Table 3 The standard deviation and relative standard deviation of the experimental errors in the NMR measurements for different lignin moieties.

From: SP-LCC — a dataset on the structure and properties of lignin-carbohydrate complexes from hardwood

Entry

Lignin moiety

Uncertainty from the biorefinery process (I)

Uncertainty from NMR measurement (II)

Standard deviation (per 100 Ar)

Relative standard deviation (%)

Standard deviation (per 100 Ar)

Relative standard deviation (%)

1

Syringyl/Guaiacyl ratio

0.02

0.78

0.02

0.7

2

Acetyl groups

0.24

3.92

0.08

0.9

3

Alkyl-Alkyl

0.06

3.69

0.09

2.3

4

Alkyl-Aryl

0.21

10.44

0.85

7.51

5

γ-esters

0.01

1.06

0.12

20.81

6

β-O-4/α-OH

0.62

2.96

0.03

1.84

7

BE total

0.10

3.08

0.01

0.25

8

α-CO/β-O-4

0.02

1.87

0.04

3.54

9

Resinol (β-β)

0.03

0.51

0.05

0.75

10

Phenylcoumaran (β-5)

0.05

2.02

0.03

1.20

11

GlcU Acid

0.03

5.14

0.01

5.67

12

GlcU Esters

0.02

4.24

0.00

0.00

13

PhGly

0.03

8.21

0.00

0.00

14

Terminal carbohydrate

0.12

5.50

0.03

1.60

15

Internal carbohydrate

0.61

5.27

0.06

1.45

16

Total carbohydratea

0.71

5.20

0.09

1.50

17

Carbohydrate DPb

0.22

3.42

0.00

0.10

18

Conjugated Syringyl

0.76

7.05

0.28

1.78

19

Conjugated COOH

0.05

4.65

0.01

0.70

20

Conjugated Guaiacyl

0.10

2.47

0.02

0.48

21

Vinyl-Ar

0.69

3.56

0.06

4.02

22

Vinyl-Alk

0.15

2.28

0.12

1.12

23

Vinyl Ox

0.01

0.72

0.06

3.17

24

Fur-CHO

0.02

11.11

0.01

2.54

25

Ar-CHO

0.24

16.42

0.04

1.08

26

Average RSD

4.62

2.60

  1. The experiments were repeated for four samples isolated under the same conditions (P-factor = 500, L:S = 1, T = 195 °C, Sawdust dry matter = 4 g). Consecutive measurements describe the experimental errors of two consecutive measurements of the NMR tube with the sample obtained at P-factor = 625, L:S = 1.13 and T = 178 °C.
  2. aInternal + terminal carbohydrates. bAverage carbohydrate chain length calculated as the ratio between total and terminal carbohydrates17,46. SD = standard deviation. RSD = relative standard deviation.