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Table 7 Prediction of summed polyunsaturated fatty acids (PUFA) 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 4.58 2.43 0.73 0.75 7
3100–2800. 1800–700 7.50 7.80 0.29 0.15 4
3100–2800. 1800–1700 4.54 5.89 0.74 0.46 11
3100–2800. 1700–1715 4.72 2.48 0.71 0.70 8
3100–2800. 1800–1715 4.50 4.46 0.74 0.53 11
1800–1700 7.24 13.79 0.34 0.25 6
1800–700 7.35 5.73 0.31 0.20 4
  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 number of factors used in PLSR models
  4. cNFactors—number of factors used in PLSR models