Mercurial > repos > marie-tremblay-metatoul > 2dnmrannotation
comparison test-data/annotationJres.tabular @ 3:546c7ccd2ed4 draft default tip
"planemo upload for repository https://github.com/workflow4metabolomics/tools-metabolomics commit 911f4beba3dcb25c1033e8239426f8f763683523"
| author | workflow4metabolomics |
|---|---|
| date | Fri, 04 Feb 2022 09:01:11 +0000 |
| parents | dff7bde22102 |
| children |
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| 2:dff7bde22102 | 3:546c7ccd2ed4 |
|---|---|
| 1 ppm1 ppm2 Metabolite score | |
| 2 2.452 0 4_hydroxyphenylpropionic_acid 0.5 | |
| 3 2.452 -0.013 4_hydroxyphenylpropionic_acid 0.5 | |
| 4 2.452 0.013 4_hydroxyphenylpropionic_acid 0.5 | |
| 5 2.818 -0.013 4_hydroxyphenylpropionic_acid 0.5 | |
| 6 2.818 0.013 4_hydroxyphenylpropionic_acid 0.5 | |
| 7 1.487 0.006 alanine 1 | |
| 8 1.487 -0.006 alanine 1 | |
| 9 3.791 -0.006 alanine 1 | |
| 10 3.791 -0.018 alanine 1 | |
| 11 3.791 0.006 alanine 1 | |
| 12 3.791 0.018 alanine 1 | |
| 13 3.517 0.002 arabinose 0.348837209302326 | |
| 14 3.655 -0.013 arabinose 0.348837209302326 | |
| 15 3.655 0.013 arabinose 0.348837209302326 | |
| 16 3.671 -0.005 arabinose 0.348837209302326 | |
| 17 3.824 -0.011 arabinose 0.348837209302326 | |
| 18 3.824 0.005 arabinose 0.348837209302326 | |
| 19 3.824 -0.005 arabinose 0.348837209302326 | |
| 20 3.824 0.011 arabinose 0.348837209302326 | |
| 21 3.905 -0.012 arabinose 0.348837209302326 | |
| 22 3.905 -0.009 arabinose 0.348837209302326 | |
| 23 3.905 0.009 arabinose 0.348837209302326 | |
| 24 3.905 0.009 arabinose 0.348837209302326 | |
| 25 3.905 -0.012 arabinose 0.348837209302326 | |
| 26 3.905 -0.009 arabinose 0.348837209302326 | |
| 27 4.013 0.004 arabinose 0.348837209302326 | |
| 28 5.248 -0.002 arabinose 0.348837209302326 | |
| 29 5.248 0.003 arabinose 0.348837209302326 | |
| 30 2.881 -0.008 asparagine 1 | |
| 31 2.881 0.02 asparagine 1 | |
| 32 2.881 0.008 asparagine 1 | |
| 33 2.881 -0.02 asparagine 1 | |
| 34 2.961 0.01 asparagine 1 | |
| 35 2.961 -0.018 asparagine 1 | |
| 36 2.961 -0.011 asparagine 1 | |
| 37 2.961 0.018 asparagine 1 | |
| 38 4.014 -0.01 asparagine 1 | |
| 39 4.014 0.01 asparagine 1 | |
| 40 4.014 -0.002 asparagine 1 | |
| 41 4.014 0.002 asparagine 1 | |
| 42 2.694 0.007 Aspartic_acid 1 | |
| 43 2.694 0.022 Aspartic_acid 1 | |
| 44 2.694 -0.008 Aspartic_acid 1 | |
| 45 2.817 -0.011 Aspartic_acid 1 | |
| 46 2.817 0.011 Aspartic_acid 1 | |
| 47 2.817 0.018 Aspartic_acid 1 | |
| 48 2.817 -0.018 Aspartic_acid 1 | |
| 49 3.906 -0.01 Aspartic_acid 1 | |
| 50 3.906 0.01 Aspartic_acid 1 | |
| 51 3.906 -0.004 Aspartic_acid 1 | |
| 52 3.906 0.004 Aspartic_acid 1 | |
| 53 3.906 0.01 Aspartic_acid 1 | |
| 54 3.906 -0.01 Aspartic_acid 1 | |
| 55 3.273 0 betaine 1 | |
| 56 3.908 0 betaine 1 | |
| 57 0.898 -0.012 Butyric acid 0.916666666666667 | |
