Mercurial > repos > recetox > matchms_split

comparison test-data/split/one-per-file/4.msp @ 23:6864944b00fd 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 13:02:23 +0000
parents 114617e6ad33
children
comparison
equal deleted inserted replaced
22:ea6c5636c0cf 23:6864944b00fd
20 IONIZATION_MODE: positive 20 IONIZATION_MODE: positive
21 LAST_AUTO-CURATION: 1495210335848 21 LAST_AUTO-CURATION: 1495210335848
22 MOLECULAR_FORMULA: C6H4Cl2O 22 MOLECULAR_FORMULA: C6H4Cl2O
23 TOTAL_EXACT_MASS: 161.963920108 23 TOTAL_EXACT_MASS: 161.963920108
24 NUM PEAKS: 33 24 NUM PEAKS: 33
25 53.0 7.25 25 53.0 7.25
26 60.0 3.0 26 60.0 3.0
27 61.0 8.88 27 61.0 8.88
28 62.0 17.84 28 62.0 17.84
29 63.0 70.92 29 63.0 70.92
30 64.0 8.02 30 64.0 8.02
31 65.0 2.01 31 65.0 2.01
32 72.0 5.48 32 72.0 5.48
33 73.0 12.35 33 73.0 12.35
34 74.0 4.63 34 74.0 4.63
35 75.0 4.81 35 75.0 4.81
36 81.0 6.73 36 81.0 6.73
37 82.0 4.37 37 82.0 4.37
38 83.0 2.09 38 83.0 2.09
39 91.0 3.83 39 91.0 3.83
40 97.0 7.27 40 97.0 7.27
41 98.0 34.04 41 98.0 34.04
42 99.0 15.04 42 99.0 15.04
43 100.0 13.17 43 100.0 13.17
44 101.0 4.37 44 101.0 4.37
45 107.0 2.61 45 107.0 2.61
46 125.0 2.01 46 125.0 2.01
47 126.0 33.42 47 126.0 33.42
48 127.0 3.34 48 127.0 3.34
49 128.0 11.41 49 128.0 11.41
50 133.0 3.34 50 133.0 3.34
51 135.0 2.17 51 135.0 2.17
52 161.0 2.35 52 161.0 2.35
53 162.0 99.99 53 162.0 99.99
54 163.0 8.23 54 163.0 8.23
55 164.0 63.43 55 164.0 63.43
56 165.0 4.35 56 165.0 4.35
57 166.0 9.91 57 166.0 9.91
58 58