Table 1.

Correlation between all standardized metabolite datasets investigated in this study.

Data source	Pairwise conditions	Days	R of standardized data
			Glucose	Lactate	Glutamine	Glutamate	Ammonia
Off-line	CuBiAn/LC-MS	1–9	0.968	0.979	0.944	0.777	N/A
Chemometrics	Chemometrics/LC-MS	1–9	0.975	0.983	0.937	0.766	N/A
	Chemometrics/CuBiAn	1–10	0.987	0.986	0.922	0.829	0.936
Raman univariate predictors	Best positively correlated/LCMS	1–9	0.971	0.952	0.839	0.845	N/A
	Best positively correlated/LCMS	2–9	0.970	0.944	0.926	0.835	N/A
	Best positively correlated/CuBiAn	1–10	0.958	0.673	0.654	0.177	0.935
	Best positively correlated/CuBiAn	2–10	0.956	0.701	0.899	0.173	0.931
	Overall means		0.97	0.89	0.87	0.63	0.93

The datasets consisted of off-line CuBiAn bioanalyzer data for glucose, lactate, glutamine, glutamate, and ammonia collected daily over 10 days.

Bold numbers indicate the strongest correlation among all pairwise analyses for each analyte. The underlines numbers indicate the highest correlations obtained using the blind univariate approach.