Table 4 (a) Validation results of PCR models for multiple age-linked peaks of three body fluids, (b) validation results of PLSR models for multiple age-linked peaks of three body fluids.

From: Analysis of the ex-vivo transformation of semen, saliva and urine as they dry out using ATR-FTIR spectroscopy and chemometric approach

Fluids

Cross-validation

External Prediction

RPD

R2

RMSECV (min)

R2

RMSEP (min)

(a) Principal component regression (PCR) analysis table

Semen (100%)

0.9935

0.2346

0.9939

0.2201

13.50

Semen (40%)

0.9390

0.7167

0.9415

0.6840

20.53

Saliva (100%)

0.9885

0.3742

0.9891

0.3568

9.64

Saliva (40%)

0.9973

0.1517

0.9973

0.1458

19.53

Urine (100%)

0.9948

0.2084

0.9951

0.1983

15.01

Urine (40%)

0.9518

0.7659

0.9532

0.7383

4.73

(b) Partial least square regression (PLSR) analysis table

Semen (100%)

0.9935

0.2333

0.9940

0.2189

13.57

Semen (40%)

0.9957

0.1897

0.9970

0.1546

19.26

Saliva (100%)

0.9889

0.3737

0.9891

0.3561

9.67

Saliva (40%)

0.9969

0.1618

0.9973

0.1457

20.44

Urine (100%)

0.9950

0.2055

0.9952

0.1953

15.24

Urine (40%)

0.9523

0.7622

0.9540

0.7327

4.78