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Table 1 PLSR coefficients of determination (R2) and root mean square errors (RMSE) for determination of glucose (for all three species), with the number of components in parenthesis (A opt ); CV cross validation, ITV independent test validation

From: FTIR spectroscopy as a unified method for simultaneous analysis of intra- and extracellular metabolites in high-throughput screening of microbial bioprocesses

FTIR measurement mode CV ITV
R2 (A opt ) RMSE (g L−1 glucose) R2 (A opt ) RMSE (g L−1 glucose)
ATR 0.98 (1) 3.59 (4.5%) 0.96 (2) 4.49 (5.6%)
HTS 0.96 (3) 4.87 (6.1%) 0.95 (2) 4.98 (6.2%)