| 58 0.902 0 Butyric acid 0.916666666666667 | |
| 59 0.907 0.013 Butyric acid 0.916666666666667 | |
| 60 1.565 0.007 Butyric acid 0.916666666666667 | |
| 61 1.57 0.019 Butyric acid 0.916666666666667 | |
| 62 1.565 -0.03 Butyric acid 0.916666666666667 | |
| 63 1.565 -0.006 Butyric acid 0.916666666666667 | |
| 64 1.57 -0.018 Butyric acid 0.916666666666667 | |
| 65 2.165 0 Butyric acid 0.916666666666667 | |
| 66 2.17 0.013 Butyric acid 0.916666666666667 | |
| 67 2.17 -0.012 Butyric acid 0.916666666666667 | |
| 68 1.726 0.025 Cadaverine 0.615384615384615 | |
| 69 1.73 -0.026 Cadaverine 0.615384615384615 | |
| 70 1.729 0 Cadaverine 0.615384615384615 | |
| 71 1.729 0.013 Cadaverine 0.615384615384615 | |
| 72 1.731 -0.013 Cadaverine 0.615384615384615 | |
| 73 3.022 0.012 Cadaverine 0.615384615384615 | |
| 74 3.022 -0.012 Cadaverine 0.615384615384615 | |
| 75 3.024 0 Cadaverine 0.615384615384615 | |
| 76 2.426 -0.018 carnitine 0.611111111111111 | |
| 77 2.426 0.007 carnitine 0.611111111111111 | |
| 78 2.426 0.018 carnitine 0.611111111111111 | |
| 79 2.446 0.013 carnitine 0.611111111111111 | |
| 80 2.446 -0.013 carnitine 0.611111111111111 | |
| 81 2.445 0.027 carnitine 0.611111111111111 | |
| 82 2.445 0 carnitine 0.611111111111111 | |
| 83 2.445 -0.027 carnitine 0.611111111111111 | |
| 84 2.445 0 carnitine 0.611111111111111 | |
| 85 2.446 -0.038 carnitine 0.611111111111111 | |
| 86 2.445 -0.027 carnitine 0.611111111111111 | |
| 87 2.445 0.027 carnitine 0.611111111111111 | |
| 88 2.446 0.038 carnitine 0.611111111111111 | |
| 89 2.446 -0.013 carnitine 0.611111111111111 | |
| 90 2.446 0.013 carnitine 0.611111111111111 | |
| 91 2.465 -0.007 carnitine 0.611111111111111 | |
| 92 2.465 0.007 carnitine 0.611111111111111 | |
| 93 2.465 0.019 carnitine 0.611111111111111 | |
| 94 2.465 0.019 carnitine 0.611111111111111 | |
| 95 2.465 -0.007 carnitine 0.611111111111111 | |
| 96 2.465 -0.019 carnitine 0.611111111111111 | |
| 97 2.465 0.007 carnitine 0.611111111111111 | |
| 98 3.234 0 carnitine 0.611111111111111 | |
| 99 3.422 0.015 carnitine 0.611111111111111 | |
| 100 3.422 -0.015 carnitine 0.611111111111111 | |
| 101 3.434 0 carnitine 0.611111111111111 | |
| 102 3.422 -0.009 carnitine 0.611111111111111 | |
| 103 3.438 -0.008 carnitine 0.611111111111111 | |
| 104 3.438 0.008 carnitine 0.611111111111111 | |
| 105 3.209 -0.001 CholineChloride 0.714285714285714 | |
| 106 3.529 0.008 CholineChloride 0.714285714285714 | |
| 107 3.529 -0.008 CholineChloride 0.714285714285714 | |
| 108 4.069 0 CholineChloride 0.714285714285714 | |
| 109 4.069 0.009 CholineChloride 0.714285714285714 | |
| 110 3.937 0 creatine 0.5 | |
| 111 2.454 -0.013 Desaminotyrosine 0.4 | |
| 112 2.454 0.013 Desaminotyrosine 0.4 | |
| 113 2.822 -0.013 Desaminotyrosine 0.4 | |
| 114 2.822 0.012 Desaminotyrosine 0.4 | |
| 115 2.729 0 Dimethylamine 1 | |
