Mercurial > repos > recetox > matchms_metadata_merge

comparison test-data/split/one-per-file/6.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: 1495210335864 21 LAST_AUTO-CURATION: 1495210335864
22 MOLECULAR_FORMULA: C6H4Cl2O 22 MOLECULAR_FORMULA: C6H4Cl2O
23 TOTAL_EXACT_MASS: 161.963920108 23 TOTAL_EXACT_MASS: 161.963920108
24 NUM PEAKS: 37 24 NUM PEAKS: 37
25 51.0 3.07 25 51.0 3.07
26 53.0 12.34 26 53.0 12.34
27 60.0 6.21 27 60.0 6.21
28 61.0 19.31 28 61.0 19.31
29 62.0 35.08 29 62.0 35.08
30 63.0 99.99 30 63.0 99.99
31 64.0 10.24 31 64.0 10.24
32 66.0 2.25 32 66.0 2.25
33 71.0 3.05 33 71.0 3.05
34 72.0 10.59 34 72.0 10.59
35 73.0 19.52 35 73.0 19.52
36 74.0 8.59 36 74.0 8.59
37 75.0 6.44 37 75.0 6.44
38 81.0 6.82 38 81.0 6.82
39 82.0 4.45 39 82.0 4.45
40 83.0 2.77 40 83.0 2.77
41 84.0 2.03 41 84.0 2.03
42 91.0 2.34 42 91.0 2.34
43 96.0 3.78 43 96.0 3.78
44 97.0 31.79 44 97.0 31.79
45 98.0 38.03 45 98.0 38.03
46 99.0 21.59 46 99.0 21.59
47 100.0 13.06 47 100.0 13.06
48 101.0 4.67 48 101.0 4.67
49 125.0 4.82 49 125.0 4.82
50 126.0 20.32 50 126.0 20.32
51 127.0 3.76 51 127.0 3.76
52 128.0 7.38 52 128.0 7.38
53 133.0 4.02 53 133.0 4.02
54 134.0 2.72 54 134.0 2.72
55 135.0 2.64 55 135.0 2.64
56 161.0 19.22 56 161.0 19.22
57 162.0 94.19 57 162.0 94.19
58 163.0 15.34 58 163.0 15.34
59 164.0 55.32 59 164.0 55.32
60 165.0 5.54 60 165.0 5.54
61 166.0 9.19 61 166.0 9.19
62 62