Table 4 Empirical mean \(\widehat{\mu }\), standard deviation \(\widehat{\sigma }\), skewness \(\widehat{s}\), kurtosis \(\widehat{k}\) and coefficient of variation \(\widehat{c_\mathrm{v}}\) estimated with \(10^6\) realizations of the surrogate models.

From: Uncertainty propagation in pore water chemical composition calculation using surrogate models

QoI

Small range case

Large range case

\(\widehat{\mu }\)

\(\widehat{\sigma }\)

\(\widehat{s}\)

\(\widehat{k}\)

\(\widehat{c_\mathrm{v}}\ [\%]\)

\(\widehat{\mu }\)

\(\widehat{\sigma }\)

\(\widehat{s}\)

\(\widehat{k}\)

\(\widehat{c_\mathrm{v}}\ [\%]\)

\(\mathrm{pH}\)

7.17

0.20

\(-0.004\)

2.66

3

7.19

0.39

\(-0.03\)

2.68

5

\(\mathrm{pe}+\mathrm{pH}\)

4.20

\(6.13\cdot 10^{-2}\)

0.043

2.79

1.5

4.20

\(1.26\cdot 10^{-1}\)

0.17

2.97

3

\({\mathrm{Na}}^{+}\)

\(4.29\cdot 10^{-2}\)

\(3.05\cdot 10^{-3}\)

0.2

2.93

7

\(4.43\cdot 10^{-2}\)

\(7.07\cdot 10^{-3}\)

0.94

5.85

16

\({\mathrm{K}}^{+}\)

\(1.04\cdot 10^{-3}\)

\(2.50\cdot 10^{-4}\)

0.38

2.27

24

\(1.17\cdot 10^{-3}\)

\(5.75\cdot 10^{-4}\)

0.92

3.85

49

\({\mathrm{Ca}}^{2+}\)

\(8.46\cdot 10^{-3}\)

\(2.21\cdot 10^{-3}\)

0.52

3.16

26

\(9.33\cdot 10^{-3}\)

\(4.80\cdot 10^{-3}\)

1.48

7.89

51

\({\mathrm{Mg}}^{2+}\)

\(5.91\cdot 10^{-3}\)

\(2.14\cdot 10^{-3}\)

0.62

3.13

36

\(6.68\cdot 10^{-3}\)

\(5.06\cdot 10^{-3}\)

2.61

21.0

76

\({\mathrm{Sr}}^{2+}\)

\(2.10\cdot 10^{-4}\)

\(2.87\cdot 10^{-5}\)

0.45

3.08

14

\(2.17\cdot 10^{-4}\)

\(6.42\cdot 10^{-5}\)

1.05

4.95

30

\(\mathrm{Fe}\)

\(4.59\cdot 10^{-5}\)

\(5.48\cdot 10^{-5}\)

3.33

20.0

119

\(1.85\cdot 10^{-4}\)

\(6.99\cdot 10^{-4}\)

13.1

319.0

378

\(\mathrm{Si}\)

\(1.83\cdot 10^{-4}\)

\(2.11\cdot 10^{-5}\)

0.14

1.83

12

\(1.87\cdot 10^{-4}\)

\(4.29\cdot 10^{-5}\)

0.28

1.89

23

\(\mathrm{Al}\)

\(9.34\cdot 10^{-8}\)

\(5.25\cdot 10^{-8}\)

1.05

3.83

56

\(1.55\cdot 10^{-7}\)

\(1.83\cdot 10^{-7}\)

2.38

10.9

117

\(\mathrm{S(VI)}\)

\(1.46\cdot 10^{-2}\)

\(3.00\cdot 10^{-3}\)

0.32

2.84

21

\(1.66\cdot 10^{-2}\)

\(8.63\cdot 10^{-3}\)

2.43

18.3

52

\(\mathrm{S(-II)}\)

\(7.50\cdot 10^{-10}\)

\(3.93\cdot 10^{-10}\)

1.80

8.15

52

\(1.31\cdot 10^{-9}\)

\(1.84\cdot 10^{-9}\)

5.65

62.2

141

\({\mathrm{log}}_{10}\,{\mathrm{p}}_{{\mathrm{CO}}_2}\)

\(-2.07\)

0.41

\(-0.014\)

2.66

\(-20\)

\(-2.11\)

0.79

\(-0.058\)

2.62

\(-38\)