Mercurial > repos > recetox > matchms_fingerprint_similarity

annotate test-data/remove_key/out_matchms_remove_key.msp @ 12:99da744050b7 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
author recetox
date Wed, 13 Mar 2024 10:14:23 +0000
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
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1 NAME: C001
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
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2 RETENTIONTIME: 38.74
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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3 RETENTIONINDEX: -1
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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4 SPECTRUMTYPE: Centroid
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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5 NUM PEAKS: 57
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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recetox
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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recetox
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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recetox
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recetox
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recetox
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recetox
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recetox
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recetox
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recetox
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recetox
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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recetox
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recetox
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recetox
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recetox
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recetox
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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recetox
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recetox
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99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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recetox
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recetox
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parents:
diff changeset
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recetox
parents:
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recetox
parents:
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recetox
parents:
diff changeset
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recetox
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recetox
parents:
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100 1101.6535 2023916.0
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recetox
parents:
diff changeset
101 1206.3127 3738816.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
102 1216.8041 4439324.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
103 1217.807 3565334.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
104
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
105 NAME: C003
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
106 RETENTIONTIME: 483.67
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
107 SPECTRUMTYPE: Centroid
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
108 NUM PEAKS: 26
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
109 265.2529 11366224.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
110 266.2564 1420444.0
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recetox
parents:
diff changeset
111 279.6362 29849749.0
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recetox
parents:
diff changeset
112 280.6546 8848921.0
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recetox
parents:
diff changeset
113 288.6414 202172046.0
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recetox
parents:
diff changeset
114 378.2093 15309961.0
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recetox
parents:
diff changeset
115 379.1966 2902366.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
116 522.3565 4089569222.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
117 523.354 1201714423.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
118 549.3267 63300808.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
119 576.2749 7386007.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
120 577.3074 2354251.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
121 617.2778 2323470.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
122 625.4543 4040374.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
123 796.9808 13576738.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
124 797.9841 6368973.0
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recetox
parents:
diff changeset
125 809.9883 12596682.0
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recetox
parents:
diff changeset
126 810.9916 6601055.0
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recetox
parents:
diff changeset
127 1043.7028 144351468.0
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recetox
parents:
diff changeset
128 1044.7068 83271854.0
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recetox
parents:
diff changeset
129 1045.706 27998321.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
130 1046.7131 6505178.0
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recetox
parents:
diff changeset
131 1058.1594 20718345.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
132 1059.1626 6608764.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
133 1071.1639 15461047.0
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recetox
parents:
diff changeset
134 1072.1671 5096642.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
135
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
136 NAME: C004
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
137 RETENTIONTIME: 473.48
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
138 SPECTRUMTYPE: Centroid
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
139 NUM PEAKS: 24
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
140 124.1405 6517662.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
141 170.2437 1237313.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
142 275.6336 28001849.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
143 296.147 190395687.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
144 482.3247 145772322.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
145 483.3283 36245876.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
146 496.34 12577588056.0
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recetox
parents:
diff changeset
147 497.3442 3337125302.0
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recetox
parents:
diff changeset
148 498.3462 532285213.0
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recetox
parents:
diff changeset
149 499.3493 68176083.0
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recetox
parents:
diff changeset
150 770.964 49250157.0
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recetox
parents:
diff changeset
151 771.9675 22666873.0
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recetox
parents:
diff changeset
152 783.9721 9839299.0
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recetox
parents:
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153 784.9749 3622908.0
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recetox
parents:
diff changeset
154 949.6233 8009033.0
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recetox
parents:
diff changeset
155 950.6274 3674694.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
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156 991.6726 1420557258.0
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recetox
parents:
diff changeset
157 992.6749 763118028.0
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recetox
parents:
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158 993.6787 239161906.0
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recetox
parents:
diff changeset
159 994.6801 53549573.0
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recetox
parents:
diff changeset
160 1017.6897 168186952.0
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recetox
parents:
diff changeset
161 1018.6656 120599518.0
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recetox
parents:
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162 1019.6555 57647644.0
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recetox
parents:
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163 1020.6591 12469103.0
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recetox
parents:
diff changeset
164
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
165 NAME: C005
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
166 RETENTIONTIME: 41.72
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recetox
parents:
diff changeset
167 SPECTRUMTYPE: Centroid
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
168 NUM PEAKS: 20
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
169 218.1386 14009249.0
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recetox
parents:
diff changeset
170 337.0623 88672453.0
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recetox
parents:
diff changeset
171 338.0654 8770055.0
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recetox
parents:
diff changeset
172 353.0361 37061354.0
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recetox
parents:
diff changeset
173 359.0443 48435582.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
174 360.0459 5025128.0
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recetox
parents:
diff changeset
175 375.018 29159485.0
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recetox
parents:
diff changeset
176 376.0216 2740193.0
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recetox
parents:
diff changeset
177 381.0261 13522755.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
178 396.9999 10317665.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
179 417.0027 13822994.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
180 418.9966 4386311.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
181 432.9764 9779399.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
182 438.9851 11307111.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
183 440.9796 3364168.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
184 454.9592 9820452.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
185 456.9603 3774845.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
186 470.9263 3632486.0
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recetox
parents:
diff changeset
187 512.8989 4072570.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
188 572.871 3485486.0
99da744050b7 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
recetox
parents:
diff changeset
189