Table 1.
Fit results for artificial mixture's noisy spectra, with correct values at top. There are five runs of 0.5% noise since the randomness of the noise affected the fit results. Note also that spectra with 0.1% random error appeared most similar to typical experimental spectra in our research. The spectra with 0.5% error used here would be considered noisy.
| Sucrose | Glucose | Fructose | YNB | Ethanol | Butanol | Acetone | Acetald. | Ac.acid | |
|---|---|---|---|---|---|---|---|---|---|
| Exact | 10.000 | 10.000 | 10.000 | 1.000 | 10.000 | 2.000 | 2.000 | 1.000 | 1.000 |
| #1 | 9.996 | 9.999 | 10.038 | 0.984 | 9.984 | 2.008 | 1.999 | 1.014 | 1.008 |
| #2 | 9.972 | 10.017 | 10.013 | 1.007 | 9.973 | 1.950 | 1.989 | 1.019 | 0.997 |
| #3 | 9.977 | 10.056 | 10.019 | 0.978 | 9.938 | 1.969 | 2.042 | 1.035 | 0.983 |
| #4 | 9.987 | 10.017 | 10.011 | 0.990 | 10.026 | 1.888 | 1.990 | 1.026 | 0.993 |
| #5 | 10.051 | 9.958 | 10.016 | 0.992 | 10.003 | 1.965 | 2.006 | 0.980 | 0.992 |
| avg | 9.997 | 10.009 | 10.019 | 0.990 | 9.985 | 1.956 | 2.005 | 1.015 | 0.995 |
| σn | 0.028 | 0.032 | 0.010 | 0.010 | 0.030 | 0.039 | 0.019 | 0.019 | 0.008 |
| erel | −0.03% | 0.09% | 0.19% | −1.0% | −0.15% | −2.2% | 0.25% | 1.5% | −0.50% |