Model: D0289000000       D0364000000       SssNH  													
													
Variable	Coeff.	Std.Coeff.	Co.Int.95%										
Intercept	5.1231		2.3891										
D0289000000     	-1.7435	-0.5364	0.4719										
D0364000000     	-0.0291	-0.5217	0.0081										
SssNH	0.8963	0.7254	0.1638										
													
													
(Fitting criteria)													
R2: 0.8263  		R2adj: 0.8142  		R2-R2adj: 0.0121  		LOF: 0.3354							
Kxx: 0.3041  		Delta K: 0.1177  		RMSE tr: 0.5052  		MAE tr: 0.3914							
RSS tr: 11.9954  		CCC tr: 0.9049  		s: 0.4987  		F: 68.1835							
													
(Internal validation criteria)													
Q2loo: 0.7804  		R2-Q2loo: 0.0459  		RMSE cv: 0.5680  		MAE cv: 0.4345							
PRESS cv: 15.1637  		CCC cv: 0.8813  											
Q2LMO: 0.7722  		R2Yscr: 0.0653  		Q2Yscr: -0.1207  		RMSE AV Yscr: 1.1715							
R2Xrnd:   		Q2Xrnd:   		R2Yrnd:   		Q2Yrnd: 							
													
(External validation criteria)													
RMSE ext: 0.4615  		MAE ext: 0.3743  		PRESS ext: 4.2595  		R2ext: 0.7764  							
Q2-F1: 0.7971  		Q2-F2: 0.7560  		Q2-F3: 0.8551  		CCC ext: 0.8807							
r2m aver.: 0.7611  		r2m delta: 0.0286											
													
													
Calc. external data regr. angle from diagonal: -2.9914													
													
Predictions by LOO:													
Exp(x) vs. Pred(y): R2: 0.7819  	R'2o: 0.7738  	k': 0.8505  	Clos': 0.0103  	r'2m: 0.7116 									
Pred(x) vs. Exp(y): R2: 0.7819  	R2o: 0.7817  	k: 0.9654  	Clos: 0.0002  	r2m: 0.7718 									
													
External predictions by model equation:													
Exp(x) vs. Pred(y): R2: 0.7764  	R'2o: 0.7750  	k': 0.9068  	Clos': 0.0019  	r'2m: 0.7468 									
Pred(x) vs. Exp(y): R2: 0.7764  	R2o: 0.7764  	k: 0.8623  	Clos: 0.0000  	r2m: 0.7754 									
													
