view test-data/subsetting/subsetting_output.msp @ 0:107186a6fcec draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f5f5a8eff32c9b5de792dce99bc3c63dc971e82c

IONMODE: Negative
SPECTRUMTYPE: Centroid
COMPOUND_NAME: C001
RETENTION_TIME: 38.74
RETENTION_INDEX: -1
TOOL_USED: matchms
NUM PEAKS: 57
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IONMODE: Negative
SPECTRUMTYPE: Centroid
COMPOUND_NAME: C002
RETENTION_TIME: 520.25
RETENTION_INDEX: 1234.5
TOOL_USED: matchms
NUM PEAKS: 35
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1216.8041   4439324.0
1217.807    3565334.0

IONMODE: Negative
SPECTRUMTYPE: Centroid
COMPOUND_NAME: C004
RETENTION_TIME: 473.48
TOOL_USED: matchms
NUM PEAKS: 24
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