Skip to main content

Table 3 Results of the PLSR models constructed using the three techniques

From: On-spot quantification of modafinil in generic medicines purchased from the Internet using handheld Fourier transform-infrared, near-infrared and Raman spectroscopy

Modelnumber F C:V ratio r2calib RMSEC (% m/m) r2 valid RMSEP (% m/m) RSEP (%)
FTIRM1 3 25:11 0.98 0.52 0.97 0.78 1.33
FTIRM2 1 12:60 0.51 11.24 0.49 11.61 29.9
FTIRM3 1 14:70 0.75 6.57 0.93 4.63 16.5
FTIRM4 4 60:20 0.84 6.29 0.80 7.03 19.8
NIRM1 1 25:11 0.72 8.45 0.70 8.82 23.3
NIRM2 1 12:60 0.84 5.26 0.84 5.25 15.2
NIRM3 3 14:70 0.99 1.15 0.99 1.21  3.45
NIRM4 1 60:20 0.77 1.77 0.69 2.05 3.51
NIRM5 1 48:16 0.69 1.91 0.76 1.71 2.85
RamanM1 1 25:11 0.70 8.49 0.80 6.74 19.0
RamanM2 1 12:60 0.84 5.52 0.83 6.57 17.8
RamanM3 1 14:70 0.76 7.62 0.83 9.16 23.9
RamanM4 4 60:20 0.98 0.54 0.95 0.82 1.40
RamanM5 4 48:16 0.94 0.96 0.93 0.91 12.1
  1. FTIRM1, NIRM1 and RamanM1 modafinil lactose dilution; FTIRM2, NIRM2 and RamanM2 modafinil excipients dilution; FTIRM3, NIRM3 and RamanM3 modafinil excipients sequential addition; FTIRM4, NIRM4 and RamanM4 modafinil powdered tablets model; NIRM5 and RamanM5 modafinil intact tablet model; C:V calibration:validation ratio; F number of factors, r2 correlation coefficient, RMSE:root mean square error