Table 2 NIR statistical parameters for the calibration, cross-validation and prediction data of the measured Olea europaea L., leaves phenolic compounds.

From: Determination of the main phenolic compounds of olive (Olea europaea L.) leaves by near infrared spectroscopy (NIR)

Phenolic compound

Spectral range (cm−1)

Calibration model

Pre-process

Number of samples

R2cv

RMSEC

RMSECV

RMSEP

RPDc

RPD

RPDp

Oleuropein

11111.11 − 4000

CVP1

MSC − 1.5.9

Set 1 + 2

0.93

2.41

4.52

9.65

4.29

9.72

2.78

CVP2

Set 1

0.93

25.85

11.52

 

0.96

3.82

 

Set 2

   

11.51

  

2.22

Hydroxytyrosol

11111.11 − 4000

CVP1

MSC − 1.9.13

Set 1 + 2

0.93

0.16

0.16

0.15

4.58

4.89

2.80

CVP2

Set 1

       

Set 2

       

Hidroxytyrosol hexoside

13333.33 − 4000

CVP1

MSC − 1.9.5

Set 1 + 2

0.95

0.00

0.18

0.18

4.7

9.79

1.73

CVP2

Set 1

0.90

0.02

0.27

 

2.09

6.62

 

Set 2

   

0.27

  

1.73

Verbascoside

13,333.33 − 4000

CVP1

MSC − 1.9.5

Set 1 + 2

0.90

0.00002

0.9

0.89

3.91

4.20

1.40

CVP2

Set 1

0.90

0.38

0.95

 

1.46

3.94

 

Set 2

   

0.95

  

1.44

Apigenin-7-glucoside

11111.11 − 4000

CVP1

MSC − 1.5.5

Set 1 + 2

0.96

0.00

0.01

0.04

2.60

2.89

8.00

CVP2

Set 1

0.85

0.36

0.94

 

1.44

4.02

 

Set 2

   

0.93

  

1.48

  1. CVP, Calibration Validation Prediction; MSC, Multiplicative Scatter Correction; preprocessing applied to correct for light scattering in the samples. The three-digit code (a.b.c.) where ‘a’ refers to the number of the derivative (1 and 2), ‘b’ is the interval over which the derivative is calculated (5, 9, and 13), ‘c’ corresponds to the number of data points in a smoothing (5, 13, and 9). R2CV: coefficient of determination in cross validation; RMSEC, root mean squared error of calibration; RMSECV, root mean squared error of cross validation; RMSEP, root mean squared error of prediction; RPDc, residual predictive deviation (SD/SECV); RPD: calculated according to Yılmaz-Düzyaman et al.15; RPDp: SDcal/SEP.
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