Mercurial > repos > recetox > matchms_formatter

annotate test-data/subsetting/subsetting_output.msp @ 19:f7718efde4d5 draft

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planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit 19994ff091195ec6c7df791985b2a04ed5aba329
author recetox
date Mon, 04 Dec 2023 13:40:45 +0000
parents 37da26e798f2
children 34439ffa6a60
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37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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diff changeset
1 IONMODE: Negative
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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2 SPECTRUMTYPE: Centroid
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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3 COMPOUND_NAME: C001
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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4 RETENTION_TIME: 38.74
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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5 RETENTION_INDEX: -1
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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6 TOOL_USED: matchms
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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7 NUM PEAKS: 57
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
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96 1047.7378 150394804.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
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97 1048.7399 90978863.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
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98 1049.7432 29946438.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
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99 1050.7453 6807767.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
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100 1069.7158 5074652.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
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101 1074.1979 3402288.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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102 1075.1968 33352763.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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103 1076.2004 10417953.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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104 1101.6535 2023916.0
37da26e798f2 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
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
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106 1216.8041 4439324.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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107 1217.807 3565334.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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108
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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109 IONMODE: Negative
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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110 SPECTRUMTYPE: Centroid
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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111 COMPOUND_NAME: C004
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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112 RETENTION_TIME: 473.48
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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113 TOOL_USED: matchms
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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114 NUM PEAKS: 24
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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115 124.1405 6517662.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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116 170.2437 1237313.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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117 275.6336 28001849.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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118 296.147 190395687.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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119 482.3247 145772322.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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120 483.3283 36245876.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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121 496.34 12577588056.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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122 497.3442 3337125302.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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123 498.3462 532285213.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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124 499.3493 68176083.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
parents:
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125 770.964 49250157.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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126 771.9675 22666873.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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127 783.9721 9839299.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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128 784.9749 3622908.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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129 949.6233 8009033.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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130 950.6274 3674694.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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131 991.6726 1420557258.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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132 992.6749 763118028.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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133 993.6787 239161906.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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134 994.6801 53549573.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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135 1017.6897 168186952.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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136 1018.6656 120599518.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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137 1019.6555 57647644.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
recetox
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138 1020.6591 12469103.0
37da26e798f2 planemo upload for repository https://github.com/RECETOX/galaxytools/tree/master/tools/matchms commit a0565620150b69e0ca87aa686709c25356436f71
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139