Simultaneous Quantification of 14 Compounds in Achillea millefolium by GC-MS Analysis and Near-Infrared Spectroscopy Combined with Multivariate Techniques
Table 4
Comparison of the regression parameters for the SCMs obtained by different sample treatments.
Sample1
Compounds
n2
Bias
SEE
SEP
Consistency4
R2
Intercept
Slope
c-set3
v-set
c-set
v-set
c-set
v-set
c-set
v-set
c-set
v-set
Soven
C1
24/12
0
−0.06
0.09
0.21
43.94
0.98
0.92
0.06
0.63
0.97
0.69
C2
24/12
0
−0.11
0.4
0.46
87.43
0.79
0.72
0.99
1.76
0.62
0.39
C3
24/12
0
−0.01
0.15
0.22
68.76
0.96
0.94
0.07
0.28
0.93
0.75
C4
24/12
0
−0.05
0.23
0.36
64.41
0.92
0.84
0.22
0.6
0.85
0.62
C5
24/12
0
−0.33
0.4
0.87
45.93
0.96
0.81
0.44
3.47
0.93
0.51
C6
24/12
0
−0.16
0.47
0.69
69.14
0.8
0.55
0.66
1.66
0.64
0.23
C7
24/12
0
−0.18
0.33
0.51
63.81
0.94
0.88
0.3
1.07
0.87
0.63
C8
24/12
0
−0.11
0.44
0.62
71.83
0.92
0.88
0.37
1.02
0.85
0.65
C9
24/12
0
−0.02
0.31
0.6
51.48
0.97
0.88
0.24
1.31
0.93
0.65
C10
24/12
0
−0.35
0.67
0.84
80.15
0.85
0.86
0.79
2.09
0.73
0.43
C11
24/12
0
−0.1
0.23
0.37
62.43
0.92
0.85
0.25
0.94
0.84
0.47
C12
24/12
0
−0.17
0.21
0.37
56.16
0.97
0.93
0.17
1.22
0.94
0.64
C13
24/12
0
−0.08
0.61
2.67
22.73
0.99
0.72
0.16
3.78
0.97
0.36
C14
24/12
0
0.08
0.65
0.82
79.51
0.86
0.77
0.86
1.38
0.74
0.59
Sair-oven
C1
76/38
0
0.03
0.35
0.35
98.94
0.81
0.81
0.41
0.39
0.65
0.65
C2
76/38
0
0.01
0.34
0.34
97.44
0.95
0.95
0.11
0.1
0.9
0.9
C3
76/38
0
0.02
0.36
0.37
96.14
0.77
0.76
0.32
0.3
0.59
0.59
C4
76/38
0
−0.14
1.05
1.15
91.54
0.91
0.9
0.42
0.59
0.83
0.82
C5
76/38
0
0.05
1.69
1.71
98.93
0.57
0.59
3.35
3.32
0.32
0.32
C6
76/38
0
0.02
0.5
0.47
105.94
0.81
0.84
0.5
0.5
0.65
0.64
C7
76/38
0
0.01
0.91
0.95
96.12
0.5
0.48
1.62
1.66
0.25
0.23
C8
76/38
0
−0.16
0.98
1.08
90.85
0.89
0.87
0.52
0.69
0.79
0.78
C9
76/38
0
0.01
1.08
1.11
97.46
0.49
0.49
2.33
2.37
0.24
0.23
C10
76/38
0
0
0.76
0.76
100.48
0.69
0.72
1.24
1.32
0.48
0.46
C11
76/38
0
−0.01
0.48
0.5
97.06
0.57
0.57
0.91
0.96
0.32
0.29
C12
76/38
0
0.04
0.74
0.73
100.28
0.63
0.66
1.3
1.28
0.4
0.39
C13
76/38
0
0.11
1.84
1.83
100.34
0.7
0.72
1.91
1.91
0.48
0.46
C14
76/38
0
−0.02
0.79
0.79
101.05
0.8
0.82
0.89
0.84
0.64
0.67
Sair
Mean
—
0
−0.08a
0.56ab
0.62
92.34A
0.83Ab
0.82
0.62ab
0.78
0.70Aa
0.66
Soven
Mean
—
0
−0.12Aa
0.37b
0.69
61.98B
0.92Aa
0.83
0.40b
1.52
0.84Ab
0.54
SD
—
0
0.12
0.18
0.61
17
0.07
0.11
0.3
1.02
0.12
0.15
SE
—
0
0.03
0.05
0.16
4.54
0.02
0.03
0.08
0.27
0.03
0.04
Sair-oven
Mean
—
0
0.00Bb
0.85a
0.87
98.04A
0.72B
0.73
1.13a
1.16
0.54B
0.53
SD
—
0
0.07
0.47
0.48
3.85
0.15
0.15
0.91
0.9
0.22
0.22
SE
—
0
0.02
0.12
0.13
1.03
0.04
0.04
0.24
0.24
0.06
0.06
F
—
‡‡‡
5.971
7.159
1.007
43.655
12.007
3.065
5.059
2.525
12.168
2.336
Sig
—
—
0.0056
0.0026
0.375
06
06
0.058
0.0115
0.093
06
0.11
1Sair-and-oven = samples including both air-dried and oven-dried A millefolium, Soven = oven-dried A millefolium; Sair = air-dried A millefolium; 2sample numbers in the calibration set/sample numbers in the validation set; 3a test of variances cannot be performed for c-set bias because the sum of weights is zero; 4consistency = (SEE/SEP)100; 5the mean difference is significant at the 0.05 level; 6the mean difference is significant at the 0.01 level.
