annotate test-data/remove_key/out_matchms_remove_key.msp @ 13:8a6bcc83171a draft

planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 4b8a43b863ff8a0ff1d5a08e516068853adf358d
author recetox
date Tue, 16 Apr 2024 11:28:02 +0000
parents 7d171a8c71dc
children
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7d171a8c71dc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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1 NAME: C001
7d171a8c71dc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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2 RETENTIONTIME: 38.74
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3 RETENTIONINDEX: -1
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4 SPECTRUMTYPE: Centroid
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101 1206.3127 3738816.0
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102 1216.8041 4439324.0
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103 1217.807 3565334.0
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104
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105 NAME: C003
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106 RETENTIONTIME: 483.67
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107 SPECTRUMTYPE: Centroid
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108 NUM PEAKS: 26
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109 265.2529 11366224.0
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110 266.2564 1420444.0
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111 279.6362 29849749.0
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112 280.6546 8848921.0
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113 288.6414 202172046.0
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114 378.2093 15309961.0
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115 379.1966 2902366.0
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116 522.3565 4089569222.0
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117 523.354 1201714423.0
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118 549.3267 63300808.0
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119 576.2749 7386007.0
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120 577.3074 2354251.0
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diff changeset
121 617.2778 2323470.0
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122 625.4543 4040374.0
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123 796.9808 13576738.0
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124 797.9841 6368973.0
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125 809.9883 12596682.0
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126 810.9916 6601055.0
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127 1043.7028 144351468.0
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128 1044.7068 83271854.0
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129 1045.706 27998321.0
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130 1046.7131 6505178.0
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parents:
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131 1058.1594 20718345.0
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parents:
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132 1059.1626 6608764.0
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parents:
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133 1071.1639 15461047.0
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parents:
diff changeset
134 1072.1671 5096642.0
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parents:
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135
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136 NAME: C004
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137 RETENTIONTIME: 473.48
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parents:
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138 SPECTRUMTYPE: Centroid
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diff changeset
139 NUM PEAKS: 24
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diff changeset
140 124.1405 6517662.0
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diff changeset
141 170.2437 1237313.0
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142 275.6336 28001849.0
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143 296.147 190395687.0
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144 482.3247 145772322.0
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145 483.3283 36245876.0
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diff changeset
146 496.34 12577588056.0
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147 497.3442 3337125302.0
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148 498.3462 532285213.0
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149 499.3493 68176083.0
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diff changeset
150 770.964 49250157.0
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151 771.9675 22666873.0
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152 783.9721 9839299.0
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153 784.9749 3622908.0
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155 950.6274 3674694.0
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157 992.6749 763118028.0
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158 993.6787 239161906.0
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159 994.6801 53549573.0
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160 1017.6897 168186952.0
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parents:
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161 1018.6656 120599518.0
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162 1019.6555 57647644.0
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163 1020.6591 12469103.0
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164
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166 RETENTIONTIME: 41.72
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167 SPECTRUMTYPE: Centroid
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168 NUM PEAKS: 20
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171 338.0654 8770055.0
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172 353.0361 37061354.0
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174 360.0459 5025128.0
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175 375.018 29159485.0
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176 376.0216 2740193.0
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177 381.0261 13522755.0
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178 396.9999 10317665.0
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179 417.0027 13822994.0
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180 418.9966 4386311.0
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181 432.9764 9779399.0
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182 438.9851 11307111.0
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183 440.9796 3364168.0
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184 454.9592 9820452.0
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186 470.9263 3632486.0
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188 572.871 3485486.0
7d171a8c71dc planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit f14275bfdc2caa760d71d307ca1803eab1adde76
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