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Table 5 Prediction of summed saturated fatty acids (SAT) content in yeast biomass by FTIR spectroscopy, using partial least square regression (PLSR) analysis

From: Biochemical profiling, prediction of total lipid content and fatty acid profile in oleaginous yeasts by FTIR spectroscopy

Spectral region (cm−1) \({{\text{RMSE}}_{{{\text{CV}}}}} ^{{\text{a}}}\)
(N = 125)
RMSETest
(N = 56)
\({R^{2} {_{{{\text{CV}}}}}} ^{{\text{b}}}\)
(N = 125)
R 2 Test
(N = 56)
NFactorsc
3100–2800 4.50 6.70 0.78 0.73 11
3100–2800. 1800–700 3.97 12.74 0.83 0.15 14
3100–2800. 1800–1700 5.46 8.06 0.67 0.50 4
3100–2800. 1700–1715 4.64 5.68 0.77 0.70 12
3100–2800. 1800–1715 4.41 5.70 0.79 0.69 17
1800–1700 6.91 13.28 0.51 0.02 5
1800–700 5.51 11.58 0.67 0.23 5
  1. N is the number of samples in the dataset
  2. aRMSE—root mean squared error of cross-validation in calibration (RMSECV) and test set (RMSETest)
  3. bR2—coefficient of determination for cross-validation in calibration (R2CV) and test set (R2Test)
  4. cNFactors—number of factors used in PLSR models