Upload data: root
Browse files- .gitattributes +1 -0
- DOM_testing_set/Table_Pahokee_River_Fulvic_Acid.csv +939 -0
- DOM_testing_set/Table_Suwannee_River_Fulvic_Acid_2_v2.csv +1432 -0
- DOM_testing_set/Table_Suwannee_River_Fulvic_Acid_3.csv +1679 -0
- DOM_testing_set_Peaklists/PPFA/PPFA_neg_8M_0.5s_5ppm_aFTk_PeakList_Rec.csv +0 -0
- DOM_testing_set_Peaklists/SRFA2/SRFA2_neg_8M_0.5s_5ppm_aFTk_PeakList_Rec.csv +0 -0
- DOM_testing_set_Peaklists/SRFA3/SRFA3_neg_8M_0.5s_5ppm_aFTk_PeakList_Rec.csv +0 -0
- DOM_training_set_ver2/Table_Harney_River_1.csv +3 -0
- DOM_training_set_ver2/Table_Harney_River_2.csv +0 -0
- DOM_training_set_ver2/Table_Harney_River_3.csv +0 -0
- DOM_training_set_ver2/Table_Harney_River_4.csv +0 -0
- DOM_training_set_ver2/Table_Harney_River_5.csv +0 -0
- DOM_training_set_ver2/Table_Pantanal_11.csv +0 -0
- DOM_training_set_ver2/Table_Pantanal_7.csv +0 -0
- DOM_training_set_ver2/Table_Suwannee_River_Fulvic_Acid_2.csv +0 -0
- DOM_training_set_ver3/Table_Harney_River_1_21T.csv +0 -0
- DOM_training_set_ver3/Table_Harney_River_2_21T.csv +0 -0
- DOM_training_set_ver3/Table_Harney_River_3_21T.csv +0 -0
- DOM_training_set_ver3/Table_Harney_River_4_21T.csv +0 -0
- DOM_training_set_ver3/Table_Harney_River_5_21T.csv +0 -0
- DOM_training_set_ver3/Table_Suwannee_River_Fulvic_Acid_2_21T.csv +0 -0
- test.txt +0 -0
- train.txt +0 -0
.gitattributes
CHANGED
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@@ -58,3 +58,4 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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+
DOM_training_set_ver2/Table_Harney_River_1.csv filter=lfs diff=lfs merge=lfs -text
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DOM_testing_set/Table_Pahokee_River_Fulvic_Acid.csv
ADDED
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| 1 |
+
Origin,m/z exp.,Chem. Formula,m/z calc.,m/z error (ppm),Ion type
|
| 2 |
+
PPFA,157.12334,C9H18O2,157.12334,0.4031,[M-H]-
|
| 3 |
+
PPFA,167.107746,C10H16O2,167.107746,0.0461,[M-H]-
|
| 4 |
+
PPFA,171.139052,C10H20O2,171.139052,0.0076,[M-H]-
|
| 5 |
+
PPFA,173.118318,C9H18O3,173.118318,0.0022,[M-H]-
|
| 6 |
+
PPFA,177.092086,C11H14O2,177.092086,0.0951,[M-H]-
|
| 7 |
+
PPFA,185.118318,C10H18O3,185.118318,-0.0011,[M-H]-
|
| 8 |
+
PPFA,185.154685,C11H22O2,185.154685,0.1022,[M-H]-
|
| 9 |
+
PPFA,186.113575,C9H17NO3,186.113575,0.0406,[M-H]-
|
| 10 |
+
PPFA,187.133972,C10H20O3,187.133972,-0.0185,[M-H]-
|
| 11 |
+
PPFA,193.087038,C11H14O3,193.087038,-0.104,[M-H]-
|
| 12 |
+
PPFA,195.029906,C9H8O5,195.029906,-0.0449,[M-H]-
|
| 13 |
+
PPFA,197.045533,C9H10O5,197.045533,0.0687,[M-H]-
|
| 14 |
+
PPFA,197.081937,C10H14O4,197.081937,-0.0248,[M-H]-
|
| 15 |
+
PPFA,199.097564,C10H16O4,199.097564,0.0956,[M-H]-
|
| 16 |
+
PPFA,199.133966,C11H20O3,199.133966,0.0092,[M-H]-
|
| 17 |
+
PPFA,199.170363,C12H24O2,199.170363,-0.0464,[M-H]-
|
| 18 |
+
PPFA,201.11323,C10H18O4,201.11323,0.013,[M-H]-
|
| 19 |
+
PPFA,201.149653,C11H22O3,201.149653,-0.1713,[M-H]-
|
| 20 |
+
PPFA,203.071367,C12H12O3,203.071367,0.0056,[M-H]-
|
| 21 |
+
PPFA,205.050648,C11H10O4,205.050648,-0.0745,[M-H]-
|
| 22 |
+
PPFA,205.159795,C14H22O,205.159795,-0.0307,[M-H]-
|
| 23 |
+
PPFA,207.066259,C11H12O4,207.066259,0.1132,[M-H]-
|
| 24 |
+
PPFA,207.102643,C12H16O3,207.102643,0.1227,[M-H]-
|
| 25 |
+
PPFA,207.139034,C13H20O2,207.139034,0.0914,[M-H]-
|
| 26 |
+
PPFA,209.045545,C10H10O5,209.045545,0.0101,[M-H]-
|
| 27 |
+
PPFA,211.061222,C10H12O5,211.061222,-0.1199,[M-H]-
|
| 28 |
+
PPFA,211.097593,C11H16O4,211.097593,-0.0483,[M-H]-
|
| 29 |
+
PPFA,211.133956,C12H20O3,211.133956,0.059,[M-H]-
|
| 30 |
+
PPFA,212.035332,C12H7NO3,212.035332,-0.0717,[M-H]-
|
| 31 |
+
PPFA,213.055711,C13H10O3,213.055711,0.0301,[M-H]-
|
| 32 |
+
PPFA,213.113218,C11H18O4,213.113218,0.0675,[M-H]-
|
| 33 |
+
PPFA,213.149628,C12H22O3,213.149628,-0.0456,[M-H]-
|
| 34 |
+
PPFA,213.186021,C13H26O2,213.186021,-0.081,[M-H]-
|
| 35 |
+
PPFA,214.050972,C12H9NO3,214.050972,-0.0257,[M-H]-
|
| 36 |
+
PPFA,214.144878,C11H21NO3,214.144878,-0.052,[M-H]-
|
| 37 |
+
PPFA,215.034994,C12H8O4,215.034994,-0.0544,[M-H]-
|
| 38 |
