Mercurial > repos > recetox > matchms_metadata_merge

comparison test-data/subsetting/subsetting_output2.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
1 NAME: C003 1 NAME: C003
2 IONMODE: Negative 2 IONMODE: Negative
3 RETENTIONTIME: 483.67 3 RETENTIONTIME: 483.67
4 SPECTRUMTYPE: Centroid 4 SPECTRUMTYPE: Centroid
5 NUM PEAKS: 26 5 NUM PEAKS: 26
6 265.2529 11366224.0 6 265.2529 11366224.0
7 266.2564 1420444.0 7 266.2564 1420444.0
8 279.6362 29849749.0 8 279.6362 29849749.0
9 280.6546 8848921.0 9 280.6546 8848921.0
10 288.6414 202172046.0 10 288.6414 202172046.0
11 378.2093 15309961.0 11 378.2093 15309961.0
12 379.1966 2902366.0 12 379.1966 2902366.0
13 522.3565 4089569222.0 13 522.3565 4089569222.0
14 523.354 1201714423.0 14 523.354 1201714423.0
15 549.3267 63300808.0 15 549.3267 63300808.0
16 576.2749 7386007.0 16 576.2749 7386007.0
17 577.3074 2354251.0 17 577.3074 2354251.0
18 617.2778 2323470.0 18 617.2778 2323470.0
19 625.4543 4040374.0 19 625.4543 4040374.0
20 796.9808 13576738.0 20 796.9808 13576738.0
21 797.9841 6368973.0 21 797.9841 6368973.0
22 809.9883 12596682.0 22 809.9883 12596682.0
23 810.9916 6601055.0 23 810.9916 6601055.0
24 1043.7028 144351468.0 24 1043.7028 144351468.0
25 1044.7068 83271854.0 25 1044.7068 83271854.0
26 1045.706 27998321.0 26 1045.706 27998321.0
27 1046.7131 6505178.0 27 1046.7131 6505178.0
28 1058.1594 20718345.0 28 1058.1594 20718345.0
29 1059.1626 6608764.0 29 1059.1626 6608764.0
30 1071.1639 15461047.0 30 1071.1639 15461047.0
31 1072.1671 5096642.0 31 1072.1671 5096642.0
32 32
33 NAME: C005 33 NAME: C005
34 IONMODE: Negative 34 IONMODE: Negative
35 RETENTIONTIME: 41.72 35 RETENTIONTIME: 41.72
36 SPECTRUMTYPE: Centroid 36 SPECTRUMTYPE: Centroid
37 NUM PEAKS: 20 37 NUM PEAKS: 20
38 218.1386 14009249.0 38 218.1386 14009249.0
39 337.0623 88672453.0 39 337.0623 88672453.0
40 338.0654 8770055.0 40 338.0654 8770055.0
41 353.0361 37061354.0 41 353.0361 37061354.0
42 359.0443 48435582.0 42 359.0443 48435582.0
43 360.0459 5025128.0 43 360.0459 5025128.0
44 375.018 29159485.0 44 375.018 29159485.0
45 376.0216 2740193.0 45 376.0216 2740193.0
46 381.0261 13522755.0 46 381.0261 13522755.0
47 396.9999 10317665.0 47 396.9999 10317665.0
48 417.0027 13822994.0 48 417.0027 13822994.0
49 418.9966 4386311.0 49 418.9966 4386311.0
50 432.9764 9779399.0 50 432.9764 9779399.0
51 438.9851 11307111.0 51 438.9851 11307111.0
52 440.9796 3364168.0 52 440.9796 3364168.0
53 454.9592 9820452.0 53 454.9592 9820452.0
54 456.9603 3774845.0 54 456.9603 3774845.0
55 470.9263 3632486.0 55 470.9263 3632486.0
56 512.8989 4072570.0 56 512.8989 4072570.0
57 572.871 3485486.0 57 572.871 3485486.0
58 58