Mercurial > repos > recetox > matchms_subsetting

comparison test-data/split/one-per-file/5.msp @ 18:6ac4a790adad 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 13:05:31 +0000
parents 4ef214cf07c1
children
comparison
equal deleted inserted replaced
17:5bbd1a8404f5 18:6ac4a790adad
20 IONIZATION_MODE: positive 20 IONIZATION_MODE: positive
21 LAST_AUTO-CURATION: 1495210335870 21 LAST_AUTO-CURATION: 1495210335870
22 MOLECULAR_FORMULA: C6H4Cl2O 22 MOLECULAR_FORMULA: C6H4Cl2O
23 TOTAL_EXACT_MASS: 161.963920108 23 TOTAL_EXACT_MASS: 161.963920108
24 NUM PEAKS: 42 24 NUM PEAKS: 42
25 51.0 4.43 25 51.0 4.43
26 53.0 10.39 26 53.0 10.39
27 60.0 9.21 27 60.0 9.21
28 61.0 24.93 28 61.0 24.93
29 62.0 43.19 29 62.0 43.19
30 63.0 99.99 30 63.0 99.99
31 64.0 12.57 31 64.0 12.57
32 65.0 4.81 32 65.0 4.81
33 66.0 3.39 33 66.0 3.39
34 71.0 3.67 34 71.0 3.67
35 72.0 15.34 35 72.0 15.34
36 73.0 25.07 36 73.0 25.07
37 74.0 11.84 37 74.0 11.84
38 75.0 8.79 38 75.0 8.79
39 81.0 4.78 39 81.0 4.78
40 82.0 3.25 40 82.0 3.25
41 83.0 2.63 41 83.0 2.63
42 84.0 3.87 42 84.0 3.87
43 85.0 2.49 43 85.0 2.49
44 87.0 5.09 44 87.0 5.09
45 89.0 2.21 45 89.0 2.21
46 91.0 6.02 46 91.0 6.02
47 96.0 3.11 47 96.0 3.11
48 97.0 12.05 48 97.0 12.05
49 98.0 35.88 49 98.0 35.88
50 99.0 22.09 50 99.0 22.09
51 100.0 13.5 51 100.0 13.5
52 101.0 6.26 52 101.0 6.26
53 107.0 3.33 53 107.0 3.33
54 109.0 2.73 54 109.0 2.73
55 125.0 3.11 55 125.0 3.11
56 126.0 59.16 56 126.0 59.16
57 127.0 5.61 57 127.0 5.61
58 128.0 19.32 58 128.0 19.32
59 133.0 5.33 59 133.0 5.33
60 135.0 2.84 60 135.0 2.84
61 161.0 2.52 61 161.0 2.52
62 162.0 68.96 62 162.0 68.96
63 163.0 6.51 63 163.0 6.51
64 164.0 51.64 64 164.0 51.64
65 165.0 2.9 65 165.0 2.9
66 166.0 7.58 66 166.0 7.58
67 67