+
PPFA,215.071373,C13H12O3,215.071373,-0.0264,[M-H]-
|
| 39 |
+
PPFA,215.092508,C10H16O5,215.092508,-0.0503,[M-H]-
|
| 40 |
+
PPFA,215.128898,C11H20O4,215.128898,-0.0715,[M-H]-
|
| 41 |
+
PPFA,215.16528,C12H24O3,215.16528,-0.0543,[M-H]-
|
| 42 |
+
PPFA,217.050616,C12H10O4,217.050616,0.0755,[M-H]-
|
| 43 |
+
PPFA,217.108143,C10H18O5,217.108143,0.0185,[M-H]-
|
| 44 |
+
PPFA,217.144524,C11H22O4,217.144524,0.0411,[M-H]-
|
| 45 |
+
PPFA,219.029904,C11H8O5,219.029904,-0.0304,[M-H]-
|
| 46 |
+
PPFA,219.087432,C9H16O6,219.087432,-0.0929,[M-H]-
|
| 47 |
+
PPFA,219.175455,C15H24O,219.175455,-0.0731,[M-H]-
|
| 48 |
+
PPFA,221.024385,C14H6O3,221.024385,0.1468,[M-H]-
|
| 49 |
+
PPFA,221.045561,C11H10O5,221.045561,-0.0616,[M-H]-
|
| 50 |
+
PPFA,221.081917,C12H14O4,221.081917,0.0713,[M-H]-
|
| 51 |
+
PPFA,221.118308,C13H18O3,221.118308,0.0455,[M-H]-
|
| 52 |
+
PPFA,221.154707,C14H22O2,221.154707,-0.0179,[M-H]-
|
| 53 |
+
PPFA,223.040111,C14H8O3,223.040111,-0.1957,[M-H]-
|
| 54 |
+
PPFA,223.061194,C11H12O5,223.061194,0.0138,[M-H]-
|
| 55 |
+
PPFA,225.055748,C14H10O3,225.055748,-0.1339,[M-H]-
|
| 56 |
+
PPFA,225.076844,C11H14O5,225.076844,0.0131,[M-H]-
|
| 57 |
+
PPFA,225.113232,C12H18O4,225.113232,0.0041,[M-H]-
|
| 58 |
+
PPFA,225.186006,C14H26O2,225.186006,-0.0116,[M-H]-
|
| 59 |
+
PPFA,226.050988,C13H9NO3,226.050988,-0.0951,[M-H]-
|
| 60 |
+
PPFA,227.035006,C13H8O4,227.035006,-0.1061,[M-H]-
|
| 61 |
+
PPFA,227.056094,C10H12O6,227.056094,0.0772,[M-H]-
|
| 62 |
+
PPFA,227.071375,C14H12O3,227.071375,-0.0307,[M-H]-
|
| 63 |
+
PPFA,227.128884,C12H20O4,227.128884,-0.0061,[M-H]-
|
| 64 |
+
PPFA,227.165259,C13H24O3,227.165259,0.0425,[M-H]-
|
| 65 |
+
PPFA,227.201644,C14H28O2,227.201644,0.0446,[M-H]-
|
| 66 |
+
PPFA,228.160517,C12H23NO3,228.160517,0.0015,[M-H]-
|
| 67 |
+
PPFA,229.050612,C13H10O4,229.050612,0.088,[M-H]-
|
| 68 |
+
PPFA,229.071801,C10H14O6,229.071801,-0.1713,[M-H]-
|
| 69 |
+
PPFA,229.087015,C14H14O3,229.087015,0.0116,[M-H]-
|
| 70 |
+
PPFA,229.108167,C11H18O5,229.108167,-0.0879,[M-H]-
|
| 71 |
+
PPFA,229.144548,C12H22O4,229.144548,-0.0686,[M-H]-
|
| 72 |
+
PPFA,229.180949,C13H26O3,229.180949,-0.1327,[M-H]-
|
| 73 |
+
PPFA,231.029907,C12H8O5,231.029907,-0.0415,[M-H]-
|
| 74 |
+
PPFA,231.087406,C10H16O6,231.087406,0.0237,[M-H]-
|
| 75 |
+
PPFA,231.123811,C11H20O5,231.123811,-0.0603,[M-H]-
|
| 76 |
+
PPFA,231.160187,C12H24O4,231.160187,-0.0201,[M-H]-
|
| 77 |
+
PPFA,232.025139,C11H7NO5,232.025139,0.0285,[M-H]-
|
| 78 |
+
PPFA,233.045514,C12H10O5,233.045514,0.1408,[M-H]-
|
| 79 |
+
PPFA,233.103077,C10H18O6,233.103077,-0.0649,[M-H]-
|
| 80 |
+
PPFA,233.154675,C15H22O2,233.154675,0.1213,[M-H]-
|
| 81 |
+
PPFA,234.040796,C11H9NO5,234.040796,0.0011,[M-H]-
|
| 82 |
+
PPFA,234.988443,C10H4O7,234.988443,-0.074,[M-H]-
|
| 83 |
+
PPFA,235.024848,C11H8O6,235.024848,-0.1573,[M-H]-
|
| 84 |
+
PPFA,235.040049,C15H8O3,235.040049,0.0806,[M-H]-
|
| 85 |
+
PPFA,235.061214,C12H12O5,235.061214,-0.0728,[M-H]-
|
| 86 |
+
PPFA,235.170366,C15H24O2,235.170366,-0.0523,[M-H]-
|
| 87 |
+
PPFA,236.056319,C11H11NO5,236.056319,0.5395,[M-H]-
|
| 88 |
+
PPFA,237.004061,C10H6O7,237.004061,0.0635,[M-H]-
|
| 89 |
+
PPFA,237.019306,C14H6O4,237.019306,0.1099,[M-H]-
|
| 90 |
+
PPFA,237.040464,C11H10O6,237.040464,-0.0102,[M-H]-
|
| 91 |
+
PPFA,237.055683,C15H10O3,237.055683,0.1453,[M-H]-
|
| 92 |
+
PPFA,237.076874,C12H14O5,237.076874,-0.1129,[M-H]-
|
| 93 |
+
PPFA,238.998552,C13H4O5,238.998552,0.1888,[M-H]-
|
| 94 |
+
PPFA,239.034939,C14H8O4,239.034939,0.1798,[M-H]-
|
| 95 |
+
PPFA,239.056121,C11H12O6,239.056121,-0.0374,[M-H]-
|
| 96 |
+
PPFA,239.071383,C15H12O3,239.071383,-0.0654,[M-H]-
|
| 97 |
+
PPFA,239.128879,C13H20O4,239.128879,0.0171,[M-H]-
|
| 98 |
+
PPFA,240.066609,C14H11NO3,240.066609,0.0337,[M-H]-
|
| 99 |
+
PPFA,241.035347,C10H10O7,241.035347,0.1193,[M-H]-
|
| 100 |
+
PPFA,241.050671,C14H10O4,241.050671,-0.159,[M-H]-
|
| 101 |
+
PPFA,241.071759,C11H14O6,241.071759,0.0133,[M-H]-
|
| 102 |
+
PPFA,241.144537,C13H22O4,241.144537,-0.0172,[M-H]-
|
| 103 |
+
PPFA,241.180952,C14H26O3,241.180952,-0.1412,[M-H]-
|
| 104 |
+
