Mercurial > repos > recetox > matchms_metadata_merge
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 |
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date | Mon, 30 Jun 2025 13:03:32 +0000 |
parents | 99ad7552fb10 |
children |
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16:1fd950c5586a | 17:e23c14cee5a9 |
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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 |