Electronic Supporting Information and Data for: The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution (doi:10.18419/darus-2237)

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Part 1: Document Description
Part 2: Study Description
Part 3: Data Files Description
Part 4: Variable Description
Part 5: Other Study-Related Materials
Entire Codebook

(external link)

Document Description

Citation

Title:

Electronic Supporting Information and Data for: The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution

Identification Number:

doi:10.18419/darus-2237

Distributor:

DaRUS

Date of Distribution:

2022-01-25

Version:

1

Bibliographic Citation:

Landsgesell, Jonas; Beyer, David; Hebbeker, Pascal; Košovan, Peter; Holm, Christian, 2022, "Electronic Supporting Information and Data for: The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution", https://doi.org/10.18419/darus-2237, DaRUS, V1, UNF:6:WWoVw/rOePmKZuTyIQul0A== [fileUNF]

Study Description

Citation

Title:

Electronic Supporting Information and Data for: The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution

Identification Number:

doi:10.18419/darus-2237

Authoring Entity:

Landsgesell, Jonas (Institute for Computational Physics, University of Stuttgart)

Beyer, David (Institute for Computational Physics, University of Stuttgart)

Hebbeker, Pascal (Department of Physical and Macromolecular Chemistry, Charles University in Prague)

Košovan, Peter (Department of Physical and Macromolecular Chemistry, Charles University in Prague)

Holm, Christian (Institute for Computational Physics, University of Stuttgart)

Grant Number:

423435431

Grant Number:

451980436

Grant Number:

429529433

Grant Number:

21-31978J

Distributor:

DaRUS

Access Authority:

Holm, Christian

Access Authority:

Košovan, Peter

Depositor:

Beyer, David

Date of Deposit:

2021-11-16

Holdings Information:

https://doi.org/10.18419/darus-2237

Study Scope

Keywords:

Chemistry, Physics, Hydrogel, Computer Simulation, Molecular Dynamics, Monte Carlo Method, Polyelectrolytes

Abstract:

Electronic supporting information, simulation scripts, simulation data and plotting scripts for the paper "The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution". In this work, we investigate the swelling properties of weak (pH-responsive) polyelectrolyte gels at various pH and salt concentrations, using a hierarchy of models, going from particle-based to field-based models.<br> Here, we provide the simulation scripts and data for the different gel models. More information can be found in README.md. Some of the subdirectories also contain README files.<br> The directory structure is best viewed using the option "Tree".<br>

Methodology and Processing

Sources Statement

Data Access

Other Study Description Materials

Related Publications

Citation

Title:

Jonas Landsgesell, David Beyer, Pascal Hebbeker, Peter Košovan and Christian Holm. The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution. Macromolecules, 2022, 55, 3176-3188.

Identification Number:

10.1021/acs.macromol.1c02489

Bibliographic Citation:

Jonas Landsgesell, David Beyer, Pascal Hebbeker, Peter Košovan and Christian Holm. The pH-dependent Swelling of Weak Polyelectrolyte Hydrogels Modeled at Different Levels of Resolution. Macromolecules, 2022, 55, 3176-3188.