PPFA,242.009508,C12H5NO5,242.009508,-0.0496,[M-H]-
|
| 105 |
+
PPFA,242.030649,C9H9NO7,242.030649,-0.0963,[M-H]-
|
| 106 |
+
PPFA,242.176152,C13H25NO3,242.176152,-0.0615,[M-H]-
|
| 107 |
+
PPFA,242.993528,C12H4O6,242.993528,-0.0675,[M-H]-
|
| 108 |
+
PPFA,242.996924,C9H8O6S,242.996924,0.1737,[M-H]-
|
| 109 |
+
PPFA,243.014655,C9H8O8,243.014655,-0.0581,[M-H]-
|
| 110 |
+
PPFA,243.066256,C14H12O4,243.066256,0.1101,[M-H]-
|
| 111 |
+
PPFA,243.08742,C11H16O6,243.08742,-0.0358,[M-H]-
|
| 112 |
+
PPFA,243.123793,C12H20O5,243.123793,0.0163,[M-H]-
|
| 113 |
+
PPFA,243.160179,C13H24O4,243.160179,0.0144,[M-H]-
|
| 114 |
+
PPFA,244.025132,C12H7NO5,244.025132,0.0573,[M-H]-
|
| 115 |
+
PPFA,245.009168,C12H6O6,245.009168,-0.0252,[M-H]-
|
| 116 |
+
PPFA,245.103066,C11H18O6,245.103066,-0.0159,[M-H]-
|
| 117 |
+
PPFA,245.139477,C12H22O5,245.139477,-0.1214,[M-H]-
|
| 118 |
+
PPFA,246.004352,C11H5NO6,246.004352,0.2358,[M-H]-
|
| 119 |
+
PPFA,246.040807,C12H9NO5,246.040807,-0.0449,[M-H]-
|
| 120 |
+
PPFA,246.988438,C11H4O7,246.988438,-0.0499,[M-H]-
|
| 121 |
+
PPFA,247.024829,C12H8O6,247.024829,-0.0695,[M-H]-
|
| 122 |
+
PPFA,247.061225,C13H12O5,247.061225,-0.1134,[M-H]-
|
| 123 |
+
PPFA,247.118721,C11H20O6,247.118721,-0.0387,[M-H]-
|
| 124 |
+
PPFA,249.004087,C11H6O7,249.004087,-0.0444,[M-H]-
|
| 125 |
+
PPFA,249.019315,C15H6O4,249.019315,0.0704,[M-H]-
|
| 126 |
+
PPFA,249.040474,C12H10O6,249.040474,-0.0518,[M-H]-
|
| 127 |
+
PPFA,249.076871,C13H14O5,249.076871,-0.0961,[M-H]-
|
| 128 |
+
PPFA,249.14956,C15H22O3,249.14956,0.2337,[M-H]-
|
| 129 |
+
PPFA,250.035654,C11H9NO6,250.035654,0.2276,[M-H]-
|
| 130 |
+
PPFA,250.144885,C14H21NO3,250.144885,0.0727,[M-H]-
|
| 131 |
+
PPFA,251.034943,C15H8O4,251.034943,0.1582,[M-H]-
|
| 132 |
+
PPFA,251.056136,C12H12O6,251.056136,-0.0958,[M-H]-
|
| 133 |
+
PPFA,251.07133,C16H12O3,251.07133,0.1491,[M-H]-
|
| 134 |
+
PPFA,251.128884,C14H20O4,251.128884,-0.0036,[M-H]-
|
| 135 |
+
PPFA,251.201661,C16H28O2,251.201661,-0.028,[M-H]-
|
| 136 |
+
PPFA,252.014986,C10H7NO7,252.014986,-0.0445,[M-H]-
|
| 137 |
+
PPFA,252.996043,C6H10N2O5S2,252.996043,-0.8159,[M-H]-
|
| 138 |
+
PPFA,252.998963,C10H6O8,252.998963,0.1102,[M-H]-
|
| 139 |
+
PPFA,253.014251,C14H6O5,253.014251,-0.0164,[M-H]-
|
| 140 |
+
PPFA,253.050628,C15H10O4,253.050628,0.0173,[M-H]-
|
| 141 |
+
PPFA,253.086985,C16H14O3,253.086985,0.1317,[M-H]-
|
| 142 |
+
PPFA,253.144474,C14H22O4,253.144474,0.2334,[M-H]-
|
| 143 |
+
PPFA,254.993515,C13H4O6,254.993515,-0.0122,[M-H]-
|
| 144 |
+
PPFA,255.014638,C10H8O8,255.014638,0.0128,[M-H]-
|
| 145 |
+
PPFA,255.050993,C11H12O7,255.050993,0.132,[M-H]-
|
| 146 |
+
PPFA,255.087467,C12H16O6,255.087467,-0.2176,[M-H]-
|
| 147 |
+
PPFA,255.123779,C13H20O5,255.123779,0.0722,[M-H]-
|
| 148 |
+
PPFA,256.025172,C13H7NO5,256.025172,-0.1011,[M-H]-
|
| 149 |
+
PPFA,256.046267,C10H11NO7,256.046267,0.033,[M-H]-
|
| 150 |
+
PPFA,256.061475,C14H11NO4,256.061475,0.2185,[M-H]-
|
| 151 |
+
PPFA,257.009158,C13H6O6,257.009158,0.0131,[M-H]-
|
| 152 |
+
PPFA,257.066641,C11H14O7,257.066641,0.1366,[M-H]-
|
| 153 |
+
PPFA,257.103099,C12H18O6,257.103099,-0.1441,[M-H]-
|
| 154 |
+
PPFA,257.175816,C14H26O4,257.175816,0.0659,[M-H]-
|
| 155 |
+
PPFA,257.212226,C15H30O3,257.212226,-0.0304,[M-H]-
|
| 156 |
+
PPFA,258.040796,C13H9NO5,258.040796,-0.0018,[M-H]-
|
| 157 |
+
PPFA,258.171089,C13H25NO4,258.171089,-0.0267,[M-H]-
|
| 158 |
+
PPFA,258.98839,C12H4O7,258.98839,0.1401,[M-H]-
|
| 159 |
+
PPFA,259.02482,C13H8O6,259.02482,-0.0323,[M-H]-
|
| 160 |
+
PPFA,259.061222,C14H12O5,259.061222,-0.0966,[M-H]-
|
| 161 |
+
PPFA,259.082314,C11H16O7,259.082314,0.0476,[M-H]-
|
| 162 |
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PPFA,447.035975,C23H12O10,447.035975,-0.4574,[M-H]-
|
| 916 |
+
PPFA,447.129917,C22H24O10,447.129917,-0.5511,[M-H]-
|
| 917 |
+
PPFA,447.16622,C23H28O9,447.16622,-0.367,[M-H]-
|
| 918 |
+
PPFA,448.031213,C22H11NO10,448.031213,-0.4321,[M-H]-
|
| 919 |
+
PPFA,449.051613,C23H14O10,449.051613,-0.4286,[M-H]-
|
| 920 |
+
PPFA,449.109099,C21H22O11,449.109099,-0.3639,[M-H]-
|
| 921 |
+
PPFA,451.124707,C21H24O11,451.124707,-0.2702,[M-H]-
|
