.0 3.76
67 106.0 6.35 67 106.0 6.35
68 107.0 38.97 68 107.0 38.97
69 108.0 7.11 69 108.0 7.11
70 109.0 3.98 70 109.0 3.98
71 111.0 2.63 71 111.0 2.63
72 120.0 2.12 72 120.0 2.12
73 121.0 4.45 73 121.0 4.45
74 122.0 4.0 74 122.0 4.0
75 123.0 3.14 75 123.0 3.14
76 126.0 2.12 76 126.0 2.12
77 136.0 2.77 77 136.0 2.77
78 137.0 3.14 78 137.0 3.14
79 138.0 3.55 79 138.0 3.55
80 149.0 4.12 80 149.0 4.12
81 153.0 4.02 81 153.0 4.02
82 154.0 39.3 82 154.0 39.3
83 155.0 3.16 83 155.0 3.16
84 168.0 3.29 84 168.0 3.29
85 183.0 3.26 85 183.0 3.26
86 184.0 99.99 86 184.0 99.99
87 185.0 8.17 87 185.0 8.17
88 186.0 1.34 88 186.0 1.34
89 89