													
ID	Name	Status	Exp. endpoint	Pred. by model eq.	Pred.Mod.Eq.Res.	Pred. LOO	Pred. LOO Res.	HAT i/i (h*=0.2553)	Std.Pred.Mod.Eq. Res.	Std.Pred.LOO Res.	PC1 (EV% = 51.82%)	PC2 (EV% = 29.04%)	PC3 (EV% = 19.14%)
1	S8000001	Training	-0.267	-0.3223	-0.0553	-0.3255	-0.0585	0.0543	-0.1077	-0.1139	-0.5826	-0.7934	-0.4045
2	S8000002	Training	0.432	-0.0928	-0.5248	-0.1223	-0.5543	0.0531	-1.0212	-1.0785	-0.7388	-0.8734	-0.1127
3	S8000003	Prediction	2.098	2.0263	-0.0717	-	-	0.1364	-0.146	-0.146	-1.8035	1.7793	-0.618
4	S8000004	Training	-0.725	-0.16	0.565	-0.1236	0.6014	0.0605	1.1036	1.1747	-0.8994	-0.8989	-0.2385
5	S8000005	Training	-0.679	-0.2523	0.4267	-0.229	0.45	0.0518	0.8296	0.875	-0.607	-0.7572	-0.3656
6	S8000006	Prediction	-0.578	-0.4029	0.1751	-	-	0.0702	0.3438	0.3438	-0.8788	-0.8957	-0.5287
7	S8000007	Training	-0.565	-0.3164	0.2486	-0.3027	0.2623	0.0524	0.4835	0.5103	-0.5411	-0.7178	-0.4544
8	S8000008	Prediction	-0.385	-0.4306	-0.0456	-	-	0.0643	-0.0893	-0.0893	-0.699	-0.7991	-0.5809
9	S8000009	Prediction	-0.323	-0.5696	-0.2466	-	-	0.0852	-0.4882	-0.4882	-0.969	-0.9446	-0.7222
10	S8000010	Training	-0.122	-0.3154	-0.1934	-0.3273	-0.2053	0.0581	-0.3773	-0.4006	-0.7012	-0.7849	-0.4555
11	S8000011	Prediction	-0.062	-0.3412	-0.2792	-	-	0.0585	-0.5448	-0.5448	-0.6779	-0.7682	-0.4935
12	S8000012	Training	-0.351	-0.4105	-0.0595	-0.4148	-0.0638	0.068	-0.1167	-0.1252	-0.8191	-0.8541	-0.5535
13	S8000013	Training	-0.663	-0.2384	0.4246	-0.2153	0.4477	0.0516	0.8255	0.8704	-0.6212	-0.7448	-0.3671
14	S8000014	Prediction	-0.358	-0.6255	-0.2675	-	-	0.0604	-0.5225	-0.5225	-0.0053	-0.4752	-0.8409
15	S8000015	Training	-0.078	-0.0545	0.0235	-0.0529	0.0251	0.0635	0.0459	0.049	-1.0517	-0.9088	-0.1657
16	S8000016	Training	-0.288	-0.5556	-0.2676	-0.5717	-0.2837	0.0567	-0.5217	-0.553	-0.1781	-0.5949	-0.7115
17	S8000017	Prediction	-0.484	-0.7543	-0.2703	-	-	0.0718	-0.5311	-0.5311	-0.0867	-0.5445	-0.9642
18	S8000018	Training	-0.376	-0.3385	0.0375	-0.3364	0.0396	0.053	0.073	0.0771	-0.5241	-0.752	-0.44
19	S8000019	Prediction	-0.212	-0.4061	-0.1941	-	-	0.0595	-0.379	-0.379	-0.6098	-0.7671	-0.5443
20	S8000020	Training	-0.468	-0.091	0.377	-0.0681	0.3999	0.0572	0.7352	0.7798	-0.8781	-0.8698	-0.174
21	S8000021	Training	-0.32	-0.6446	-0.3246	-0.6658	-0.3458	0.0612	-0.6343	-0.6757	-0.0766	-0.5609	-0.81
22	S8000022	Training	2.319	2.1865	-0.1325	2.1654	-0.1536	0.1371	-0.2701	-0.313	-1.4233	2.0339	-0.5118
23	S8000023	Training	2.364	2.0003	-0.3637	1.9362	-0.4278	0.1499	-0.7468	-0.8784	-1.933	1.8064	-0.7323
24	S8000024	Training	2.201	1.9203	-0.2807	1.8729	-0.3281	0.1445	-0.5745	-0.6715	-1.6813	1.8543	-0.769
25	S8000025	Training	2.35	2.5268	0.1768	2.5539	0.2039	0.1326	0.3595	0.4145	-1.3852	2.0974	-0.1436
26	S8000026	Training	2.04	2.4087	0.3687	2.4644	0.4244	0.1312	0.7489	0.862	-0.9903	2.1941	-0.2136
27	S8000027	Prediction	-0.168	-0.6946	-0.5266	-	-	0.0915	-1.046	-1.046	-0.9035	-0.9549	-0.8361
28	S8000028	Training	-1.142	-0.7782	0.3638	-0.7516	0.3904	0.0682	0.7136	0.7658	0.4627	-0.3262	-0.9734
29	S8000029	Training	-0.54	-0.4933	0.0467	-0.4909	0.0491	0.0488	0.0906	0.0953	0.0441	-0.4896	-0.6443
30	S8000030	Prediction	-0.806	-0.1797	0.6263	-	-	0.0483	1.2155	1.2155	-0.5895	-0.7296	-0.2969
31	S8000031	Training	-0.226	-0.4057	-0.1797	-0.4138	-0.1878	0.0431	-0.3479	-0.3636	0.0537	-0.4971	-0.5261
32	S8000032	Training	2.251	3.3559	1.1049	3.7459	1.4949	0.2609	2.4334	3.2923	-3.2658	0.4256	1.7147