| 922 |
+
PPFA,451.161124,C22H28O10,451.161124,-0.3407,[M-H]-
|
| 923 |
+
PPFA,451.197481,C23H32O9,451.197481,-0.2758,[M-H]-
|
| 924 |
+
PPFA,453.009962,C21H10O12,453.009962,-0.0272,[M-H]-
|
| 925 |
+
PPFA,453.046422,C22H14O11,453.046422,-0.1923,[M-H]-
|
| 926 |
+
PPFA,455.192391,C22H32O10,455.192391,-0.2641,[M-H]-
|
| 927 |
+
PPFA,456.057227,C21H15NO11,456.057227,0.0157,[M-H]-
|
| 928 |
+
PPFA,458.999511,C23H8O11,458.999511,-0.2743,[M-H]-
|
| 929 |
+
PPFA,459.035846,C24H12O10,459.035846,-0.1646,[M-H]-
|
| 930 |
+
PPFA,461.051408,C24H14O10,461.051408,0.0273,[M-H]-
|
| 931 |
+
PPFA,463.067051,C24H16O10,463.067051,0.0407,[M-H]-
|
| 932 |
+
PPFA,463.124696,C22H24O11,463.124696,-0.2399,[M-H]-
|
| 933 |
+
PPFA,465.010074,C22H10O12,465.010074,-0.2685,[M-H]-
|
| 934 |
+
PPFA,465.046488,C23H14O11,465.046488,-0.3292,[M-H]-
|
| 935 |
+
PPFA,465.140395,C22H26O11,465.140395,-0.3438,[M-H]-
|
| 936 |
+
PPFA,467.025608,C22H12O12,467.025608,-0.0186,[M-H]-
|
| 937 |
+
PPFA,469.041454,C22H14O12,469.041454,-0.4361,[M-H]-
|
| 938 |
+
PPFA,469.077772,C23H18O11,469.077772,-0.2916,[M-H]-
|
| 939 |
+
PPFA,475.088398,C22H20O12,475.088398,-0.4183,[M-H]-
|
DOM_testing_set/Table_Suwannee_River_Fulvic_Acid_2_v2.csv
ADDED
|
@@ -0,0 +1,1432 @@
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|
| 1 |
+
Origin,m/z exp.,Chem. Formula,m/z calc.,m/z error (ppm),Ion type
|
| 2 |
+
SRFA2,157.014213,C6H6O5,157.014247,0.2164,[M-H]-
|
| 3 |
+
SRFA2,157.123423,C9H18O2,157.123403,-0.1257,[M-H]-
|
| 4 |
+
SRFA2,165.019334,C8H6O4,165.019332,-0.0104,[M-H]-
|
| 5 |
+
SRFA2,167.03499,C8H8O4,167.034982,-0.0435,[M-H]-
|
| 6 |
+
SRFA2,169.014246,C7H6O5,169.014247,0.0022,[M-H]-
|
| 7 |
+
SRFA2,171.139045,C10H20O2,171.139053,0.0509,[M-H]-
|
| 8 |
+
SRFA2,173.118335,C9H18O3,173.118318,-0.096,[M-H]-
|
| 9 |
+
SRFA2,175.076452,C11H12O2,175.076453,0.0075,[M-H]-
|
| 10 |
+
SRFA2,177.055691,C10H10O3,177.055718,0.1529,[M-H]-
|
| 11 |
+
SRFA2,177.092066,C11H14O2,177.092103,0.2104,[M-H]-
|
| 12 |
+
SRFA2,179.034971,C9H8O4,179.034982,0.0637,[M-H]-
|
| 13 |
+
SRFA2,181.050616,C9H10O4,181.050632,0.0921,[M-H]-
|
| 14 |
+
SRFA2,183.029907,C8H8O5,183.029897,-0.055,[M-H]-
|
| 15 |
+
SRFA2,185.118302,C10H18O3,185.118318,0.0841,[M-H]-
|
| 16 |
+
SRFA2,185.154677,C11H22O2,185.154703,0.1457,[M-H]-
|
| 17 |
+
SRFA2,187.133969,C10H20O3,187.133968,-0.0075,[M-H]-
|
| 18 |
+
SRFA2,189.019333,C10H6O4,189.019332,-0.0039,[M-H]-
|
| 19 |
+
SRFA2,189.113243,C9H18O4,189.113233,-0.0529,[M-H]-
|
| 20 |
+
SRFA2,190.99858,C9H4O5,190.998597,0.0863,[M-H]-
|
| 21 |
+
SRFA2,191.03498,C10H8O4,191.034982,0.0113,[M-H]-
|
| 22 |
+
SRFA2,191.071388,C11H12O3,191.071368,-0.1063,[M-H]-
|
| 23 |
+
SRFA2,191.10775,C12H16O2,191.107753,0.0178,[M-H]-
|
| 24 |
+
SRFA2,193.050668,C10H10O4,193.050632,-0.1844,[M-H]-
|
| 25 |
+
SRFA2,193.087041,C11H14O3,193.087018,-0.1173,[M-H]-
|
| 26 |
+
SRFA2,195.066328,C10H12O4,195.066282,-0.232,[M-H]-
|
| 27 |
+
SRFA2,195.139073,C12H20O2,195.139053,-0.1021,[M-H]-
|
| 28 |
+
SRFA2,197.009162,C8H6O6,197.009161,-0.0002,[M-H]-
|
| 29 |
+
SRFA2,197.045527,C9H10O5,197.045547,0.102,[M-H]-
|
| 30 |
+
SRFA2,197.081934,C10H14O4,197.081932,-0.0102,[M-H]-
|
| 31 |
+
SRFA2,199.133971,C11H20O3,199.133968,-0.0134,[M-H]-
|
| 32 |
+
SRFA2,201.055747,C12H10O3,201.055718,-0.1454,[M-H]-
|
| 33 |
+
SRFA2,201.09211,C13H14O2,201.092103,-0.0313,[M-H]-
|
| 34 |
+
SRFA2,201.113227,C10H18O4,201.113233,0.029,[M-H]-
|
| 35 |
+
SRFA2,201.149646,C11H22O3,201.149618,-0.1364,[M-H]-
|
| 36 |
+
SRFA2,202.998607,C10H4O5,202.998597,-0.0496,[M-H]-
|
| 37 |
+
SRFA2,203.071358,C12H12O3,203.071368,0.0476,[M-H]-
|
| 38 |
+
SRFA2,203.107784,C13H16O2,203.107753,-0.1492,[M-H]-
|
| 39 |
+
SRFA2,205.014281,C10H6O5,205.014247,-0.1652,[M-H]-
|
| 40 |
+
SRFA2,205.087038,C12H14O3,205.087018,-0.0971,[M-H]-
|
| 41 |
+
SRFA2,205.159801,C14H22O,205.159789,-0.0568,[M-H]-
|
| 42 |
+
SRFA2,207.029833,C10H8O5,207.029897,0.3084,[M-H]-
|
| 43 |
+
SRFA2,207.066261,C11H12O4,207.066282,0.1016,[M-H]-
|
| 44 |
+
SRFA2,207.102619,C12H16O3,207.102668,0.237,[M-H]-
|
| 45 |
+
SRFA2,209.045538,C10H10O5,209.045547,0.0407,[M-H]-
|
| 46 |
