Mercurial > repos > recetox > matchms

comparison test-data/filtering/input.msp @ 11:ba9410f612bc draft

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"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit c32f579c38aef4c2c5d088e6c1c9e522bc0a1a12"
author recetox
date Thu, 17 Mar 2022 12:26:24 +0000
parents c3dd958cc4a5
children
comparison
equal deleted inserted replaced
10:c3dd958cc4a5 11:ba9410f612bc
1 NAME:C001 1 NAME:C001
2 IONMODE:Negative 2 IONMODE:Negative
3 RETENTIONTIME:38.74 3 RETENTIONTIME:38.74
4 RETENTIONINDEX: 4 RETENTIONINDEX: -1
5 SPECTRUMTYPE:Centroid 5 SPECTRUMTYPE:Centroid
6 Num Peaks:57 6 Num Peaks:57
7 216.9205 32607700 7 216.9205 32607700
8 256.8215 31377637 8 256.8215 31377637
9 175.0641 26780143 9 175.0641 26780143
63 148.9337 1008656 63 148.9337 1008656
64 64
65 NAME:C002 65 NAME:C002
66 IONMODE:Negative 66 IONMODE:Negative
67 RETENTIONTIME:520.25 67 RETENTIONTIME:520.25
68 RETENTIONINDEX: 68 RETENTIONINDEX: 1234.5
69 SPECTRUMTYPE:Centroid 69 SPECTRUMTYPE:Centroid
70 Num Peaks:35 70 Num Peaks:35
71 525.375 1073323842 71 525.375 1073323842
72 310.1623 295359836 72 310.1623 295359836
73 526.3783 181668883 73 526.3783 181668883
105 279.0196 1946255 105 279.0196 1946255
106 106
107 NAME:C003 107 NAME:C003
108 IONMODE:Negative 108 IONMODE:Negative
109 RETENTIONTIME:483.67 109 RETENTIONTIME:483.67
110 RETENTIONINDEX:
111 SPECTRUMTYPE:Centroid 110 SPECTRUMTYPE:Centroid
112 Num Peaks:26 111 Num Peaks:26
113 522.3565 4089569222 112 522.3565 4089569222
114 523.354 1201714423 113 523.354 1201714423
115 288.6414 202172046 114 288.6414 202172046
138 266.2564 1420444 137 266.2564 1420444
139 138
140 NAME:C004 139 NAME:C004
141 IONMODE:Negative 140 IONMODE:Negative
142 RETENTIONTIME:473.48 141 RETENTIONTIME:473.48
143 RETENTIONINDEX:
144 SPECTRUMTYPE:Centroid 142 SPECTRUMTYPE:Centroid
145 Num Peaks:24 143 Num Peaks:24
146 496.34 12577588056 144 496.34 12577588056
147 497.3442 3337125302 145 497.3442 3337125302
148 991.6726 1420557258 146 991.6726 1420557258
169 170.2437 1237313 167 170.2437 1237313
170 168
171 NAME:C005 169 NAME:C005
172 IONMODE:Negative 170 IONMODE:Negative
173 RETENTIONTIME:41.72 171 RETENTIONTIME:41.72
174 RETENTIONINDEX:
175 SPECTRUMTYPE:Centroid 172 SPECTRUMTYPE:Centroid
176 Num Peaks:20 173 Num Peaks:20
177 337.0623 88672453 174 337.0623 88672453
178 359.0443 48435582 175 359.0443 48435582
179 353.0361 37061354 176 353.0361 37061354