comparison test-data/add_key/out_matchms_add_key.msp @ 23:34439ffa6a60 draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit da193865f41a3a840ecc4ba0afab1d358554998a
author recetox
date Mon, 05 Feb 2024 10:39:25 +0000
parents
children
comparison
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22:f76a397afbe1 23:34439ffa6a60
1 NAME: C001
2 IONMODE: Negative
3 RETENTIONTIME: 38.74
4 RETENTIONINDEX: -1
5 SPECTRUMTYPE: Centroid
6 TOOL_USED: matchms
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66 NAME: C002
67 IONMODE: Negative
68 RETENTIONTIME: 520.25
69 RETENTIONINDEX: 1234.5
70 SPECTRUMTYPE: Centroid
71 TOOL_USED: matchms
72 NUM PEAKS: 35
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109 NAME: C003
110 IONMODE: Negative
111 RETENTIONTIME: 483.67
112 SPECTRUMTYPE: Centroid
113 TOOL_USED: matchms
114 NUM PEAKS: 26
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142 NAME: C004
143 IONMODE: Negative
144 RETENTIONTIME: 473.48
145 SPECTRUMTYPE: Centroid
146 TOOL_USED: matchms
147 NUM PEAKS: 24
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172
173 NAME: C005
174 IONMODE: Negative
175 RETENTIONTIME: 41.72
176 SPECTRUMTYPE: Centroid
177 TOOL_USED: matchms
178 NUM PEAKS: 20
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