| 116 3.741 0 Dimethylglycine 0.333333333333333 | |
| 117 6.519 0 Fumaric acid 1 | |
| 118 3.5 -0.002 galactose 0.473684210526316 | |
| 119 3.498 0.015 galactose 0.473684210526316 | |
| 120 3.658 -0.011 galactose 0.473684210526316 | |
| 121 3.658 -0.005 galactose 0.473684210526316 | |
| 122 3.658 0.005 galactose 0.473684210526316 | |
| 123 3.658 0.011 galactose 0.473684210526316 | |
| 124 3.723 -0.016 galactose 0.473684210526316 | |
| 125 3.723 0.016 galactose 0.473684210526316 | |
| 126 3.723 0.016 galactose 0.473684210526316 | |
| 127 3.723 -0.004 galactose 0.473684210526316 | |
| 128 3.723 -0.016 galactose 0.473684210526316 | |
| 129 3.723 0.004 galactose 0.473684210526316 | |
| 130 3.736 0 galactose 0.473684210526316 | |
| 131 3.76 -0.002 galactose 0.473684210526316 | |
| 132 3.762 0.008 galactose 0.473684210526316 | |
| 133 3.763 -0.009 galactose 0.473684210526316 | |
| 134 3.812 -0.012 galactose 0.473684210526316 | |
| 135 3.812 0.005 galactose 0.473684210526316 | |
| 136 3.812 -0.006 galactose 0.473684210526316 | |
| 137 3.812 0.012 galactose 0.473684210526316 | |
| 138 3.863 -0.012 galactose 0.473684210526316 | |
| 139 3.863 -0.006 galactose 0.473684210526316 | |
| 140 3.863 0.006 galactose 0.473684210526316 | |
| 141 3.863 0.012 galactose 0.473684210526316 | |
| 142 4.595 -0.007 galactose 0.473684210526316 | |
| 143 4.595 0.007 galactose 0.473684210526316 | |
| 144 5.274 -0.004 galactose 0.473684210526316 | |
| 145 5.274 0.004 galactose 0.473684210526316 | |
| 146 3.256 -0.014 glucose 0.8125 | |
| 147 3.255 0 glucose 0.8125 | |
| 148 3.422 0.016 glucose 0.8125 | |
| 149 3.411 0.016 glucose 0.8125 | |
| 150 3.422 -0.016 glucose 0.8125 | |
| 151 3.411 -0.016 glucose 0.8125 | |
| 152 3.422 0 glucose 0.8125 | |
| 153 3.475 0 glucose 0.8125 | |
| 154 3.475 -0.011 glucose 0.8125 | |
| 155 3.475 -0.005 glucose 0.8125 | |
| 156 3.475 0.005 glucose 0.8125 | |
| 157 3.475 0.011 glucose 0.8125 | |
| 158 3.475 0.015 glucose 0.8125 | |
| 159 3.502 -0.015 glucose 0.8125 | |
| 160 3.502 0 glucose 0.8125 | |
| 161 3.502 0.015 glucose 0.8125 | |
| 162 3.545 0.011 glucose 0.8125 | |
| 163 3.545 -0.005 glucose 0.8125 | |
| 164 3.545 0.005 glucose 0.8125 | |
| 165 3.545 -0.012 glucose 0.8125 | |
| 166 3.731 -0.015 glucose 0.8125 | |
| 167 3.721 -0.016 glucose 0.8125 | |
| 168 3.732 0.015 glucose 0.8125 | |
| 169 3.721 0.016 glucose 0.8125 | |
| 170 3.732 0.015 glucose 0.8125 | |
| 171 3.732 -0.006 glucose 0.8125 | |
| 172 3.731 -0.015 glucose 0.8125 | |
| 173 3.732 0.005 glucose 0.8125 | |
| 174 3.843 0.009 glucose 0.8125 | |
| 175 3.839 0.011 glucose 0.8125 | |
| 176 3.844 -0.01 glucose 0.8125 | |
| 177 3.839 -0.011 glucose 0.8125 | |
| 178 3.901 -0.012 glucose 0.8125 | |
| 179 3.901 -0.009 glucose 0.8125 | |
| 180 3.901 0.008 glucose 0.8125 | |
| 181 3.902 0.012 glucose 0.8125 | |
| 182 3.901 -0.012 glucose 0.8125 | |