+
SRFA2,209.081921,C11H14O4,209.081932,0.0543,[M-H]-
|
| 47 |
+
SRFA2,209.118353,C12H18O3,209.118318,-0.1677,[M-H]-
|
| 48 |
+
SRFA2,209.154698,C13H22O2,209.154703,0.026,[M-H]-
|
| 49 |
+
SRFA2,211.024797,C9H8O6,211.024812,0.0698,[M-H]-
|
| 50 |
+
SRFA2,211.040084,C13H8O3,211.040068,-0.0765,[M-H]-
|
| 51 |
+
SRFA2,211.097616,C11H16O4,211.097583,-0.1599,[M-H]-
|
| 52 |
+
SRFA2,211.133954,C12H20O3,211.133968,0.0669,[M-H]-
|
| 53 |
+
SRFA2,211.170364,C13H24O2,211.170354,-0.0505,[M-H]-
|
| 54 |
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| 1338 |
+
SRFA2,533.203215,C27H34O11,533.202835,-0.7116,[M-H]-
|
| 1339 |
+
SRFA2,535.052096,C26H16O13,535.051814,-0.5275,[M-H]-
|
| 1340 |
+
SRFA2,535.073298,C23H20O15,535.072944,-0.6623,[M-H]-
|
| 1341 |
+
SRFA2,535.145964,C25H28O13,535.145715,-0.4662,[M-H]-
|
| 1342 |
+
SRFA2,535.182262,C26H32O12,535.1821,-0.3017,[M-H]-
|
| 1343 |
+
SRFA2,535.254959,C28H40O10,535.254871,-0.1635,[M-H]-
|
| 1344 |
+
SRFA2,537.031204,C25H14O14,537.031079,-0.2326,[M-H]-
|
| 1345 |
+
SRFA2,537.103993,C27H22O12,537.10385,-0.2665,[M-H]-
|
| 1346 |
+
SRFA2,537.125105,C24H26O14,537.124979,-0.2349,[M-H]-
|
| 1347 |
+
SRFA2,537.140456,C28H26O11,537.140235,-0.4106,[M-H]-
|
| 1348 |
+
SRFA2,537.161493,C25H30O13,537.161365,-0.2393,[M-H]-
|
| 1349 |
+
SRFA2,537.197903,C26H34O12,537.19775,-0.2846,[M-H]-
|
| 1350 |
+
SRFA2,537.234237,C27H38O11,537.234136,-0.188,[M-H]-
|
| 1351 |
+
SRFA2,539.046709,C25H16O14,539.046729,0.0365,[M-H]-
|
| 1352 |
+
SRFA2,539.083102,C26H20O13,539.083114,0.022,[M-H]-
|
| 1353 |
+
SRFA2,539.104199,C23H24O15,539.104244,0.0829,[M-H]-
|
| 1354 |
+
SRFA2,539.140759,C24H28O14,539.140629,-0.2417,[M-H]-
|
| 1355 |
+
SRFA2,539.177227,C25H32O13,539.177015,-0.3931,[M-H]-
|
| 1356 |
+
SRFA2,539.192485,C29H32O10,539.192271,-0.3975,[M-H]-
|
| 1357 |
+
SRFA2,541.099001,C26H22O13,541.098764,-0.438,[M-H]-
|
| 1358 |
+
SRFA2,541.135415,C27H26O12,541.13515,-0.4902,[M-H]-
|
| 1359 |
+
SRFA2,541.192965,C25H34O13,541.192665,-0.5541,[M-H]-
|
| 1360 |
+
SRFA2,541.208233,C29H34O10,541.207921,-0.5775,[M-H]-
|
| 1361 |
+
SRFA2,543.041883,C24H16O15,543.041643,-0.4418,[M-H]-
|
| 1362 |
+
SRFA2,543.078345,C25H20O14,543.078029,-0.5823,[M-H]-
|
| 1363 |
+
SRFA2,545.072761,C28H18O12,545.07255,-0.3877,[M-H]-
|
| 1364 |
+
SRFA2,545.094008,C25H22O14,545.093679,-0.6043,[M-H]-
|
| 1365 |
+
SRFA2,545.130444,C26H26O13,545.130064,-0.6957,[M-H]-
|
| 1366 |
+
SRFA2,545.203156,C28H34O11,545.202835,-0.5874,[M-H]-
|
| 1367 |
+
SRFA2,547.073381,C24H20O15,547.072944,-0.8004,[M-H]-
|
| 1368 |
+
SRFA2,547.146071,C26H28O13,547.145715,-0.6511,[M-H]-
|
| 1369 |
+
SRFA2,547.255193,C29H40O10,547.254871,-0.5888,[M-H]-
|
| 1370 |
+
SRFA2,549.088988,C24H22O15,549.088594,-0.718,[M-H]-
|
| 1371 |
+
SRFA2,549.104133,C28H22O12,549.10385,-0.5152,[M-H]-
|
| 1372 |
+
SRFA2,549.125353,C25H26O14,549.124979,-0.6807,[M-H]-
|
| 1373 |
+
SRFA2,549.198034,C27H34O12,549.19775,-0.5171,[M-H]-
|
| 1374 |
+
SRFA2,551.04709,C26H16O14,551.046729,-0.6551,[M-H]-
|
| 1375 |
+
SRFA2,551.141013,C25H28O14,551.140629,-0.6958,[M-H]-
|
| 1376 |
+
SRFA2,551.177368,C26H32O13,551.177015,-0.6413,[M-H]-
|
| 1377 |
+
SRFA2,551.249994,C28H40O11,551.249786,-0.3785,[M-H]-
|
| 1378 |
+
SRFA2,553.099137,C27H22O13,553.098764,-0.6738,[M-H]-
|
| 1379 |
+
SRFA2,553.12034,C24H26O15,553.119894,-0.807,[M-H]-
|
| 1380 |
+
SRFA2,553.135467,C28H26O12,553.13515,-0.5741,[M-H]-
|
| 1381 |
+
SRFA2,553.192995,C26H34O13,553.192665,-0.5967,[M-H]-
|
| 1382 |
+
SRFA2,553.229306,C27H38O12,553.22905,-0.463,[M-H]-
|
| 1383 |
+
SRFA2,555.078402,C26H20O14,555.078029,-0.6713,[M-H]-
|
| 1384 |
+
SRFA2,555.151301,C28H28O12,555.1508,-0.9031,[M-H]-
|
| 1385 |
+
SRFA2,557.094018,C26H22O14,557.093679,-0.6078,[M-H]-
|
| 1386 |
+
SRFA2,557.203272,C29H34O11,557.202835,-0.7834,[M-H]-
|
| 1387 |
+
SRFA2,559.146087,C27H28O13,559.145715,-0.6659,[M-H]-
|
| 1388 |
+
SRFA2,559.182493,C28H32O12,559.1821,-0.7031,[M-H]-
|
| 1389 |
+
SRFA2,561.088784,C25H22O15,561.088594,-0.3385,[M-H]-
|
| 1390 |
+
SRFA2,561.125116,C26H26O14,561.124979,-0.2448,[M-H]-
|
| 1391 |
+
SRFA2,561.198005,C28H34O12,561.19775,-0.4547,[M-H]-
