Mercurial > repos > recetox > matchms_formatter

comparison test-data/subsetting/subsetting_output.msp @ 15:37da26e798f2 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
author recetox
date Wed, 22 Nov 2023 14:43:44 +0000
parents
children 34439ffa6a60
comparison
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14:184e5f0b4671 15:37da26e798f2
1 IONMODE: Negative
2 SPECTRUMTYPE: Centroid
3 COMPOUND_NAME: C001
4 RETENTION_TIME: 38.74
5 RETENTION_INDEX: -1
6 TOOL_USED: matchms
7 NUM PEAKS: 57
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65
66 IONMODE: Negative
67 SPECTRUMTYPE: Centroid
68 COMPOUND_NAME: C002
69 RETENTION_TIME: 520.25
70 RETENTION_INDEX: 1234.5
71 TOOL_USED: matchms
72 NUM PEAKS: 35
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108
109 IONMODE: Negative
110 SPECTRUMTYPE: Centroid
111 COMPOUND_NAME: C004
112 RETENTION_TIME: 473.48
113 TOOL_USED: matchms
114 NUM PEAKS: 24
115 124.1405 6517662.0
116 170.2437 1237313.0
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139