| 183 3.901 -0.009 glucose 0.8125 | |
| 184 4.655 0.007 glucose 0.8125 | |
| 185 4.655 -0.006 glucose 0.8125 | |
| 186 5.243 -0.003 glucose 0.8125 | |
| 187 5.243 0.003 glucose 0.8125 | |
| 188 3.656 -0.013 glycerol 0.666666666666667 | |
| 189 3.656 -0.006 glycerol 0.666666666666667 | |
| 190 3.656 0.006 glycerol 0.666666666666667 | |
| 191 3.791 -0.011 glycerol 0.666666666666667 | |
| 192 3.791 0 glycerol 0.666666666666667 | |
| 193 3.791 0.01 glycerol 0.666666666666667 | |
| 194 3.791 -0.007 glycerol 0.666666666666667 | |
| 195 3.791 -0.018 glycerol 0.666666666666667 | |
| 196 3.791 0.007 glycerol 0.666666666666667 | |
| 197 3.791 0.018 glycerol 0.666666666666667 | |
| 198 3.568 0 glycine 1 | |
| 199 3.969 0 hippuric_acid 1 | |
| 200 7.555 0.013 hippuric_acid 1 | |
| 201 7.555 0 hippuric_acid 1 | |
| 202 7.555 -0.013 hippuric_acid 1 | |
| 203 7.642 0 hippuric_acid 1 | |
| 204 7.642 -0.013 hippuric_acid 1 | |
| 205 7.642 0.012 hippuric_acid 1 | |
| 206 7.836 -0.007 hippuric_acid 1 | |
| 207 7.836 0.007 hippuric_acid 1 | |
| 208 4.015 -0.011 Histidine 0.428571428571429 | |
| 209 4.015 0.01 Histidine 0.428571428571429 | |
| 210 4.015 -0.002 Histidine 0.428571428571429 | |
| 211 4.015 0.002 Histidine 0.428571428571429 | |
| 212 7.156 0 Histidine 0.428571428571429 | |
| 213 8.043 0 Histidine 0.428571428571429 | |
| 214 7.21 0.013 indoxylsulfate 0.545454545454545 | |
| 215 7.21 -0.013 indoxylsulfate 0.545454545454545 | |
| 216 7.21 0 indoxylsulfate 0.545454545454545 | |
| 217 7.283 -0.013 indoxylsulfate 0.545454545454545 | |
| 218 7.283 0.013 indoxylsulfate 0.545454545454545 | |
| 219 7.283 0 indoxylsulfate 0.545454545454545 | |
| 220 0.946 -0.012 Isoleucine 0.379310344827586 | |
| 221 0.948 0.012 Isoleucine 0.379310344827586 | |
| 222 0.949 0 Isoleucine 0.379310344827586 | |
| 223 1.017 0.007 Isoleucine 0.379310344827586 | |
| 224 1.017 -0.006 Isoleucine 0.379310344827586 | |
| 225 1.269 0.025 Isoleucine 0.379310344827586 | |
| 226 1.269 -0.024 Isoleucine 0.379310344827586 | |
| 227 1.269 -0.011 Isoleucine 0.379310344827586 | |
| 228 1.269 0.011 Isoleucine 0.379310344827586 | |
| 229 3.687 -0.004 Isoleucine 0.379310344827586 | |
| 230 3.683 0.003 Isoleucine 0.379310344827586 | |
| 231 1.333 0.006 Lactic acid 1 | |
| 232 1.333 -0.006 Lactic acid 1 | |
| 233 1.333 0.006 Lactic acid 1 | |
| 234 4.117 -0.017 Lactic acid 1 | |
| 235 4.118 0.017 Lactic acid 1 | |
| 236 4.117 -0.006 Lactic acid 1 | |
| 237 4.117 0.006 Lactic acid 1 | |
| 238 3.741 -0.005 mannose 0.3125 | |
| 239 3.741 -0.015 mannose 0.3125 | |
| 240 3.741 0.005 mannose 0.3125 | |
| 241 3.823 0.004 mannose 0.3125 | |
| 242 3.823 -0.004 mannose 0.3125 | |
| 243 3.856 -0.011 mannose 0.3125 | |
| 244 3.856 -0.005 mannose 0.3125 | |
| 245 3.856 0.005 mannose 0.3125 | |
| 246 3.856 0.011 mannose 0.3125 | |
| 247 3.91 -0.012 mannose 0.3125 | |
