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Table 4
Bias between EIM-IRMS® and CS-qNMR instrumental analytical methods.
| Sample No. | Sample name | CS-qNMR | EIM-IRMS® | Difference in values (ppm) | Bias (%) | |||||
|---|---|---|---|---|---|---|---|---|---|---|
| (D/H)I* | (D/H)II* | Relative average Deuterium content from methyl and methylene group of ethanol (ppm vs. V-SMOW) [(D/H)I + (D/H)II]/2 | Ethanol δDn values (‰ vs. AAWES) | Intra-lab. repeatabilitySt.dev. (‰) | Relative deuterium content in ethylene (ppm vs. V-SMOW) [(δDn/6.42)+155.76]** | Intra-lab. Repeatability St.dev. (ppm) [δDn/6.42] | ||||
| 1 | Natural I | 105.81 | 135.35 | 120.58 | -199.25 | 0.21 | 124.71 | 0.03 | 4.13 | 3.43 |
| 2 | I-20 | 103.79 | 136.63 | 120.21 | -203.31 | 1.64 | 124.08 | 0.26 | 3.87 | 3.22 |
| 3 | I-30 | 102.78 | 131.65 | 117.22 | -204.64 | 0.84 | 123.88 | 0.13 | 6.66 | 5.68 |
| 4 | I-40 | 101.47 | 134.96 | 118.22 | -206.53 | 0.89 | 123.58 | 0.14 | 5.36 | 4.54 |
| 5 | I-50 | 100.72 | 134.06 | 117.39 | -207.79 | 1.11 | 123.38 | 0.17 | 6.00 | 5.11 |
| 6 | I-water15 | 103.61 | 130.22 | 116.92 | -210.58 | 0.25 | 122.95 | 0.04 | 6.04 | 5.16 |
| 7 | I-water20 | 103.08 | 127.51 | 115.30 | -214.05 | 2.02 | 122.41 | 0.31 | 7.12 | 6.17 |
| 8 | I-sugar syrup | 100.72 | 129.45 | 115.09 | -215.46 | 1.45 | 122.19 | 0.23 | 7.11 | 6.17 |
| 9 | Natural II | 103.27 | 133.87 | 118.57 | -207.28 | 0.59 | 123.46 | 0.09 | 4.89 | 4.13 |
| 10 | II-20 | 101.41 | 130.45 | 115.93 | -213.72 | 2.03 | 122.46 | 0.32 | 6.53 | 5.63 |
| 11 | II-30 | 100.07 | 134.47 | 117.27 | -216.32 | 1.02 | 122.06 | 0.16 | 4.79 | 4.08 |
| 12 | II-40 | 99.52 | 130.26 | 114.89 | -218.14 | 1.02 | 121.77 | 0.16 | 6.88 | 5.99 |
| 13 | II-50 | 98.56 | 129.97 | 114.27 | -219.46 | 1.20 | 121.57 | 0.19 | 7.30 | 6.39 |
| 14 | II-water15 | 104.91 | 132.72 | 118.82 | -218.44 | 1.30 | 121.73 | 0.20 | 2.91 | 2.45 |
| 15 | II-water20 | 102.53 | 131.78 | 117.16 | -220.61 | 0.88 | 121.39 | 0.14 | 4.23 | 3.61 |
| 16 | II-sugar syrup | 100.83 | 133.19 | 117.01 | -214.91 | 1.00 | 122.27 | 0.16 | 5.26 | 4.50 |
| 17 | Natural III | 99.78 | 131.81 | 115.80 | -215.11 | 0.02 | 122.24 | 0.003 | 6.45 | 5.57 |
| 18 | III-20 | 98.07 | 132.99 | 115.53 | -222.50 | 0.69 | 121.09 | 0.11 | 5.56 | 4.82 |
| 19 | III-30 | 97.68 | 131.10 | 114.39 | -224.62 | 1.80 | 120.76 | 0.28 | 6.37 | 5.57 |
| 20 | III-40 | 96.70 | 129.97 | 113.34 | -227.80 | 0.95 | 120.27 | 0.15 | 6.93 | 6.12 |
| 21 | III-50 | 96.26 | 129.82 | 113.04 | -228.74 | 1.37 | 120.12 | 0.21 | 7.08 | 6.27 |
| 22 | III-water15 | 100.15 | 129.51 | 114.83 | -223.60 | 1.27 | 120.92 | 0.20 | 6.09 | 5.30 |
| 23 | III-water20 | 98.15 | 129.72 | 113.94 | -228.22 | 1.51 | 120.20 | 0.24 | 6.26 | 5.50 |
| 24 | III-sugar syrup | 98.65 | 133.34 | 116.00 | -225.22 | 1.32 | 120.67 | 0.21 | 4.67 | 4.03 |
| Average: | 1.10 | 0.17 | 4.98 | |||||||
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