Table 2 Prediction performance for carbonization characteristics of PLSR models in NIR spectra with 1250–2300 nm region and comparison with OLSR models.

From: NIR-chemometric approaches for evaluating carbonization characteristics of hydrothermally carbonized lignin

Output variable

Spectrum pretreatment

PLSR

OLSR

PLS factors

Calibration

Prediction

Calibration

Prediction

 

R2c

RMSEC

R2p

RMSEP

R2c

RMSEC

R2p

RMSEP

C (wt%)

Original

8

0.987

0.1840

0.973

0.2590

0.999

0.0003

0.953

0.3440

2nd derivative

7

0.991

0.1486

0.976

0.2461

0.999

0.0003

0.940

0.3885

O/C

Original

6

0.974

0.0048

0.963

0.0057

0.999

0.0003

0.907

0.0091

2nd derivative

5

0.981

0.0041

0.964

0.0056

0.999

0.0003

0.874

0.0106

H/C

Original

7

0.990

0.0003

0.984

0.0004

0.992

0.0003

0.966

0.0006

2nd derivative

6

0.994

0.0003

0.984

0.0004

0.992

0.0003

0.912

0.0010

  1. PLSR partial least squares regression, OLSR ordinary least squares regression, R2c coefficient of determination for calibration, R2p coefficient of determination for prediction, RMSEC root mean square error of calibration, RMSEP root mean square error of prediction.