Mercurial > repos > recetox > matchms_filtering
comparison test-data/filtering/normalise_intensities.msp @ 0:3d275fbdf741 draft
"planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4d2ac914c951166e386a94d8ebb8cb1becfac122"
author | recetox |
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date | Tue, 22 Mar 2022 16:08:03 +0000 |
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-1:000000000000 | 0:3d275fbdf741 |
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1 IONMODE: negative | |
2 SPECTRUMTYPE: Centroid | |
3 COMPOUND_NAME: C001 | |
4 RETENTION_TIME: 38.74 | |
5 RETENTION_INDEX: None | |
6 NUM PEAKS: 57 | |
7 138.9121 0.31238713555387226 | |
8 148.9337 0.03093306182282099 | |
9 175.0641 0.8212827951680125 | |
10 186.1095 0.08204982258791635 | |
11 196.8658 0.6559932163262051 | |
12 198.8647 0.6651371915222478 | |
13 200.8848 0.23744477531380626 | |
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15 216.9205 1.0 | |
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50 488.6825 0.376229111528872 | |
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63 800.4451 0.08562814917948829 | |
64 | |
65 IONMODE: negative | |
66 SPECTRUMTYPE: Centroid | |
67 COMPOUND_NAME: C002 | |
68 RETENTION_TIME: 520.25 | |
69 RETENTION_INDEX: 1234.5 | |
70 NUM PEAKS: 35 | |
71 131.1733 0.0018370867419900284 | |
72 267.2688 0.005686981655625982 | |
73 279.0196 0.0018132970906277511 | |
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81 525.375 1.0 | |
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101 1076.2004 0.009706253222314986 | |
102 1101.6535 0.0018856526994021623 | |
103 1206.3127 0.003483399747305716 | |
104 1216.8041 0.004136052723591693 | |
105 1217.807 0.0033217691254826334 | |
106 | |
107 IONMODE: negative | |
108 SPECTRUMTYPE: Centroid | |
109 COMPOUND_NAME: C003 | |
110 RETENTION_TIME: 483.67 | |
111 NUM PEAKS: 26 | |
112 265.2529 0.0027793206039538215 | |
113 266.2564 0.00034733340430054716 | |
114 279.6362 0.0072989959038771346 | |
115 280.6546 0.002163778266032735 | |
116 288.6414 0.049436024927126176 | |
117 378.2093 0.0037436610481220017 | |
118 379.1966 0.0007096996877780199 | |
119 522.3565 1.0 | |
120 523.354 0.29384865685493955 | |
121 549.3267 0.015478600450010918 | |
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137 1072.1671 0.0012462539997079428 | |
138 | |
139 IONMODE: negative | |
140 SPECTRUMTYPE: Centroid | |
141 COMPOUND_NAME: C004 | |
142 RETENTION_TIME: 473.48 | |
143 NUM PEAKS: 24 | |
144 124.1405 0.0005181964913289414 | |
145 170.2437 9.837442556482469e-05 | |
146 275.6336 0.002226328996889195 | |
147 296.147 0.015137694616192635 | |
148 482.3247 0.011589847063758851 | |
149 483.3283 0.00288178272643532 | |
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151 497.3442 0.2653231515567137 | |
152 498.3462 0.04232013408533278 | |
153 499.3493 0.005420441717160338 | |
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159 950.6274 0.00029216205711611197 | |
160 991.6726 0.11294353509394345 | |
161 992.6749 0.06067284320350776 | |
162 993.6787 0.01901492598860482 | |
163 994.6801 0.004257539105397458 | |
164 1017.6897 0.013371955835345416 | |
165 1018.6656 0.00958844553208827 | |
166 1019.6555 0.004583362385803359 | |
167 1020.6591 0.0009913747329363162 | |
168 | |
169 IONMODE: negative | |
170 SPECTRUMTYPE: Centroid | |
171 COMPOUND_NAME: C005 | |
172 RETENTION_TIME: 41.72 | |
173 NUM PEAKS: 20 | |
174 218.1386 0.15798873862212878 | |
175 337.0623 1.0 | |
176 338.0654 0.09890394032518758 | |
177 353.0361 0.4179579198062785 | |
178 359.0443 0.5462303157441691 | |
179 360.0459 0.0566706776455141 | |
180 375.018 0.3288449119592981 | |
181 376.0216 0.03090241565776916 | |
182 381.0261 0.15250232222627247 | |
183 396.9999 0.1163570494660839 | |
184 417.0027 0.1558882553976487 | |
185 418.9966 0.049466444781898614 | |
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193 572.871 0.03930742730214083 | |
194 |