File Description--f70272

File: equilibrium_values_gel_MD-low.tab

  • Number of cases: 6

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:x8t0blUnBBP7ta5p0yeoVw==

File Description--f70282

File: equilibrium_values_gel_MD.tab

  • Number of cases: 65

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:/aynOaFVQ20YGdv7Jn1GCw==

File Description--f70291

File: equilibrium_values_HH+Donnan_generic-low.tab

  • Number of cases: 72

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:lNRjQJeyxnN9UnLFJtw0IQ==

File Description--f70294

File: equilibrium_values_HH+Donnan_generic.tab

  • Number of cases: 78

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:K1hDQUIpPbtETahQuxF/Kw==

File Description--f70273

File: equilibrium_values_linear_MD_cuboid-low.tab

  • Number of cases: 24

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:gWmf1ZTTtMc9CD8WVWHNhg==

File Description--f70276

File: equilibrium_values_linear_MD_cuboid.tab

  • Number of cases: 65

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:SNktJWAsCJ+d3HZSN24/zQ==

File Description--f70293

File: equilibrium_values_linear_PB_generic-low.tab

  • Number of cases: 72

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:hehdMZZHztECyTT9FR1WjQ==

File Description--f70274

File: equilibrium_values_linear_PB_generic.tab

  • Number of cases: 78

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:wjnOVSGr9F3MqUFx5UPZvg==

File Description--f70262

File: tmp_gel_MD.tab

  • Number of cases: 71

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:4aW5YYtNsiGfEn3vIOgYwQ==

File Description--f70267

File: tmp_HH+Donnan_generic.tab

  • Number of cases: 150

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:7mhAUXkcp8mepCX68X6aoQ==

File Description--f70292

File: tmp_linear_MD_cuboid.tab

  • Number of cases: 89

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:TqNdoTYK82lhOhxcATp7eA==

File Description--f70256

File: tmp_linear_PB_generic.tab

  • Number of cases: 150

  • No. of variables per record: 20

  • Type of File: text/tab-separated-values

Notes:

UNF:6:HHQ8P/NKfR4RJZy0Yb9fQA==

File Description--f70264

File: excess_chemical_potential_excess_pressure.tab

  • Number of cases: 25

  • No. of variables per record: 6

  • Type of File: text/tab-separated-values

Notes:

UNF:6:LW2GCaVqv2oZq/mzwzz25Q==

File Description--f70257

File: N_40_eps_1e4_total_pressure_real_rod.tab

  • Number of cases: 2964

  • No. of variables per record: 9

  • Type of File: text/tab-separated-values

Notes:

UNF:6:gj3N4sowt/Zp8qSh9zXJKg==

File Description--f70266

File: N_40_eps_1e4_total_pressure_real_rod_low.tab

  • Number of cases: 2964

  • No. of variables per record: 9

  • Type of File: text/tab-separated-values

Notes:

UNF:6:7JjcKvOY3rWBhhDA150neQ==

File Description--f70260

File: N_40_eps_80_total_pressure_real_rod.tab

  • Number of cases: 2964

  • No. of variables per record: 9

  • Type of File: text/tab-separated-values

Notes:

UNF:6:i/ukUUTBYY/5VRAn5eu1gw==

File Description--f70258

File: N_40_eps_80_total_pressure_real_rod_low.tab

  • Number of cases: 2736

  • No. of variables per record: 9

  • Type of File: text/tab-separated-values

Notes:

UNF:6:6IYNRDRwA3WjiBDwW3HCmQ==

File Description--f70289

File: total_data_periodic_weak_gel_low_salt.tab

  • Number of cases: 240

  • No. of variables per record: 32

  • Type of File: text/tab-separated-values

Notes:

UNF:6:vulLddFxKuZx5MP/f3/uOQ==

File Description--f70281

File: total_data_single_chain_cuboid.tab

  • Number of cases: 1643

  • No. of variables per record: 44

  • Type of File: text/tab-separated-values

Notes:

UNF:6:QbiXDl2lE/+qYzoqudwqvA==

File Description--f70297

File: total_data_single_chain_cuboid_low_salt.tab

  • Number of cases: 627

  • No. of variables per record: 44

  • Type of File: text/tab-separated-values

Notes:

UNF:6:0SJFoESklDHpNQVN45MgpA==

File Description--f70305

File: weak-gel_total_data.tab

  • Number of cases: 2576

  • No. of variables per record: 32

  • Type of File: text/tab-separated-values

Notes:

UNF:6:F2GH0cuqnNr0JMqNnlWEQg==

Variable Description

List of Variables:

Variables

Index

f70272 Location:

Summary Statistics: Min. 0.0; Mean 2.5; Max. 5.0; Valid 6.0; StDev 1.8708286933869707;

Variable Format: numeric

Notes: UNF:6:ITWOuiJ9qMbBP+2IOfS+5w==

MPC

f70272 Location:

Summary Statistics: Valid 6.0; StDev 0.0; Min. 40.0; Mean 40.0; Max. 40.0;