| 248 3.91 0.009 mannose 0.3125 | |
| 249 3.91 0.009 mannose 0.3125 | |
| 250 3.91 0.012 mannose 0.3125 | |
| 251 3.91 -0.012 mannose 0.3125 | |
| 252 3.943 0 mannose 0.3125 | |
| 253 3.956 0 mannose 0.3125 | |
| 254 3.544 0.011 myo_inositol 0.384615384615385 | |
| 255 3.544 -0.006 myo_inositol 0.384615384615385 | |
| 256 3.544 0.006 myo_inositol 0.384615384615385 | |
| 257 3.544 -0.011 myo_inositol 0.384615384615385 | |
| 258 4.073 0 myo_inositol 0.384615384615385 | |
| 259 2.012 -0.021 Proline 0.409090909090909 | |
| 260 2.011 -0.01 Proline 0.409090909090909 | |
| 261 2.012 0.01 Proline 0.409090909090909 | |
| 262 2.012 0.021 Proline 0.409090909090909 | |
| 263 2.011 0 Proline 0.409090909090909 | |
| 264 2.356 -0.004 Proline 0.409090909090909 | |
| 265 2.356 -0.017 Proline 0.409090909090909 | |
| 266 2.356 0.004 Proline 0.409090909090909 | |
| 267 2.356 0.018 Proline 0.409090909090909 | |
| 268 3.347 -0.009 Proline 0.409090909090909 | |
| 269 3.347 0.01 Proline 0.409090909090909 | |
| 270 3.423 0.001 Proline 0.409090909090909 | |
| 271 3.423 -0.009 Proline 0.409090909090909 | |
| 272 3.423 0.01 Proline 0.409090909090909 | |
| 273 4.141 0.013 Proline 0.409090909090909 | |
| 274 4.141 -0.013 Proline 0.409090909090909 | |
| 275 4.14 -0.002 Proline 0.409090909090909 | |
| 276 4.142 0.002 Proline 0.409090909090909 | |
| 277 3.275 0 taurine 0.333333333333333 | |
| 278 3.43 0 taurine 0.333333333333333 | |
| 279 1.34 0.005 threonine 1 | |
| 280 1.339 -0.006 threonine 1 | |
| 281 1.34 0.005 threonine 1 | |
| 282 3.603 0.004 threonine 1 | |
| 283 3.604 -0.005 threonine 1 | |
| 284 4.26 -0.01 threonine 1 | |
| 285 4.258 -0.02 threonine 1 | |
| 286 4.26 0.01 threonine 1 | |
| 287 4.259 0 threonine 1 | |
| 288 4.259 0.021 threonine 1 | |
| 289 4.063 -0.002 tryptophan 0.521739130434783 | |
| 290 7.204 0.012 tryptophan 0.521739130434783 | |
| 291 7.204 -0.012 tryptophan 0.521739130434783 | |
| 292 7.204 0 tryptophan 0.521739130434783 | |
| 293 7.288 -0.012 tryptophan 0.521739130434783 | |
| 294 7.288 0.013 tryptophan 0.521739130434783 | |
| 295 7.288 0 tryptophan 0.521739130434783 | |
| 296 7.334 0 tryptophan 0.521739130434783 | |
| 297 7.548 -0.006 tryptophan 0.521739130434783 | |
| 298 7.549 0.007 tryptophan 0.521739130434783 | |
| 299 7.738 -0.006 tryptophan 0.521739130434783 | |
| 300 7.738 0.006 tryptophan 0.521739130434783 | |
| 301 7.552 -0.006 Uracil 0.5 | |
| 302 7.552 0.007 Uracil 0.5 | |
| 303 0.998 -0.006 valine 0.75 | |
| 304 0.996 0.006 valine 0.75 | |
| 305 1.047 -0.006 valine 0.75 | |
| 306 1.047 0.006 valine 0.75 | |
| 307 2.279 -0.004 valine 0.75 | |
| 308 2.28 0.003 valine 0.75 | |
| 309 2.28 0.016 valine 0.75 | |
| 310 2.281 -0.016 valine 0.75 | |
| 311 2.28 -0.008 valine 0.75 | |
| 312 2.28 0.008 valine 0.75 | |
| 313 3.62 -0.004 valine 0.75 | |
| 314 3.62 0.004 valine 0.75 |