Mercurial > repos > recetox > matchms_metadata_merge

view 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
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NAME: C003
IONMODE: Negative
RETENTIONTIME: 483.67
SPECTRUMTYPE: Centroid
NUM PEAKS: 26
265.2529	11366224.0
266.2564	1420444.0
279.6362	29849749.0
280.6546	8848921.0
288.6414	202172046.0
378.2093	15309961.0
379.1966	2902366.0
522.3565	4089569222.0
523.354	1201714423.0
549.3267	63300808.0
576.2749	7386007.0
577.3074	2354251.0
617.2778	2323470.0
625.4543	4040374.0
796.9808	13576738.0
797.9841	6368973.0
809.9883	12596682.0
810.9916	6601055.0
1043.7028	144351468.0
1044.7068	83271854.0
1045.706	27998321.0
1046.7131	6505178.0
1058.1594	20718345.0
1059.1626	6608764.0
1071.1639	15461047.0
1072.1671	5096642.0

NAME: C005
IONMODE: Negative
RETENTIONTIME: 41.72
SPECTRUMTYPE: Centroid
NUM PEAKS: 20
218.1386	14009249.0
337.0623	88672453.0
338.0654	8770055.0
353.0361	37061354.0
359.0443	48435582.0
360.0459	5025128.0
375.018	29159485.0
376.0216	2740193.0
381.0261	13522755.0
396.9999	10317665.0
417.0027	13822994.0
418.9966	4386311.0
432.9764	9779399.0
438.9851	11307111.0
440.9796	3364168.0
454.9592	9820452.0
456.9603	3774845.0
470.9263	3632486.0
512.8989	4072570.0
572.871	3485486.0