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. 2018 May 24;6:184. doi: 10.3389/fchem.2018.00184

Table 6.

Parameters and prediction difference of models for the amoxicillin capsule constructed using a spectral library.

Parameter Amoxicillin Model Water Model
Training set Test set Training set Test set
Number of samples 38 13 42 11
Content range (%, mg/mg) 7.97–84.40 8.05–84.31 1.42–12.80 1.89–12.60
Wavenumber range (cm−1) 7702.5–7124, 6549.3–5970.7, 4825.2–4246.6 9955.1–8848.1, 7752.7–7197.3
Preprocessing method 1st derivative + vector normalization 1st derivative + vector normalization
Rank 5 5
R2 (%) 99.91 99.38
RMSEP (%) 0.854 0.256
Samples whose prediction difference is >5% 0% (0/211) 0% (0/211)
Samples whose prediction difference is <1% 41.2% (87/211) 65.4% (138/211)
Average prediction difference 0.8% 0.4%