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| |
LV
|
Regions (cm−1)
|
R2C
|
RMSEC
|
RMSECV
|
R2P
|
RMSEP
|
RPD
|
RER
|
Cal. Bias
|
|---|
|
%CT (HBAI)
|
7
|
iPLS (1186–1454)
|
0.93
|
0.59
|
0.76
|
0.92
|
0.70
|
3.71
|
13.1
|
− 0.019
|
|
%CT (Thiolysis)
|
6
|
Main frequencies (551–1810/2700–3000)
|
0.87
|
0.89
|
1.08
|
0.88
|
0.93
|
2.80
|
11.5
|
− 0.215
|
|
mDP
|
6
|
Full range (550–4000)
|
0.75
|
0.64
|
0.84
|
0.66
|
0.77
|
1.86
|
7.16
|
− 0.015
|
|
PC
|
8
|
Fingerprint (700–1700)
|
0.97
|
4.96
|
6.82
|
0.96
|
5.60
|
5.26
|
14.1
|
0.208
|
|
cis
|
6
|
iPLS (9 regionsa)
|
0.96
|
6.74
|
8.39
|
0.95
|
7.07
|
4.24
|
13.3
|
− 0.157
|
- LV latent variables, RMSEC/CV/P root-mean-square error or calibration/cross-validation/prediction, RPD ratio of prediction to deviation, RER range error ratio, %CT content of condensed tannins (%DM) measured by HCl-butanol-acetone-iron assay (HBAI) or thiolysis-HPLC (Thiolysis), mDP mean degree of polymerisation, PC % procyanidin units (% condensed tannins), cis % cis units (% condensed tannins)
- a646–673/790–846/877–904/1108–1135/1253–1280/1340–1367/1398–1425/1658–1685/1716–1743/1774–1810 cm−1
