Mercurial > repos > recetox > matchms_formatter

annotate test-data/subsetting/subsetting_output2.msp @ 18:86a45ba3d3f2 draft

Find changesets by keywords (author, files, the commit message), revision number or hash, or revset expression.
planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 0ea5c86ceabe9f24dd61b399127b0d19a0ae2657
author recetox
date Fri, 01 Dec 2023 11:16:22 +0000
parents 37da26e798f2
children 34439ffa6a60
Ignore whitespace changes - Everywhere: Within whitespace: At end of lines:
rev   line source
15
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
1 IONMODE: Negative
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
2 SPECTRUMTYPE: Centroid
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
3 COMPOUND_NAME: C003
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
4 RETENTION_TIME: 483.67
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
5 TOOL_USED: matchms
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
6 NUM PEAKS: 26
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
7 265.2529 11366224.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
8 266.2564 1420444.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
9 279.6362 29849749.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
10 280.6546 8848921.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
11 288.6414 202172046.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
12 378.2093 15309961.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
13 379.1966 2902366.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
14 522.3565 4089569222.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
15 523.354 1201714423.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
16 549.3267 63300808.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
17 576.2749 7386007.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
18 577.3074 2354251.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
19 617.2778 2323470.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
20 625.4543 4040374.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
21 796.9808 13576738.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
22 797.9841 6368973.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
23 809.9883 12596682.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
24 810.9916 6601055.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
25 1043.7028 144351468.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
26 1044.7068 83271854.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
27 1045.706 27998321.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
28 1046.7131 6505178.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
29 1058.1594 20718345.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
30 1059.1626 6608764.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
31 1071.1639 15461047.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
32 1072.1671 5096642.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
33
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
34 IONMODE: Negative
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
35 SPECTRUMTYPE: Centroid
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
36 COMPOUND_NAME: C005
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
37 RETENTION_TIME: 41.72
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
38 TOOL_USED: matchms
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
39 NUM PEAKS: 20
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
40 218.1386 14009249.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
41 337.0623 88672453.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
42 338.0654 8770055.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
43 353.0361 37061354.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
44 359.0443 48435582.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
45 360.0459 5025128.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
46 375.018 29159485.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
47 376.0216 2740193.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
48 381.0261 13522755.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
49 396.9999 10317665.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
50 417.0027 13822994.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
51 418.9966 4386311.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
52 432.9764 9779399.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
53 438.9851 11307111.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
54 440.9796 3364168.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
55 454.9592 9820452.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
56 456.9603 3774845.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
57 470.9263 3632486.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
58 512.8989 4072570.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
59 572.871 3485486.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
diff changeset
60