|
| 1392 |
+
SRFA2,561.234498,C29H38O11,561.234136,-0.6461,[M-H]-
|
| 1393 |
+
SRFA2,563.068007,C24H20O16,563.067858,-0.2635,[M-H]-
|
| 1394 |
+
SRFA2,563.083142,C28H20O13,563.083114,-0.0494,[M-H]-
|
| 1395 |
+
SRFA2,563.140729,C26H28O14,563.140629,-0.1765,[M-H]-
|
| 1396 |
+
SRFA2,563.177206,C27H32O13,563.177015,-0.339,[M-H]-
|
| 1397 |
+
SRFA2,563.249994,C29H40O11,563.249786,-0.3704,[M-H]-
|
| 1398 |
+
SRFA2,565.083884,C24H22O16,565.083508,-0.6652,[M-H]-
|
| 1399 |
+
SRFA2,565.099116,C28H22O13,565.098764,-0.6217,[M-H]-
|
| 1400 |
+
SRFA2,565.120153,C25H26O15,565.119894,-0.4588,[M-H]-
|
| 1401 |
+
SRFA2,565.192897,C27H34O13,565.192665,-0.4104,[M-H]-
|
| 1402 |
+
SRFA2,565.229143,C28H38O12,565.22905,-0.1642,[M-H]-
|
| 1403 |
+
SRFA2,567.172321,C26H32O14,567.171929,-0.6901,[M-H]-
|
| 1404 |
+
SRFA2,569.057492,C26H18O15,569.057293,-0.3494,[M-H]-
|
| 1405 |
+
SRFA2,569.09393,C27H22O14,569.093679,-0.4414,[M-H]-
|
| 1406 |
+
SRFA2,569.130321,C28H26O13,569.130064,-0.4505,[M-H]-
|
| 1407 |
+
SRFA2,571.073135,C26H20O15,571.072944,-0.336,[M-H]-
|
| 1408 |
+
SRFA2,571.109435,C27H24O14,571.109329,-0.1859,[M-H]-
|
| 1409 |
+
SRFA2,571.145785,C28H28O13,571.145715,-0.1225,[M-H]-
|
| 1410 |
+
SRFA2,571.182221,C29H32O12,571.1821,-0.2126,[M-H]-
|
| 1411 |
+
SRFA2,573.089048,C26H22O15,573.088594,-0.793,[M-H]-
|
| 1412 |
+
SRFA2,573.125391,C27H26O14,573.124979,-0.7186,[M-H]-
|
| 1413 |
+
SRFA2,573.198189,C29H34O12,573.19775,-0.7654,[M-H]-
|
| 1414 |
+
SRFA2,575.083278,C29H20O13,575.083114,-0.2839,[M-H]-
|
| 1415 |
+
SRFA2,577.099079,C29H22O13,577.098764,-0.546,[M-H]-
|
| 1416 |
+
SRFA2,577.120148,C26H26O15,577.119894,-0.4408,[M-H]-
|
| 1417 |
+
SRFA2,577.192871,C28H34O13,577.192665,-0.3566,[M-H]-
|
| 1418 |
+
SRFA2,577.229275,C29H38O12,577.22905,-0.389,[M-H]-
|
| 1419 |
+
SRFA2,581.057397,C27H18O15,581.057293,-0.1785,[M-H]-
|
| 1420 |
+
SRFA2,581.093795,C28H22O14,581.093679,-0.1996,[M-H]-
|
| 1421 |
+
SRFA2,581.187738,C27H34O14,581.187579,-0.2735,[M-H]-
|
| 1422 |
+
SRFA2,583.073436,C27H20O15,583.072944,-0.8446,[M-H]-
|
| 1423 |
+
SRFA2,585.088566,C27H22O15,585.088594,0.0468,[M-H]-
|
| 1424 |
+
SRFA2,585.124986,C28H26O14,585.124979,-0.0123,[M-H]-
|
| 1425 |
+
SRFA2,585.161444,C29H30O13,585.161365,-0.1359,[M-H]-
|
| 1426 |
+
SRFA2,585.197848,C30H34O12,585.19775,-0.1666,[M-H]-
|
| 1427 |
+
SRFA2,587.068181,C26H20O16,587.067858,-0.5496,[M-H]-
|
| 1428 |
+
SRFA2,587.177366,C29H32O13,587.177015,-0.5976,[M-H]-
|
| 1429 |
+
SRFA2,593.187506,C28H34O14,593.187579,0.1244,[M-H]-
|
| 1430 |
+
SRFA2,593.223956,C29H38O13,593.223965,0.0145,[M-H]-
|
| 1431 |
+
SRFA2,599.068071,C27H20O16,599.067858,-0.3559,[M-H]-
|
| 1432 |
+
SRFA2,599.104384,C28H24O15,599.104244,-0.2345,[M-H]-
|
DOM_testing_set/Table_Suwannee_River_Fulvic_Acid_3.csv
ADDED
|
@@ -0,0 +1,1679 @@
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|
| 1 |
+
Origin,m/z exp.,Chem. Formula,m/z calc.,m/z error (ppm),Ion type
|
| 2 |
+
SRFA3,157.123399,C9H18O2,157.123399,0.0279,[M-H]-
|
| 3 |
+
SRFA3,159.066278,C7H12O4,159.066278,0.0293,[M-H]-
|
| 4 |
+
SRFA3,159.102661,C8H16O3,159.102661,0.0436,[M-H]-
|
| 5 |
+
SRFA3,165.019311,C8H6O4,165.019311,0.1305,[M-H]-
|
| 6 |
+
SRFA3,167.034982,C8H8O4,167.034982,0.0037,[M-H]-
|
| 7 |
+
SRFA3,169.014226,C7H6O5,169.014226,0.1224,[M-H]-
|
| 8 |
+
SRFA3,169.050688,C8H10O4,169.050688,-0.327,[M-H]-
|
| 9 |
+
SRFA3,171.029897,C7H8O5,171.029897,-0.0005,[M-H]-
|
| 10 |
+
SRFA3,171.06627,C8H12O4,171.06627,0.0711,[M-H]-
|
| 11 |
+
SRFA3,171.102696,C9H16O3,171.102696,-0.1636,[M-H]-
|
| 12 |
+
SRFA3,171.139037,C10H20O2,171.139037,0.0951,[M-H]-
|
| 13 |
+
SRFA3,173.045561,C7H10O5,173.045561,-0.0798,[M-H]-
|
| 14 |
+
SRFA3,173.081922,C8H14O4,173.081922,0.0585,[M-H]-
|
| 15 |
+
SRFA3,173.118337,C9H18O3,173.118337,-0.107,[M-H]-
|
| 16 |
+
SRFA3,175.061187,C7H12O5,175.061187,0.0562,[M-H]-
|
| 17 |
+
SRFA3,177.019336,C9H6O4,177.019336,-0.024,[M-H]-
|
| 18 |
+
SRFA3,177.055691,C10H10O3,177.055691,0.1492,[M-H]-
|
| 19 |
+
SRFA3,177.092072,C11H14O2,177.092072,0.1769,[M-H]-
|
| 20 |
+
SRFA3,178.998589,C8H4O5,178.998589,0.041,[M-H]-
|
