Samples for establishing NIRS model should be representative of
the commercial fermentation process of apple wine, and have the
expected variability within the scope of the NIR calibration procedure.
The calibration and prediction sets contained 120 and 40
samples, respectively, which were selected by the KennardeStone
algorithm in each set that covered the whole range of each chemical
parameter (Kennard & Stone, 1969; Valderrama et al., 2007).
The samples of prediction set were selected as external validation
(not used in calibration procedures) to evaluate the prediction
ability of calibration models.
The range, mean, coefficient of variation (CV) and pooled standard
error (PSE) for the alcohol strength and titratable acidity
measured in both calibration and prediction sets were listed in
Table 1. A calibration set containing 120 samples was used for
model development in the ranges from 0 to 126.3 mL/L for alcohol
strength, and from 2.08 to 8.92 g/L for titratable acidity, respectively.
The ranges in values measured were in accordance with
typical values expected in apple wines (Satora et al., 2014; Ye et al.,
2014). Concentration spots of alcohol strength and titratable acidity
in samples were plotted in Fig. 1. As can be seen from the Fig. 1,
there is a positive relationship between alcohol strength and
titratable acidity. This is because both of the two substances are
yeast metabolites in fermentation process, and can thus accumulate
continuously in apple wine samples. The statistics data showed
a considerable degree of variations in the content of alcohol
strength and titratable acidity, as indicated by the range and CV
Samples for establishing NIRS model should be representative ofthe commercial fermentation process of apple wine, and have theexpected variability within the scope of the NIR calibration procedure.The calibration and prediction sets contained 120 and 40samples, respectively, which were selected by the KennardeStonealgorithm in each set that covered the whole range of each chemicalparameter (Kennard & Stone, 1969; Valderrama et al., 2007).The samples of prediction set were selected as external validation(not used in calibration procedures) to evaluate the predictionability of calibration models.The range, mean, coefficient of variation (CV) and pooled standarderror (PSE) for the alcohol strength and titratable aciditymeasured in both calibration and prediction sets were listed inTable 1. A calibration set containing 120 samples was used formodel development in the ranges from 0 to 126.3 mL/L for alcoholstrength, and from 2.08 to 8.92 g/L for titratable acidity, respectively.The ranges in values measured were in accordance withtypical values expected in apple wines (Satora et al., 2014; Ye et al.,2014). Concentration spots of alcohol strength and titratable acidityin samples were plotted in Fig. 1. As can be seen from the Fig. 1,there is a positive relationship between alcohol strength andtitratable acidity. This is because both of the two substances areyeast metabolites in fermentation process, and can thus accumulatecontinuously in apple wine samples. The statistics data showeda considerable degree of variations in the content of alcoholstrength and titratable acidity, as indicated by the range and CV
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