annotate nmr_annotation2d/test-data/annotationHsqc.tabular @ 0:8035235e46c7 draft

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author marie-tremblay-metatoul
date Mon, 23 Dec 2019 09:26:20 -0500
parents
children a4d2b1926e13
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1 ppm1 ppm2 Metabolite score
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2 1.487 19.022 alanine 1
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3 3.791 53.343 alanine 1
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4 2.883 37.372 asparagine 1
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5 2.964 37.382 asparagine 1
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parents:
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6 4.016 54.04 asparagine 1
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7 2.694 39.367 Aspartic_acid 1
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marie-tremblay-metatoul
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8 2.816 39.387 Aspartic_acid 1
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marie-tremblay-metatoul
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9 3.905 54.962 Aspartic_acid 1
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parents:
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10 3.264 56.272 betaine 1
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11 3.901 69.074 betaine 1
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12 2.164 42.369 Butyric acid 0.333333333333333
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13 3.024 41.961 Cadaverine 0.333333333333333
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14 2.444 45.792 carnitine 1
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15 3.232 56.932 carnitine 1
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16 3.44 72.954 carnitine 1
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17 4.571 66.903 carnitine 1
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18 3.208 56.704 CholineChloride 0.666666666666667
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19 4.072 58.227 CholineChloride 0.666666666666667
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marie-tremblay-metatoul
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20 6.526 138.157 Fumaric acid 1
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marie-tremblay-metatoul
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21 3.015 42.093 gaba 0.333333333333333
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marie-tremblay-metatoul
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22 3.502 74.756 galactose 0.833333333333333
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marie-tremblay-metatoul
parents:
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23 3.661 75.593 galactose 0.833333333333333
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marie-tremblay-metatoul
parents:
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24 3.717 78.019 galactose 0.833333333333333
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marie-tremblay-metatoul
parents:
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25 3.815 71.175 galactose 0.833333333333333
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marie-tremblay-metatoul
parents:
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26 3.866 71.993 galactose 0.833333333333333
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marie-tremblay-metatoul
parents:
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27 3.942 71.619 galactose 0.833333333333333
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marie-tremblay-metatoul
parents:
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28 4 72.162 galactose 0.833333333333333
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marie-tremblay-metatoul
parents:
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29 4.096 73.292 galactose 0.833333333333333
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marie-tremblay-metatoul
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30 4.598 99.277 galactose 0.833333333333333
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marie-tremblay-metatoul
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31 5.277 95.132 galactose 0.833333333333333
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32 3.425 72.307 glucose 0.666666666666667
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33 3.46 78.647 glucose 0.666666666666667
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marie-tremblay-metatoul
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34 3.549 74.169 glucose 0.666666666666667
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marie-tremblay-metatoul
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35 3.745 63.514 glucose 0.666666666666667
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36 3.841 74.223 glucose 0.666666666666667
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37 3.847 63.4 glucose 0.666666666666667
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marie-tremblay-metatoul
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38 4.66 98.737 glucose 0.666666666666667
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marie-tremblay-metatoul
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39 5.252 94.768 glucose 0.666666666666667
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40 3.566 44.267 glycine 1
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41 3.967 46.611 hippuric_acid 1
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marie-tremblay-metatoul
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42 7.556 131.578 hippuric_acid 1
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43 7.643 135.065 hippuric_acid 1
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marie-tremblay-metatoul
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44 7.837 130.019 hippuric_acid 1
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marie-tremblay-metatoul
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45 3.209 30.164 Histidine 1
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marie-tremblay-metatoul
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46 3.29 30.194 Histidine 1
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marie-tremblay-metatoul
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47 4.014 57.269 Histidine 1
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parents:
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48 7.155 119.969 Histidine 1
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parents:
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49 8.04 138.39 Histidine 1
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50 0.944 14.001 Isoleucine 1
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51 1.017 17.526 Isoleucine 1
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52 1.27 27.262 Isoleucine 1
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53 1.479 27.34 Isoleucine 1
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marie-tremblay-metatoul
parents:
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54 1.987 38.709 Isoleucine 1
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marie-tremblay-metatoul
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55 3.68 62.433 Isoleucine 1
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marie-tremblay-metatoul
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56 1.336 22.913 Lactic acid 1
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marie-tremblay-metatoul
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57 4.12 71.318 Lactic acid 1
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58 2.009 26.543 Proline 1
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marie-tremblay-metatoul
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59 2.062 31.789 Proline 1
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marie-tremblay-metatoul
parents:
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60 2.357 31.817 Proline 1
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parents:
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61 3.346 48.831 Proline 1
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marie-tremblay-metatoul
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62 3.422 48.867 Proline 1
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marie-tremblay-metatoul
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63 4.14 63.947 Proline 1
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marie-tremblay-metatoul
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64 1.342 22.349 threonine 1
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marie-tremblay-metatoul
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65 3.609 63.354 threonine 1
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marie-tremblay-metatoul
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66 4.261 68.825 threonine 1
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parents:
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67 3.321 29.248 tryptophan 1
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marie-tremblay-metatoul
parents:
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68 3.492 29.268 tryptophan 1
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marie-tremblay-metatoul
parents:
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69 4.066 57.824 tryptophan 1
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marie-tremblay-metatoul
parents:
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70 7.209 122.251 tryptophan 1
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marie-tremblay-metatoul
parents:
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71 7.292 124.963 tryptophan 1
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marie-tremblay-metatoul
parents:
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72 7.337 127.891 tryptophan 1
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marie-tremblay-metatoul
parents:
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73 7.554 114.838 tryptophan 1
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marie-tremblay-metatoul
parents:
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74 7.743 121.238 tryptophan 1
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marie-tremblay-metatoul
parents:
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75 1 19.497 valine 0.75
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marie-tremblay-metatoul
parents:
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76 1.049 20.77 valine 0.75
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marie-tremblay-metatoul
parents:
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77 2.281 31.893 valine 0.75