Table 5.

PLS regression model results for the P‐media out of the 2^nd study. 2D FL EEM at the end of the media preparation were correlated with LC‐MS data

Analyte	Range	R 2	Q 2	RMSEE	RMSEcv	Principal components
l‐methionine sulfoxide	44–100 [%]	0.98	0.83	2.40	7.50	3
Tyrosine variant	91–100 [%]	0.92	0.57	0.90	1.75	3
Taurine	86–100 [%]	0.84	0.56	1.56	2.37	2
Pyridoxamine	64–100 [%]	0.99	0.82	1.37	5.35	3
Pyridoxal	64–100 [%]	0.90	0.78	3.28	4.36	2
Cyanocobalamin	86–100 [%]	0.94	0.55	1.08	2.63	3
Riboflavin	83–100 [%]	0.99	0.81	0.60	2.98	4
5‐hydroxy‐l‐tryptophan	67–100 [%]	0.99	0.72	0.95	5.37	4
3‐amino‐propionamide	65–100 [%]	0.86	0.65	4.35	6.04	2

Q ², goodness of prediction; R ², goodness of fit; RMSEcv, root mean square error from cross‐validation; RMSEE, root mean square error of estimation.