Data
|
No. of spectra
|
No. of PLS comp
|
R2 (XPLS-DA)%
|
R2 (XTP)%
|
R2(y)%
|
% MCCR (DIVA)
|
SR limit
|
No. of selected peaks
|
---|
C/S
|
88
|
5
|
70.6
|
19.7
|
97.8
|
80
|
0.41
|
10 (26%)
|
C/Sa
|
88
|
4
|
91.1
|
48.6
|
87.8
| | | |
- No. of spectra: 19 individuals in 3–5 replicates; R2 (XPLS-DA): 70.6% of total variance in X is explained in the PLS-DA model; R2 (XTP): 19.7% of total variance in X is explained in the TP model; R2(y): 97.8% of total variance in the response variable. y. is explained in both models; MCCR: mean correct classification rate; No. of selected peaks with percentage of total peak selection in brackets; C/Sa: modelling results after reduction of subset to only include the selected peaks.