33	S9000001	Training	1.282	1.0951	-0.1869	1.0778	-0.2042	0.0847	-0.3699	-0.4041	-0.0575	-0.5375	1.2947
34	S9000002	Training	0.797	1.3272	0.5302	1.3885	0.5915	0.1036	1.0603	1.1829	0.2647	-0.3468	1.5271
35	S9000003	Training	0.972	0.8844	-0.0876	0.8786	-0.0934	0.0623	-0.1713	-0.1827	0.0313	-0.4916	1.0308
36	S9000004	Prediction	0.618	0.4334	-0.1846	-	-	0.0421	-0.3571	-0.3571	-0.3511	-0.6531	0.4768
37	S9000005	Prediction	0.148	0.9285	0.7805	-	-	0.0511	1.5171	1.5171	0.5682	-0.0799	0.9074
38	S9000006	Prediction	-0.084	0.5258	0.6098	-	-	0.0393	1.1778	1.1778	0.0584	-0.4916	0.6054
39	S9000007	Training	0.764	0.6501	-0.1139	0.6429	-0.1211	0.0597	-0.2224	-0.2365	-0.6926	-0.7643	0.7041
40	S9000008	Training	2.27	1.4726	-0.7974	1.369	-0.901	0.1149	-1.6048	-1.8132	-0.0585	-0.4041	1.6221
41	S9000009	Training	2.95	1.4454	-1.5046	1.2531	-1.6969	0.1133	-3.0253	-3.4121	0.2424	-0.3062	1.6213
42	S9000010	Prediction	0.193	1.0088	0.8158	-	-	0.0622	1.595	1.595	0.8888	0.0667	0.9978
43	S9000011	Training	0.755	1.3494	0.5944	1.4184	0.6634	0.104	1.1889	1.3269	0.3818	-0.2747	1.5331
44	S9000012	Training	2.008	1.0521	-0.9559	0.9804	-1.0276	0.0697	-1.8765	-2.0171	0.1595	-0.3648	1.1645
45	S9000013	Prediction	0.601	0.5603	-0.0407	-	-	0.053	-0.0792	-0.0792	-0.3742	-0.7289	0.6965
46	S9000014	Training	-0.367	0.5691	0.9361	0.6062	0.9732	0.0381	1.8071	1.8786	0.8078	-0.0738	0.5666
47	S9000015	Training	0.371	0.3575	-0.0135	0.3569	-0.0141	0.0395	-0.0261	-0.0272	-0.0271	-0.6249	0.4957
48	S9000016	Prediction	0.977	1.1277	0.1507	-	-	0.0918	0.2995	0.2995	-0.4068	-0.6583	1.304
49	S9000017	Training	-0.174	-0.0318	0.1422	-0.0223	0.1517	0.0623	0.2781	0.2966	1.8004	0.322	-0.1309
50	S9000018	Training	-0.131	-0.0345	0.0965	-0.0294	0.1016	0.0496	0.1875	0.1973	1.4907	0.2226	-0.1689
51	S9000019	Excluded									1.4113	0.142	-0.4865
52	S9000020	Training	0.152	-0.3326	-0.4846	-0.3612	-0.5132	0.0556	-0.9442	-0.9998	2.0265	0.3748	-0.96
53	S9000021	Prediction	-0.469	-0.7491	-0.2801	-	-	0.1104	-0.5623	-0.5623	1.8966	0.3737	-0.0714
54	S9000022	Training	0.507	0.0252	-0.4818	-0.0092	-0.5162	0.0667	-0.9442	-1.0117	1.655	0.3097	-0.0831
55	S9000023	Training	0.248	0.0488	-0.1992	0.0371	-0.2109	0.0555	-0.388	-0.4108	1.9547	0.4352	-0.1409
56	S9000024	Training	0.513	-0.0024	-0.5154	-0.0419	-0.5549	0.0712	-1.0124	-1.09	2.3215	0.5292	-0.8305
57	S9000025	Prediction	0.233	-0.6214	-0.8544	-	-	0.1195	-1.724	-1.724	4.1461	1.4349	0.924
58	S9000026	Training	0.548	0.9111	0.3631	1.0725	0.5245	0.3077	0.8263	1.1935	1.2736	0.2486	0.8565
59	S9000027	Training	-0.174	0.9049	1.0789	0.9789	1.1529	0.0641	2.1116	2.2563	0.91	-0.0771	-0.3581
60	S9000028	Training	0.413	-0.2285	-0.6415	-0.2537	-0.6667	0.0378	-1.2382	-1.2868	1.9753	0.3548	-0.768
61	S9000029	Training	-0.708	-0.5897	0.1183	-0.5774	0.1306	0.0946	0.2353	0.2599	1.8577	0.3452	-0.4533
62	S9000030	Training	-0.793	-0.2977	0.4953	-0.2585	0.5345	0.0735	0.9742	1.0514	1.7067	0.2667	-0.6313
63	S9000031	Training	-0.979	-0.4543	0.5247	-0.4124	0.5666	0.074	1.0323	1.1148	1.6798	0.2884	-0.2968
64	S9000032	Prediction	-0.959	-0.1526	0.8064	-	-	0.0602	1.5749	1.5749	-1.3993	1.5893	0.5852
65	S9000033	Prediction	2.976	2.7166	-0.2594	-	-	0.1061	-0.5194	-0.5194	-0.3838	2.2779	0.1372
66	S9000034	Training	2.84	2.5506	-0.2894	2.5076	-0.3324	0.1294	-0.5873	-0.6746	-0.4288	1.9199	0.3788
67	S9000035	Training	2.319	2.4735	0.1545	2.4912	0.1722	0.1024	0.3088	0.3441	-1.7686	1.4875	0.4283
68	S9000036	Training	3.18	2.6355	-0.5445	2.5695	-0.6105	0.108	-1.0916	-1.2239			
69	S9000037	Excluded											
