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Table 1 PLS regression results between HTS-FTIR and GC fatty acid measurements (N = 201)

From: Microtiter plate cultivation of oleaginous fungi and monitoring of lipogenesis by high-throughput FTIR spectroscopy

Fatty acid Range Mean Standard deviation R2a RMSECVb RPD CV c PLS factors
C16:0 13.4–31.9 20.2 6.1 0.94 1.5 4.0 6
C18:0 2.1–14.4 6.3 3.2 0.94 0.8 4.2 6
C18:1n9 25.4–49.1 37.4 5.4 0.89 1.8 3.0 21
C18:2n6 7.6–48.1 20.8 11.5 0.96 2.3 5.0 7
C18:3n6 0.0–22.3 9.1 7.2 0.96 1.4 5.1 3
SAT 22.4–39.2 29.0 4.5 0.87 1.6 2.8 6
MUFA 27.1–52.6 40.7 5.6 0.93 1.5 3.9 21
PUFA 15.9–50.5 30.3 8.1 0.93 2.2 3.7 7
Unsaturation index 0.89–1.33 1.11 0.13 0.95 0.03 4.5 9
Total lipid 7.9–37.1 27.8 6.1 0.86 2.3 2.6 4
  1. aR2, cross-validated squared correlation coefficient
  2. bRMSECV, root mean square error of cross validation
  3. cRPDCV, residual predictive deviation of cross-validation (standard deviation/RMSECV)