Variable Format: numeric

Notes: UNF:6:Vw7TcmUPmgWTw9yISY8oZQ==

Kcideal_in_mol_per_l

f70272 Location:

Summary Statistics: Min. 1.0E-4; Mean 1.0E-4; Valid 6.0; Max. 1.0E-4; StDev 0.0;

Variable Format: numeric

Notes: UNF:6:nnJvd4NQELeRkBbVH5Zahw==

pH

f70272 Location:

Summary Statistics: Max. 6.0; Valid 6.0; StDev 0.0; Mean 6.0; Min. 6.0

Variable Format: numeric

Notes: UNF:6:TUTC0NgB/q/peoF6dTWHvw==

cs

f70272 Location:

Summary Statistics: Min. 1.00000000000096E-6; Mean 0.018518500000017778; StDev 0.04010835585639343; Max. 0.10000000000009601; Valid 6.0;

Variable Format: numeric

Notes: UNF:6:wuQfb3ZJN6awG/2P4SY7yA==

max_L

f70272 Location:

Summary Statistics: StDev 0.0; Min. 31.678516450111736; Valid 6.0; Max. 31.678516450111736; Mean 31.678516450111736

Variable Format: numeric

Notes: UNF:6:MPL5IF1fuy+Ud5kYfo2AZw==

fit_L

f70272 Location:

Summary Statistics: Valid 6.0; StDev 3.9022894698572115; Max. 17.59086830414033; Min. 8.00371160953721; Mean 13.313406751552963

Variable Format: numeric

Notes: UNF:6:GKouerhXQqV4JB+yooOkDw==

best_L

f70272 Location:

Summary Statistics: StDev 3.916633528756768; Min. 8.072244994441002; Max. 17.658035925353; Mean 13.453741657419418; Valid 6.0;

Variable Format: numeric

Notes: UNF:6:PWAa1r5MMFoLB1cw/4WJiA==

best_index

f70272 Location:

Summary Statistics: StDev 7.7631608682718065; Min. 3.0; Max. 22.0; Mean 13.666666666666666; Valid 6.0

Variable Format: numeric

Notes: UNF:6:l2BNTUSdqNjVIUKu3jND/w==

fit_a

f70272 Location:

Summary Statistics: Valid 6.0; StDev 0.15247929807121885; Max. -1.1653313588774692; Min. -1.5061998867920043; Mean -1.345799250684499;

Variable Format: numeric

Notes: UNF:6:YAXI3WtKu+b2MI519l4XaQ==

fit_b

f70272 Location:

Summary Statistics: StDev 0.1785965185503009; Max. 0.5244841854567268; Valid 6.0; Mean 0.30353630942037524; Min. 0.09870683626955432

Variable Format: numeric

Notes: UNF:6:IvVlYLgEzK76lv5VijAuBw==

fit_c

f70272 Location:

Summary Statistics: Max. 0.2601751491338725; Mean 0.2031847113381179; StDev 0.0346858035496551; Min. 0.16970680070242314; Valid 6.0;

Variable Format: numeric

Notes: UNF:6:EstVQ+Qi9JKnfUUClKIhLA==

alpha

f70272 Location:

Summary Statistics: Mean 0.25502717488776333; Min. 0.00993089747628; StDev 0.26536893673517736; Valid 6.0; Max. 0.680003052264;

Variable Format: numeric

Notes: UNF:6:5gXZYCC3LOnuEFSmq2zN2A==

alpha_err

f70272 Location:

Summary Statistics: Min. 3.48095654435E-5; Valid 6.0; Mean 1.4725795996945E-4; StDev 8.785234327933173E-5; Max. 2.5845964008E-4

Variable Format: numeric

Notes: UNF:6:U87nK23QLQDWD4BgJKCaYA==

RE

f70272 Location:

Summary Statistics: StDev 1.6036554410774262; Valid 6.0; Min. 3.9250587137450004; Mean 6.130190968846917; Max. 7.834335432612002

Variable Format: numeric

Notes: UNF:6:GJeaOQm0b2gLSahI4QiNZg==

RE_err

f70272 Location:

