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. 2017 Nov 13;16:195. doi: 10.1186/s12934-017-0817-3

Table 2.

PLSR coefficients of determination (R2) and root mean square errors (RMSE) for determination of citric acid (for P. glabrum), with the number of components in parenthesis (A opt); CV cross validation, ITV independent test validation

FTIR measurement mode CV ITV
R2 (A opt) RMSE (g L−1 citric acid) R2 (A opt) RMSE (g L−1 citric acid)
ATR 0.97 (5) 0.51 (5.8%) 0.88 (4) 0.76 (8.7%)
HTS 0.98 (5) 0.43 (4.9%) 0.91 (3) 0.75 (8.6%)