| 21 |
+
SRFA3,179.03498,C9H8O4,179.03498,0.0137,[M-H]-
|
| 22 |
+
SRFA3,179.071331,C10H12O3,179.071331,0.2077,[M-H]-
|
| 23 |
+
SRFA3,181.014233,C8H6O5,181.014233,0.0783,[M-H]-
|
| 24 |
+
SRFA3,181.050614,C9H10O4,181.050614,0.1022,[M-H]-
|
| 25 |
+
SRFA3,181.087007,C10H14O3,181.087007,0.0588,[M-H]-
|
| 26 |
+
SRFA3,183.02991,C8H8O5,183.02991,-0.0731,[M-H]-
|
| 27 |
+
SRFA3,183.066293,C9H12O4,183.066293,-0.0555,[M-H]-
|
| 28 |
+
SRFA3,185.045545,C8H10O5,185.045545,0.0128,[M-H]-
|
| 29 |
+
SRFA3,185.081925,C9H14O4,185.081925,0.0387,[M-H]-
|
| 30 |
+
SRFA3,185.1183,C10H18O3,185.1183,0.0979,[M-H]-
|
| 31 |
+
SRFA3,185.154677,C11H22O2,185.154677,0.1451,[M-H]-
|
| 32 |
+
SRFA3,187.061224,C8H12O5,187.061224,-0.144,[M-H]-
|
| 33 |
+
SRFA3,187.097616,C9H16O4,187.097616,-0.1794,[M-H]-
|
| 34 |
+
SRFA3,187.133965,C10H20O3,187.133965,0.0163,[M-H]-
|
| 35 |
+
SRFA3,189.019343,C10H6O4,189.019343,-0.0584,[M-H]-
|
| 36 |
+
SRFA3,189.040462,C7H10O6,189.040462,0.0001,[M-H]-
|
| 37 |
+
SRFA3,189.055735,C11H10O3,189.055735,-0.0914,[M-H]-
|
| 38 |
+
SRFA3,189.076878,C8H14O5,189.076878,-0.1634,[M-H]-
|
| 39 |
+
SRFA3,189.113246,C9H18O4,189.113246,-0.0711,[M-H]-
|
| 40 |
+
SRFA3,190.998578,C9H4O5,190.998578,0.0987,[M-H]-
|
| 41 |
+
SRFA3,191.034991,C10H8O4,191.034991,-0.0436,[M-H]-
|
| 42 |
+
SRFA3,193.014252,C9H6O5,193.014252,-0.0263,[M-H]-
|
| 43 |
+
SRFA3,193.05068,C10H10O4,193.05068,-0.2453,[M-H]-
|
| 44 |
+
SRFA3,193.087053,C11H14O3,193.087053,-0.1809,[M-H]-
|
| 45 |
+
SRFA3,195.029899,C9H8O5,195.029899,0.0089,[M-H]-
|
| 46 |
+
SRFA3,195.066339,C10H12O4,195.066339,-0.2903,[M-H]-
|
| 47 |
+
SRFA3,195.102721,C11H16O3,195.102721,-0.27,[M-H]-
|
| 48 |
+
SRFA3,197.009167,C8H6O6,197.009167,-0.0302,[M-H]-
|
| 49 |
+
SRFA3,197.045503,C9H10O5,197.045503,0.2224,[M-H]-
|
| 50 |
+
SRFA3,197.081937,C10H14O4,197.081937,-0.0232,[M-H]-
|
| 51 |
+
SRFA3,197.154689,C12H22O2,197.154689,0.0735,[M-H]-
|
| 52 |
+
SRFA3,199.061155,C9H12O5,199.061155,0.2094,[M-H]-
|
| 53 |
+
SRFA3,201.019323,C11H6O4,201.019323,0.0435,[M-H]-
|
| 54 |
+
SRFA3,201.040462,C8H10O6,201.040462,0.0003,[M-H]-
|
| 55 |
+
SRFA3,201.05576,C12H10O3,201.05576,-0.211,[M-H]-
|
| 56 |
+
SRFA3,201.076891,C9H14O5,201.076891,-0.2178,[M-H]-
|
| 57 |
+
SRFA3,201.092093,C13H14O2,201.092093,0.0505,[M-H]-
|
| 58 |
+
SRFA3,201.113213,C10H18O4,201.113213,0.0965,[M-H]-
|
| 59 |
+
SRFA3,201.149647,C11H22O3,201.149647,-0.1416,[M-H]-
|
| 60 |
+
SRFA3,202.998601,C10H4O5,202.998601,-0.02,[M-H]-
|
| 61 |
+
SRFA3,203.035002,C11H8O4,203.035002,-0.0967,[M-H]-
|
| 62 |
+
SRFA3,203.056169,C8H12O6,203.056169,-0.2844,[M-H]-
|
| 63 |
+
SRFA3,203.07135,C12H12O3,203.07135,0.0855,[M-H]-
|
| 64 |
+
SRFA3,203.092491,C9H16O5,203.092491,0.0306,[M-H]-
|
| 65 |
+
SRFA3,205.01428,C10H6O5,205.01428,-0.1593,[M-H]-
|
| 66 |
+
SRFA3,205.050653,C11H10O4,205.050653,-0.1006,[M-H]-
|
| 67 |
+
SRFA3,205.08702,C12H14O3,205.08702,-0.008,[M-H]-
|
| 68 |
+
SRFA3,206.993432,C9H4O6,206.993432,0.3857,[M-H]-
|
| 69 |
+
SRFA3,207.029866,C10H8O5,207.029866,0.1482,[M-H]-
|
| 70 |
+
SRFA3,207.066276,C11H12O4,207.066276,0.0308,[M-H]-
|
| 71 |
+
SRFA3,207.102616,C12H16O3,207.102616,0.2501,[M-H]-
|
| 72 |
+
SRFA3,209.009183,C9H6O6,209.009183,-0.1028,[M-H]-
|
| 73 |
+
SRFA3,209.04553,C10H10O5,209.04553,0.0792,[M-H]-
|
| 74 |
+
SRFA3,209.081914,C11H14O4,209.081914,0.0892,[M-H]-
|
| 75 |
+
SRFA3,209.11836,C12H18O3,209.11836,-0.1998,[M-H]-
|
| 76 |
+
SRFA3,209.154695,C13H22O2,209.154695,0.0413,[M-H]-
|
| 77 |
+
SRFA3,211.024795,C9H8O6,211.024795,0.0797,[M-H]-
|
| 78 |
+
SRFA3,211.040108,C13H8O3,211.040108,-0.1918,[M-H]-
|
| 79 |
+
SRFA3,211.061224,C10H12O5,211.061224,-0.128,[M-H]-
|
| 80 |
+
SRFA3,211.097611,C11H16O4,211.097611,-0.1371,[M-H]-
|
| 81 |
+
SRFA3,211.133953,C12H20O3,211.133953,0.0721,[M-H]-
|
| 82 |
+
SRFA3,212.075046,C10H15NO2S,212.075046,-0.126,[M-H]-
|
| 83 |
+
SRFA3,213.004095,C8H6O7,213.004095,-0.0908,[M-H]-
|
| 84 |
+
SRFA3,213.019339,C12H6O4,213.019339,-0.0327,[M-H]-
|
| 85 |
+
SRFA3,213.040485,C9H10O6,213.040485,-0.1111,[M-H]-
|
| 86 |
+
SRFA3,213.055712,C13H10O3,213.055712,0.0262,[M-H]-
|
| 87 |
+