Summary Statistics: Min. 0.00171904099976055; Valid 6.0; Max. 0.011393656507294; StDev 0.0034019298497161166; Mean 0.005638207043881567

Variable Format: numeric

Notes: UNF:6:PWiQfOmffC/5SiQlecGjZQ==

Q_V

f70272 Location:

Summary Statistics: Min. 21.906624102755284; Valid 6.0; StDev 85.95815906269583; Mean 122.30307074608427; Max. 229.30822959173747;

Variable Format: numeric

Notes: UNF:6:24O8Av72lpui0EI5HRBxgA==

Q_RE

f70272 Location:

Summary Statistics: StDev 0.11990601663323873; Valid 6.0; Min. 0.29347835162180813; Mean 0.4583570519248465; Max. 0.5857766766045549;

Variable Format: numeric

Notes: UNF:6:kfGD12nNUlh/bJC36svZLg==

pH_sys

f70272 Location:

Summary Statistics: Max. 5.52747716829769; StDev 1.410103659823434; Valid 6.0; Min. 1.9933871693350724; Mean 3.7774377043999423

Variable Format: numeric

Notes: UNF:6:84W1yo9+Ij/npgIno+mMVA==

pOH_sys

f70272 Location:

Summary Statistics: Valid 6.0; Min. 0.0; Mean 0.0; Max. 0.0; StDev 0.0

Variable Format: numeric

Notes: UNF:6:HAo1M2VpddiNWOxFEcMERQ==

Index

f70282 Location:

Summary Statistics: Max. 64.0; Mean 32.0; Min. 0.0; StDev 18.907670401189037; Valid 65.0

Variable Format: numeric

Notes: UNF:6:EGqp2p0befr8gwFczBBZLA==

MPC

f70282 Location:

Summary Statistics: Valid 65.0; StDev 0.0; Mean 40.0; Max. 40.0; Min. 40.0;

Variable Format: numeric

Notes: UNF:6:u7mxfshnP2kLObtqJZA2sg==

Kcideal_in_mol_per_l

f70282 Location:

Summary Statistics: Min. 1.0E-4; Mean 1.0E-4; Max. 1.0E-4; StDev 0.0; Valid 65.0

Variable Format: numeric

Notes: UNF:6:Wg2+IJZwQ6hRS7W+zL7vtA==

pH

f70282 Location:

Summary Statistics: StDev 3.770775782249589; Min. 1.0; Max. 13.0; Mean 7.0; Valid 65.0

Variable Format: numeric

Notes: UNF:6:4/gIqbW4Q8gJzKFnDj898w==

cs

f70282 Location:

Summary Statistics: StDev 0.06999553554505995; Max. 0.19999999964700002; Mean 0.07599999969520001; Min. 0.009999999667000003; Valid 65.0

Variable Format: numeric

Notes: UNF:6:SHbueWNKUEQ0R2K/B6OwGw==

max_L

f70282 Location:

Summary Statistics: Min. 31.678516450111736; Mean 31.678516450111736; Max. 31.678516450111736; Valid 65.0; StDev 0.0

Variable Format: numeric

Notes: UNF:6:FV8jUPbrwId1Qm2lXwzplw==

fit_L

f70282 Location:

Summary Statistics: Mean 13.84167223499055; Min. 7.230408048007967; Valid 65.0; Max. 20.352911494201944; StDev 4.151239565166105

Variable Format: numeric

Notes: UNF:6:9fv5uhV/9Ewu8F4K57SRfA==

best_L

f70282 Location:

Summary Statistics: Min. 7.063214370162501; Mean 13.862528423166685; StDev 4.148955692267639; Valid 65.0; Max. 20.180612486138003

Variable Format: numeric

Notes: UNF:6:YEuuiiie8JFuvVg+bT9oxQ==

best_index

f70282 Location:

Summary Statistics: Max. 27.0; Min. 1.0; Valid 65.0; Mean 14.307692307692303; StDev 8.278215155083016

Variable Format: numeric

Notes: UNF:6:QMyi1yGdbMvDBlRVk+kLzQ==

fit_a

f70282 Location:

Summary Statistics: Max. -0.7953606272446797; Min. -2.9206588075609976; Valid 65.0; StDev 0.44761910667650345; Mean -1.407147155011399;

Variable Format: numeric

Notes: UNF:6:SvkZv3tzv9mTrZCifnrudg==

fit_b

f70282 Location:

Summary Statistics: Mean 0.27109940441216623; Min. 0.03748120280095161; Valid 65.0; Max. 0.5882089159112894; StDev 0.15560016513200517

Variable Format: numeric

Notes: UNF:6:QQ2AqUFhPW1vdiYES93eqg==

fit_c

f70282 Location:

Summary Statistics: Max. 0.2895249133420531; Mean 0.24036357908646186; Valid 65.0; Min. 0.1710584405635744; StDev 0.04021502716086346;

Variable Format: numeric

Notes: UNF:6:iZGm6YEAh0AlpCQDyiWHcA==

alpha

f70282 Location:

Summary Statistics: Max. 1.0; StDev 0.42347200043950123; Mean 0.6106748007312407; Min. 0.001252690622; Valid 65.0

Variable Format: numeric

Notes: UNF:6:ez5t3yL+zysu9PJ927+ssA==

alpha_err

f70282 Location:

Summary Statistics: Max. 0.0140366610494; Mean 0.0014171296796959747; Min. 0.0; Valid 65.0; StDev 0.0028149506073124764;

Variable Format: numeric

Notes: UNF:6:IKjdJEsj6zC5jbrjgkW4Cw==

RE

f70282 Location:

Summary Statistics: Mean 6.421097693910699; Valid 65.0; Min. 3.4800344903912; StDev 1.7551325046743866; Max. 8.964480100526

Variable Format: numeric

Notes: UNF:6:SoU6WU4iB8CBlZULYNkaFA==

RE_err

f70282 Location:

Summary Statistics: Max. 0.048077735923845004; Mean 0.017572790910463862; Min. 0.0050909539630240004; Valid 65.0; StDev 0.010457025808608791;

Variable Format: numeric

Notes: UNF:6:j78l63ymeJUSUc7mr2JfrQ==

Q_V

f70282 Location:

Summary Statistics: Max. 342.2910016073576; Valid 65.0; Mean 139.46646860486874; StDev 100.17519284346211; Min. 14.67572669400397;

Variable Format: numeric

Notes: UNF:6:5LcmRx71WOb1iOOS0ooF7g==

Q_RE

f70282 Location:

Summary Statistics: Max. 0.6702780862451557; StDev 0.13123202273278364; Valid 65.0; Mean 0.4801082746131713; Min. 0.26020369638052765;

Variable Format: numeric

Notes: UNF:6:H1XziHE8KCuRNp89xN5btw==

pH_sys

f70282 Location:

Summary Statistics: Max. 12.669697608827436; Mean 6.49049407140812; Valid 65.0; StDev 3.6025871504023104; Min. 1.0844536213884666;

Variable Format: numeric

Notes: UNF:6:tnrqrrtZjGphNXzOe+s0cQ==

pOH_sys

f70282 Location:

Summary Statistics: Max. 0.0; Valid 65.0; Mean 0.0; Min. 0.0; StDev 0.0;

Variable Format: numeric

Notes: UNF:6:HKabY7oGrih+AnAVfHwgFw==

Index

f70291 Location:

Summary Statistics: Valid 72.0; Max. 71.0; StDev 20.92844953645635; Min. 0.0; Mean 35.5

Variable Format: numeric

Notes: UNF:6:vOazblhqJNpOW/XhJ2UfEg==

MPC

f70291 Location:

Summary Statistics: Valid 72.0; StDev 0.0; Mean 40.0; Min. 40.0; Max. 40.0;

Variable Format: numeric

Notes: UNF:6:AGpUSo674DVapYgquAQduA==

Kcideal_in_mol_per_l

f70291 Location:

Summary Statistics: Max. 1.0E-4; StDev 0.0; Min. 1.0E-4; Valid 72.0; Mean 1.0E-4;

Variable Format: numeric

Notes: UNF:6:G+qqPv9uRll4d9CEAIDTYQ==

pH

f70291 Location:

Summary Statistics: Mean 5.5; Max. 8.0; Min. 3.0; StDev 1.719810012435455; Valid 72.0

Variable Format: numeric

Notes: UNF:6:qulx1JhBGYXU1qyvHivTDg==

cs

f70291 Location:

Summary Statistics: Mean 7.406666666666667E-4; StDev 0.0014158056881079669; Max. 0.005; Valid 72.0; Min. 1.0E-6

Variable Format: numeric

Notes: UNF:6:tU1biJL0BUxukswQIm5vyQ==

max_L

f70291 Location:

Summary Statistics: Min. 13.717200000000002; Valid 72.0; Max. 13.717200000000002; Mean 13.717200000000002; StDev 0.0;

Variable Format: numeric

Notes: UNF:6:5eeuNJ1Ig549RligXcCOng==

fit_L

f70291 Location:

Summary Statistics: Max. 10.912544288350945; StDev 2.435015733158589; Mean 6.653316828601523; Valid 72.0; Min. 4.656327447673675;

Variable Format: numeric

Notes: UNF:6:CbwsIRoweysKXNQ5FgmrRg==

best_L

f70291 Location:

Summary Statistics: StDev 2.4628791413007542; Valid 72.0; Min. 4.5770529; Mean 6.63520445; Max. 10.9967025

Variable Format: numeric

Notes: UNF:6:PXiRXutVGHY2VEBZlS22Ag==

best_index

f70291 Location:

Summary Statistics: Mean 14.472222222222216; Min. 6.0; StDev 9.647260754359127; Max. 44.0; Valid 72.0

Variable Format: numeric

Notes: UNF:6:7IADOSroN2KzDJLCj8ATHw==

fit_a

f70291 Location:

Summary Statistics: Min. -4.151752502083127; Valid 72.0; Max. -1.645417161376518; StDev 0.8366262639297353; Mean -3.3403574877904614

Variable Format: numeric

Notes: UNF:6:1BV4SNLWzRPxed0sOyQcBQ==

fit_b

f70291 Location:

Summary Statistics: Mean 0.8339982046607408; StDev 0.721877939897897; Min. 0.3519257563334824; Max. 2.3772252679597856; Valid 72.0

Variable Format: numeric

Notes: UNF:6:f88qqzg1ZVV5QEgiAwyNww==

fit_c

f70291 Location:

Summary Statistics: StDev 0.020306080805636926; Min. 0.1967044237686887; Valid 72.0; Mean 0.24277636637176447; Max. 0.3095722678793149

Variable Format: numeric

Notes: UNF:6:cSFr6eSzRL1CSgUA4frrzA==

alpha

f70291 Location:

Summary Statistics: Mean 0.2710157567323834; Valid 72.0; StDev 0.3597445712789766; Min. 0.008402465086197563; Max. 0.9983280786830117;

Variable Format: numeric

Notes: UNF:6:34BJmf4J2d4meT4SyWHh9Q==

alpha_err

f70291 Location:

Summary Statistics: Max. 0.0; StDev 0.0; Valid 72.0; Mean 0.0; Min. 0.0

Variable Format: numeric

Notes: UNF:6:JK31HxKD3f1aFUkqZqalYQ==

RE

f70291 Location:

Summary Statistics: Valid 72.0; Min. 3.6110529; StDev 2.462879141300754; Max. 10.0307025; Mean 5.669204449999999

Variable Format: numeric

Notes: UNF:6:iBz/SSUsNA0HwzpHAm7idQ==

RE_err

f70291 Location:

Summary Statistics: StDev 0.0; Min. 0.0; Mean 0.0; Valid 72.0; Max. 0.0;

Variable Format: numeric

Notes: UNF:6:JK31HxKD3f1aFUkqZqalYQ==

Q_V

f70291 Location:

Summary Statistics: Min. 31.709902401445614; Mean 172.6048133292806; StDev 197.23007281853822; Max. 572.641897885362; Valid 72.0

Variable Format: numeric

Notes: UNF:6:lDemRztUTO6JCAUARaUxHA==

Q_RE

f70291 Location:

