Mercurial > repos > recetox > matchms_filtering

annotate test-data/subsetting/subsetting_output.msp @ 10:7b999731eb7f draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
author recetox
date Wed, 22 Nov 2023 14:42:06 +0000
parents
children 6161895506ff
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7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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1 IONMODE: Negative
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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2 SPECTRUMTYPE: Centroid
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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3 COMPOUND_NAME: C001
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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4 RETENTION_TIME: 38.74
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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5 RETENTION_INDEX: -1
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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6 TOOL_USED: matchms
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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7 NUM PEAKS: 57
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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66 IONMODE: Negative
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67 SPECTRUMTYPE: Centroid
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68 COMPOUND_NAME: C002
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69 RETENTION_TIME: 520.25
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71 TOOL_USED: matchms
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72 NUM PEAKS: 35
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recetox
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96 1047.7378 150394804.0
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97 1048.7399 90978863.0
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recetox
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recetox
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100 1069.7158 5074652.0
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recetox
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101 1074.1979 3402288.0
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recetox
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102 1075.1968 33352763.0
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recetox
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104 1101.6535 2023916.0
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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105 1206.3127 3738816.0
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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106 1216.8041 4439324.0
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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107 1217.807 3565334.0
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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108
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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109 IONMODE: Negative
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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110 SPECTRUMTYPE: Centroid
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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111 COMPOUND_NAME: C004
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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112 RETENTION_TIME: 473.48
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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113 TOOL_USED: matchms
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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114 NUM PEAKS: 24
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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115 124.1405 6517662.0
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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116 170.2437 1237313.0
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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117 275.6336 28001849.0
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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118 296.147 190395687.0
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119 482.3247 145772322.0
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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120 483.3283 36245876.0
7b999731eb7f planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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121 496.34 12577588056.0
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122 497.3442 3337125302.0
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123 498.3462 532285213.0
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124 499.3493 68176083.0
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recetox
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125 770.964 49250157.0
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recetox
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126 771.9675 22666873.0
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127 783.9721 9839299.0
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128 784.9749 3622908.0
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129 949.6233 8009033.0
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130 950.6274 3674694.0
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recetox
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131 991.6726 1420557258.0
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132 992.6749 763118028.0
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recetox
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133 993.6787 239161906.0
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134 994.6801 53549573.0
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135 1017.6897 168186952.0
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136 1018.6656 120599518.0
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137 1019.6555 57647644.0
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138 1020.6591 12469103.0
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139