annotate test-data/similarity/fill.mgf @ 11:fbdb2ae524df draft default tip

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 129488bfd91735fc55fe32edb1079c24eee7b2d3
author recetox
date Thu, 14 Nov 2024 15:13:34 +0000
parents ea891750acfc
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ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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1 BEGIN IONS
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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2 NAME=C001
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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3 IONMODE=Negative
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4 RETENTIONTIME=38.74
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5 RETENTIONINDEX=
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6 SPECTRUMTYPE=Centroid
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7 NUM PEAKS=57
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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67 BEGIN IONS
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69 IONMODE=Negative
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recetox
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102 1074.1979 3402288.0
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103 1075.1968 33352763.0
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106 1206.3127 3738816.0
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107 1216.8041 4439324.0
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108 1217.807 3565334.0
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recetox
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109 END IONS
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
110
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
111 BEGIN IONS
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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112 NAME=C003
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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113 IONMODE=Negative
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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114 RETENTIONTIME=483.67
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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115 RETENTIONINDEX=
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recetox
parents:
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116 SPECTRUMTYPE=Centroid
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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117 NUM PEAKS=26
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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118 265.2529 11366224.0
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recetox
parents:
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119 266.2564 1420444.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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120 279.6362 29849749.0
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recetox
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121 280.6546 8848921.0
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recetox
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122 288.6414 202172046.0
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123 378.2093 15309961.0
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recetox
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124 379.1966 2902366.0
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recetox
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125 522.3565 4089569222.0
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126 523.354 1201714423.0
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127 549.3267 63300808.0
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recetox
parents:
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128 576.2749 7386007.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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129 577.3074 2354251.0
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recetox
parents:
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130 617.2778 2323470.0
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recetox
parents:
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131 625.4543 4040374.0
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recetox
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132 796.9808 13576738.0
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recetox
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133 797.9841 6368973.0
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recetox
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134 809.9883 12596682.0
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135 810.9916 6601055.0
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recetox
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136 1043.7028 144351468.0
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recetox
parents:
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137 1044.7068 83271854.0
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recetox
parents:
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138 1045.706 27998321.0
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recetox
parents:
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139 1046.7131 6505178.0
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recetox
parents:
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140 1058.1594 20718345.0
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recetox
parents:
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141 1059.1626 6608764.0
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recetox
parents:
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142 1071.1639 15461047.0
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recetox
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143 1072.1671 5096642.0
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recetox
parents:
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144 END IONS
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
145
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
146 BEGIN IONS
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
147 NAME=C004
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
148 IONMODE=Negative
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
149 RETENTIONTIME=473.48
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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150 RETENTIONINDEX=
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recetox
parents:
diff changeset
151 SPECTRUMTYPE=Centroid
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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152 NUM PEAKS=24
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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153 124.1405 6517662.0
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recetox
parents:
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154 170.2437 1237313.0
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recetox
parents:
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155 275.6336 28001849.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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156 296.147 190395687.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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157 482.3247 145772322.0
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recetox
parents:
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158 483.3283 36245876.0
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recetox
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159 496.34 12577588056.0
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recetox
parents:
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160 497.3442 3337125302.0
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recetox
parents:
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161 498.3462 532285213.0
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recetox
parents:
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162 499.3493 68176083.0
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recetox
parents:
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163 770.964 49250157.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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164 771.9675 22666873.0
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recetox
parents:
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165 783.9721 9839299.0
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recetox
parents:
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166 784.9749 3622908.0
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recetox
parents:
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167 949.6233 8009033.0
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recetox
parents:
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168 950.6274 3674694.0
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recetox
parents:
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169 991.6726 1420557258.0
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recetox
parents:
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170 992.6749 763118028.0
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recetox
parents:
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171 993.6787 239161906.0
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recetox
parents:
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172 994.6801 53549573.0
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recetox
parents:
diff changeset
173 1017.6897 168186952.0
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recetox
parents:
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174 1018.6656 120599518.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
175 1019.6555 57647644.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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176 1020.6591 12469103.0
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recetox
parents:
diff changeset
177 END IONS
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
178
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
179 BEGIN IONS
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
180 NAME=C005
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
181 IONMODE=Negative
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
182 RETENTIONTIME=41.72
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
183 RETENTIONINDEX=
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
184 SPECTRUMTYPE=Centroid
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
185 NUM PEAKS=20
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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186 218.1386 14009249.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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187 337.0623 88672453.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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188 338.0654 8770055.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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189 353.0361 37061354.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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190 359.0443 48435582.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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191 360.0459 5025128.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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192 375.018 29159485.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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193 376.0216 2740193.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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194 381.0261 13522755.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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195 396.9999 10317665.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
196 417.0027 13822994.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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197 418.9966 4386311.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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parents:
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198 432.9764 9779399.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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199 438.9851 11307111.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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200 440.9796 3364168.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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201 454.9592 9820452.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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202 456.9603 3774845.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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203 470.9263 3632486.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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204 512.8989 4072570.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
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205 572.871 3485486.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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206 END IONS
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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207
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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208 BEGIN IONS
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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209 NAME=C006
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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210 IONMODE=Negative
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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211 RETENTIONTIME=452.08
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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212 RETENTIONINDEX=
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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213 SPECTRUMTYPE=Centroid
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
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214 NUM PEAKS=19
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
215 265.6196 4371245.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
216 274.6257 21694276.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
217 290.6256 9704443.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
218 471.1945 2160605.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
219 484.3311 5283943.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
220 494.3249 803829845.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
221 495.3278 207959661.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
222 516.3076 24092471.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
223 542.3239 193323900.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
224 543.3276 55501736.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
225 987.6411 7453650.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
226 988.6455 3739523.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
227 1001.658 11852076.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
228 1037.6578 7076912.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
229 1061.6562 9417442.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
230 1062.6592 5657208.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
231 1087.6715 34676828.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
232 1088.6773 21466528.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
recetox
parents:
diff changeset
233 1089.682 9948820.0
ea891750acfc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 970c7dc210faacd545c740ddae0e5e78c2cecce4
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234 END IONS