Mercurial > repos > recetox > matchms_formatter

comparison test-data/add_key/add_key_test2_out.msp @ 25:9287136a396a 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 f14275bfdc2caa760d71d307ca1803eab1adde76
author recetox
date Wed, 13 Mar 2024 10:17:42 +0000
parents 34439ffa6a60
children
comparison
equal deleted inserted replaced
24:c55da3d77c95 25:9287136a396a
14 COLLISION_ENERGY: 70eV 14 COLLISION_ENERGY: 70eV
15 INSTRUMENT_TYPE: GC-EI-Orbitrap 15 INSTRUMENT_TYPE: GC-EI-Orbitrap
16 CHARGE: 1 16 CHARGE: 1
17 PARENT_MASS: 251.08595400000002 17 PARENT_MASS: 251.08595400000002
18 ADDUCT: [M]+ 18 ADDUCT: [M]+
19 TOOL_USED: matchms
19 NUM PEAKS: 3 20 NUM PEAKS: 3
20 250.07765 0.3282529462971431 21 250.07765 0.3282529462971431
21 252.09323 1.0 22 252.09323 1.0
22 253.09656 0.20573802940517583 23 253.09656 0.20573802940517583
23 24
37 COLLISION_ENERGY: 70eV 38 COLLISION_ENERGY: 70eV
38 INSTRUMENT_TYPE: GC-EI-Orbitrap 39 INSTRUMENT_TYPE: GC-EI-Orbitrap
39 CHARGE: 1 40 CHARGE: 1
40 PARENT_MASS: 177.070224 41 PARENT_MASS: 177.070224
41 ADDUCT: [M]+ 42 ADDUCT: [M]+
43 TOOL_USED: matchms
42 NUM PEAKS: 5 44 NUM PEAKS: 5
43 152.0619 0.1657993569424221 45 152.0619 0.1657993569424221
44 176.062 0.24558560966311757 46 176.062 0.24558560966311757
45 177.06982 0.12764433529926775 47 177.06982 0.12764433529926775
46 178.0775 1.0 48 178.0775 1.0