Mercurial > repos > recetox > matchms_networking

annotate test-data/similarity/fill.mgf @ 2:641109702e5f draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 8989605190816b606fd0bf5be101c6d385a4ce52
author recetox
date Tue, 02 May 2023 10:15:32 +0000
parents e4ec3592507f
children
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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1 BEGIN IONS
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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2 NAME=C001
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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3 IONMODE=Negative
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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4 RETENTIONTIME=38.74
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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5 RETENTIONINDEX=
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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6 SPECTRUMTYPE=Centroid
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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7 NUM PEAKS=57
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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65 END IONS
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67 BEGIN IONS
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68 NAME=C002
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69 IONMODE=Negative
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70 RETENTIONTIME=520.25
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72 SPECTRUMTYPE=Centroid
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73 NUM PEAKS=35
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110
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recetox
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recetox
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113 IONMODE=Negative
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116 SPECTRUMTYPE=Centroid
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128 576.2749 7386007.0
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129 577.3074 2354251.0
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130 617.2778 2323470.0
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131 625.4543 4040374.0
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139 1046.7131 6505178.0
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140 1058.1594 20718345.0
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141 1059.1626 6608764.0
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142 1071.1639 15461047.0
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143 1072.1671 5096642.0
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144 END IONS
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recetox
parents:
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145
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recetox
parents:
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146 BEGIN IONS
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recetox
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147 NAME=C004
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recetox
parents:
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148 IONMODE=Negative
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149 RETENTIONTIME=473.48
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150 RETENTIONINDEX=
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151 SPECTRUMTYPE=Centroid
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152 NUM PEAKS=24
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153 124.1405 6517662.0
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154 170.2437 1237313.0
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155 275.6336 28001849.0
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156 296.147 190395687.0
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157 482.3247 145772322.0
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158 483.3283 36245876.0
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159 496.34 12577588056.0
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160 497.3442 3337125302.0
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161 498.3462 532285213.0
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162 499.3493 68176083.0
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163 770.964 49250157.0
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164 771.9675 22666873.0
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165 783.9721 9839299.0
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166 784.9749 3622908.0
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167 949.6233 8009033.0
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168 950.6274 3674694.0
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169 991.6726 1420557258.0
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170 992.6749 763118028.0
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171 993.6787 239161906.0
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172 994.6801 53549573.0
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173 1017.6897 168186952.0
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recetox
parents:
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174 1018.6656 120599518.0
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175 1019.6555 57647644.0
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176 1020.6591 12469103.0
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recetox
parents:
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177 END IONS
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178
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
recetox
parents:
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179 BEGIN IONS
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recetox
parents:
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180 NAME=C005
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recetox
parents:
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181 IONMODE=Negative
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recetox
parents:
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182 RETENTIONTIME=41.72
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recetox
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183 RETENTIONINDEX=
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recetox
parents:
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184 SPECTRUMTYPE=Centroid
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recetox
parents:
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185 NUM PEAKS=20
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recetox
parents:
diff changeset
186 218.1386 14009249.0
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187 337.0623 88672453.0
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188 338.0654 8770055.0
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189 353.0361 37061354.0
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190 359.0443 48435582.0
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191 360.0459 5025128.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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192 375.018 29159485.0
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193 376.0216 2740193.0
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194 381.0261 13522755.0
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195 396.9999 10317665.0
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196 417.0027 13822994.0
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197 418.9966 4386311.0
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198 432.9764 9779399.0
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199 438.9851 11307111.0
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200 440.9796 3364168.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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201 454.9592 9820452.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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202 456.9603 3774845.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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203 470.9263 3632486.0
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204 512.8989 4072570.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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205 572.871 3485486.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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206 END IONS
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207
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208 BEGIN IONS
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209 NAME=C006
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210 IONMODE=Negative
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211 RETENTIONTIME=452.08
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212 RETENTIONINDEX=
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213 SPECTRUMTYPE=Centroid
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214 NUM PEAKS=19
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215 265.6196 4371245.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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216 274.6257 21694276.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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217 290.6256 9704443.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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218 471.1945 2160605.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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219 484.3311 5283943.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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220 494.3249 803829845.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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221 495.3278 207959661.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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222 516.3076 24092471.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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223 542.3239 193323900.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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224 543.3276 55501736.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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225 987.6411 7453650.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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226 988.6455 3739523.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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227 1001.658 11852076.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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228 1037.6578 7076912.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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229 1061.6562 9417442.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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230 1062.6592 5657208.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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231 1087.6715 34676828.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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232 1088.6773 21466528.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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233 1089.682 9948820.0
e4ec3592507f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f7bab98744e338dcdbdc9cf6f9de287632c76ea2
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234 END IONS