Table 2 Summary of validation and prediction performance based on DT-Cubist in 15 phenotypes for tea quality-related metabolites.

Phenotypes		Observed values (mg cm⁻²)			DT-cubist																		Model performance^a
Phenotypes		Observed values (mg cm⁻²)			RPDv			R²v			RMSEv (mg cm⁻²)			RPDp			R²p			RMSEp (mg cm⁻²)			Model performance^a
Catechins	GC	21.2	±	13.7	2.22	±	0.30	0.79	±	0.06	5.96	±	1.01	2.10	±	0.30	0.78	±	0.06	6.70	±	0.90	Accurate
	C	5.3	±	3.3	1.56	±	0.20	0.59	±	0.11	2.20	±	0.43	1.50	±	0.20	0.58	±	0.10	2.10	±	0.30	Acceptable
	CG	7.5	±	4.2	1.18	±	0.11	0.29	±	0.12	3.56	±	0.56	1.10	±	0.10	0.21	±	0.09	3.80	±	0.50	Poor
	EC	67.4	±	53.2	2.23	±	0.38	0.80	±	0.07	23.86	±	4.80	2.00	±	0.30	0.77	±	0.06	27.70	±	4.70	Accurate
	ECG	119.3	±	77.2	2.17	±	0.29	0.79	±	0.06	33.66	±	5.82	2.00	±	0.20	0.77	±	0.06	40.00	±	5.30	Accurate
	EGC	317.6	±	212.1	2.80	±	0.37	0.87	±	0.04	75.34	±	10.80	2.70	±	0.40	0.86	±	0.03	80.70	±	10.00	Accurate
	EGCG	320.6	±	107.9	1.50	±	0.19	0.55	±	0.11	71.87	±	10.26	1.50	±	0.20	0.54	±	0.09	72.80	±	8.70	Acceptable
	EGCG3Me	10.8	±	7.4	1.44	±	0.17	0.54	±	0.11	5.08	±	0.78	1.40	±	0.10	0.47	±	0.11	5.70	±	0.70	Poor
	Total	869.7	±	423.2	2.46	±	0.46	0.83	±	0.06	171.14	±	30.96	2.50	±	0.40	0.84	±	0.05	175.70	±	28.30	Accurate
FAAs	Asp	15.4	±	10.7	2.18	±	0.31	0.80	±	0.06	5.02	±	0.62	2.20	±	0.30	0.81	±	0.05	4.80	±	0.50	Accurate
	Glu	17.6	±	8.8	1.70	±	0.18	0.66	±	0.07	5.10	±	0.54	1.70	±	0.20	0.68	±	0.07	5.20	±	0.50	Acceptable
	Arg	51.1	±	70.9	1.88	±	0.32	0.71	±	0.10	39.16	±	7.60	1.80	±	0.30	0.67	±	0.11	41.00	±	7.30	Acceptable
	Thea	69.9	±	65.3	1.98	±	0.26	0.74	±	0.07	33.52	±	4.89	2.00	±	0.30	0.74	±	0.08	34.10	±	4.70	Acceptable
	Total	181.2	±	171.7	2.25	±	0.34	0.80	±	0.06	78.23	±	11.12	2.20	±	0.30	0.78	±	0.06	81.00	±	11.00	Accurate
Caffeine		183.4	±	68.7	1.39	±	0.19	0.48	±	0.13	49.58	±	8.35	1.40	±	0.20	0.50	±	0.11	51.80	±	6.90	Acceptable

“v” and “p” in each index means validation and prediction, respectively.
^aPrediction performance is represented as described by Chang et al., (2001); RPDp > 2.0, accurate prediction; 1.4 < RPDp < 2.0, acceptable prediction; RPDp < 1.4, poor prediction.

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