Summary Statistics: Max. 0.75; StDev 0.18415054737946474; Mean 0.42388888888888887; Valid 72.0; Min. 0.26999999999999996

Variable Format: numeric

Notes: UNF:6:15FqEajggKjD2EoClmYGjQ==

pH_sys

f70291 Location:

Summary Statistics: Mean 3.1780496305093897; Max. 6.776057451060742; Min. 1.9280712781189484; StDev 1.3130052453757868; Valid 72.0

Variable Format: numeric

Notes: UNF:6:5Cn3WvBGUgigREd+PT/YNQ==

pOH_sys

f70291 Location:

Summary Statistics: Mean 0.0; Valid 72.0; StDev 0.0; Min. 0.0; Max. 0.0

Variable Format: numeric

Notes: UNF:6:JK31HxKD3f1aFUkqZqalYQ==

Index

f70294 Location:

Summary Statistics: StDev 22.66053838724932; Min. 0.0; Mean 38.5; Valid 78.0; Max. 77.0

Variable Format: numeric

Notes: UNF:6:UwLj3pIdhDOryfzlUMNHbQ==

MPC

f70294 Location:

Summary Statistics: StDev 0.0; Min. 40.0; Max. 40.0; Valid 78.0; Mean 40.0

Variable Format: numeric

Notes: UNF:6:pWL2TnZnWEVBVebPfHVLQg==

Kcideal_in_mol_per_l

f70294 Location:

Summary Statistics: StDev 0.0; Max. 1.0E-4; Mean 1.0E-4; Valid 78.0; Min. 1.0E-4

Variable Format: numeric

Notes: UNF:6:1wJYxIvrp8LKJ3SqhwFU6Q==

pH

f70294 Location:

Summary Statistics: StDev 3.765875486765087; Valid 78.0; Min. 1.0; Mean 7.0; Max. 13.0;

Variable Format: numeric

Notes: UNF:6:s9vcnh53rtcl6gYnbsMSDA==

cs

f70294 Location:

Summary Statistics: Max. 0.2; Mean 0.0633335; Valid 78.0; Min. 1.0E-6; StDev 0.06989153811233369;

Variable Format: numeric

Notes: UNF:6:Jk7K2kGP6NvcwUsKaSxkLw==

max_L

f70294 Location:

Summary Statistics: Mean 13.717200000000002; StDev 0.0; Min. 13.717200000000002; Max. 13.717200000000002; Valid 78.0

Variable Format: numeric

Notes: UNF:6:d/I8bkQRJnsjFHbIZ5zzBA==

fit_L

f70294 Location:

Summary Statistics: Max. 10.972891888300781; Valid 78.0; StDev 2.1766299927382096; Mean 7.546270469195308; Min. 4.580341377601395

Variable Format: numeric

Notes: UNF:6:2h7dP2vMx7G6d1wftHoRCA==

best_L

f70294 Location:

Summary Statistics: Max. 10.9967025; Valid 78.0; Min. 4.5770529; Mean 7.519392300000001; StDev 2.1734892199150835

Variable Format: numeric

Notes: UNF:6:ASiGn175c9tvaEP9Oi7U5A==

best_index

f70294 Location:

Summary Statistics: Min. 6.0; Max. 30.0; Mean 17.0; StDev 8.125636838179148; Valid 78.0

Variable Format: numeric

Notes: UNF:6:tBNuwIshtWuMgiIcELSXlg==

fit_a

f70294 Location:

Summary Statistics: Mean -3.9878924781167555; Min. -4.5133239251413055; StDev 0.43241676933045736; Valid 78.0; Max. -1.645563932158378

Variable Format: numeric

Notes: UNF:6:TTCVVpBI0P+1yc8QI7NCrA==

fit_b

f70294 Location:

Summary Statistics: Max. 2.290513939781606; Valid 78.0; StDev 0.5951082863787112; Min. 0.38489658152558043; Mean 1.0569443547799893;

Variable Format: numeric

Notes: UNF:6:pvSPFW5daBLr3cJ5CDQNJQ==

fit_c

f70294 Location:

