Quantitative dynamics of triacylglycerol accumulation in microalgae populations at single-cell resolution revealed by Raman microspectroscopy

Table 2 Predictive modeling of nutrition condition of single cells

Fingerprint region
	6 h	12 h	24 h	36 h	48 h	72 h	96 h*
Number of PCs used in LDA	9	9	2	2	2	2	2
Variations explained by these PCs (%)	67.5	82.0	72.6	89.1	91.1	85.7	93.6
MCR of calibration data (%)	2.2	2.2	1.1	1.1	1.1	1.1	0
MCR of validation data (%)	6.7	3.3	3.3	0	0	0	0
Hydrocarbon region
	6 h	12 h	24 h	36 h	48 h	72 h	96 h*
Number of PCs used in LDA	10	12	5	2	2	2	2
Variations explained by these PCs (%)	89.1	95.8	94.9	96.3	94.7	97.9	97.2
MCR of calibration data (%)	2.2	0	0	0	0	0	0
MCR of validation data (%)	16.7	6.7	0	0	0	0	0

*For both calculations, one outlier was excluded from the training set at 96 h.
PC-LDA results were shown for discriminating cells between Groups N- and N + at each time point. h: hours; LDA: linear discriminant analysis; MCR: misclassification rate by leave-one-out cross validation (LOOCV); PC: principal component.

ISSN: 2731-3654