SRFA3,213.076841,C10H14O5,213.076841,0.0309,[M-H]-
|
| 88 |
+
SRFA3,213.113188,C11H18O4,213.113188,0.2081,[M-H]-
|
| 89 |
+
SRFA3,213.149626,C12H22O3,213.149626,-0.0376,[M-H]-
|
| 90 |
+
SRFA3,215.019699,C8H8O7,215.019699,0.1282,[M-H]-
|
| 91 |
+
SRFA3,215.035016,C12H8O4,215.035016,-0.1566,[M-H]-
|
| 92 |
+
SRFA3,215.056082,C9H12O6,215.056082,0.1357,[M-H]-
|
| 93 |
+
SRFA3,215.071381,C13H12O3,215.071381,-0.0591,[M-H]-
|
| 94 |
+
SRFA3,215.092531,C10H16O5,215.092531,-0.1552,[M-H]-
|
| 95 |
+
SRFA3,215.12892,C11H20O4,215.12892,-0.1742,[M-H]-
|
| 96 |
+
SRFA3,215.16528,C12H24O3,215.16528,-0.0541,[M-H]-
|
| 97 |
+
SRFA3,217.014226,C11H6O5,217.014226,0.0962,[M-H]-
|
| 98 |
+
SRFA3,217.050579,C12H10O4,217.050579,0.2477,[M-H]-
|
| 99 |
+
SRFA3,217.071783,C9H14O6,217.071783,-0.0987,[M-H]-
|
| 100 |
+
SRFA3,217.086994,C13H14O3,217.086994,0.1094,[M-H]-
|
| 101 |
+
SRFA3,217.108129,C10H18O5,217.108129,0.0834,[M-H]-
|
| 102 |
+
SRFA3,217.144497,C11H22O4,217.144497,0.1643,[M-H]-
|
| 103 |
+
SRFA3,218.993521,C10H4O6,218.993521,-0.0418,[M-H]-
|
| 104 |
+
SRFA3,219.029896,C11H8O5,219.029896,0.0034,[M-H]-
|
| 105 |
+
SRFA3,219.066265,C12H12O4,219.066265,0.0818,[M-H]-
|
| 106 |
+
SRFA3,219.102641,C13H16O3,219.102641,0.1234,[M-H]-
|
| 107 |
+
SRFA3,221.009209,C10H6O6,221.009209,-0.2161,[M-H]-
|
| 108 |
+
SRFA3,221.045554,C11H10O5,221.045554,-0.0309,[M-H]-
|
| 109 |
+
SRFA3,221.081895,C12H14O4,221.081895,0.1706,[M-H]-
|
| 110 |
+
SRFA3,221.118275,C13H18O3,221.118275,0.1928,[M-H]-
|
| 111 |
+
SRFA3,221.154698,C14H22O2,221.154698,0.0238,[M-H]-
|
| 112 |
+
SRFA3,222.98842,C9H4O7,222.98842,0.0271,[M-H]-
|
| 113 |
+
SRFA3,223.0248,C10H8O6,223.0248,0.0503,[M-H]-
|
| 114 |
+
SRFA3,223.061181,C11H12O5,223.061181,0.0727,[M-H]-
|
| 115 |
+
SRFA3,223.097572,C12H16O4,223.097572,0.0471,[M-H]-
|
| 116 |
+
SRFA3,223.134019,C13H20O3,223.134019,-0.2269,[M-H]-
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DOM_testing_set_Peaklists/PPFA/PPFA_neg_8M_0.5s_5ppm_aFTk_PeakList_Rec.csv
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DOM_testing_set_Peaklists/SRFA2/SRFA2_neg_8M_0.5s_5ppm_aFTk_PeakList_Rec.csv
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DOM_testing_set_Peaklists/SRFA3/SRFA3_neg_8M_0.5s_5ppm_aFTk_PeakList_Rec.csv
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DOM_training_set_ver2/Table_Harney_River_1.csv
ADDED
|
@@ -0,0 +1,3 @@
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|
|
|
|
|
|
|
|
|
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|
|
| 1 |
+
version https://git-lfs.github.com/spec/v1
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|
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size 17773926
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DOM_training_set_ver2/Table_Harney_River_2.csv
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DOM_training_set_ver2/Table_Harney_River_3.csv
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DOM_training_set_ver2/Table_Harney_River_4.csv
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DOM_training_set_ver2/Table_Harney_River_5.csv
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DOM_training_set_ver2/Table_Pantanal_11.csv
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DOM_training_set_ver2/Table_Pantanal_7.csv
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DOM_training_set_ver2/Table_Suwannee_River_Fulvic_Acid_2.csv
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DOM_training_set_ver3/Table_Harney_River_1_21T.csv
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DOM_training_set_ver3/Table_Harney_River_2_21T.csv
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DOM_training_set_ver3/Table_Harney_River_3_21T.csv
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DOM_training_set_ver3/Table_Harney_River_5_21T.csv
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DOM_training_set_ver3/Table_Suwannee_River_Fulvic_Acid_2_21T.csv
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test.txt
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train.txt
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