Summary Statistics: StDev 1.6186973683244923; Max. 12.895810689457331; Mean 0.5788255463163446; Valid 78.0; Min. 0.22590412563814663;

Variable Format: numeric

Notes: UNF:6:cODnhl6WQjb5XTIoOcvrZg==

alpha

f70294 Location:

Summary Statistics: Max. 0.9999999983604873; Mean 0.6419367660370594; StDev 0.44567800436578237; Min. 9.920957271547578E-4; Valid 78.0;

Variable Format: numeric

Notes: UNF:6:NAYE6LmWYyf6OLQXbGRmYA==

alpha_err

f70294 Location:

Summary Statistics: Min. 0.0; Mean 0.0; StDev 0.0; Valid 78.0; Max. 0.0

Variable Format: numeric

Notes: UNF:6:iXtE5fOQGQErAJNOo/Jlnw==

RE

f70294 Location:

Summary Statistics: Mean 6.5533923000000005; Max. 10.0307025; Min. 3.6110529; Valid 78.0; StDev 2.1734892199150835;

Variable Format: numeric

Notes: UNF:6:aABT//sCYvZPIXukYhV8dw==

RE_err

f70294 Location:

Summary Statistics: Max. 0.0; Mean 0.0; StDev 0.0; Min. 0.0; Valid 78.0;

Variable Format: numeric

Notes: UNF:6:iXtE5fOQGQErAJNOo/Jlnw==

Q_V

f70294 Location:

Summary Statistics: Mean 216.99417242706923; Min. 31.709902401445614; Valid 78.0; Max. 572.641897885362; StDev 165.22512293125988;

Variable Format: numeric

Notes: UNF:6:0c7AziWDAe+QdcdL14k/jQ==

Q_RE

f70294 Location:

Summary Statistics: Valid 78.0; Mean 0.49; Max. 0.75; StDev 0.16251273676358297; Min. 0.26999999999999996

Variable Format: numeric

Notes: UNF:6:9ZL43GDuYEA9bsQz7gsbMw==

pH_sys

f70294 Location:

Summary Statistics: Valid 78.0; Max. 12.793678190478563; Mean 6.267286117202352; Min. 0.996985600425345; StDev 3.7596210888642614;

Variable Format: numeric

Notes: UNF:6:EcESb84uYPX+QLGbVryLRQ==

pOH_sys

f70294 Location:

Summary Statistics: Valid 78.0; Min. 0.0; Max. 0.0; Mean 0.0; StDev 0.0

Variable Format: numeric

Notes: UNF:6:iXtE5fOQGQErAJNOo/Jlnw==

Index

f70273 Location:

Summary Statistics: Min. 0.0; Mean 11.5; StDev 7.0710678118654755; Valid 24.0; Max. 23.0

Variable Format: numeric

Notes: UNF:6:ZPThjLnSmRCG+CJJSM50UQ==

MPC

f70273 Location:

Summary Statistics: StDev 0.0; Max. 40.0; Min. 40.0; Valid 24.0; Mean 40.0;

Variable Format: numeric

Notes: UNF:6:qN2kwyObjLD2ea/SD3WZOw==

Kcideal_in_mol_per_l

f70273 Location:

Summary Statistics: Mean 1.0E-4; Min. 1.0E-4; Valid 24.0; Max. 1.0E-4; StDev 0.0;

Variable Format: numeric

Notes: UNF:6:l5kWECiQR2a68Hq+fyePhA==

pH

f70273 Location:

Summary Statistics: Valid 24.0; StDev 1.5108304655560048; Mean 6.25; Max. 8.0; Min. 4.0;

Variable Format: numeric

Notes: UNF:6:TdZCK3Ah29MelMJC23/yyQ==

cs

f70273 Location:

Summary Statistics: Mean 0.0185185; Valid 24.0; Max. 0.1; StDev 0.037401234686664515; Min. 1.0E-6

Variable Format: numeric

Notes: UNF:6:wdU8nYrmGfBbR9q/wve6Ww==

max_L

f70273 Location:

Summary Statistics: Min. 13.717200000000002; Mean 13.717200000000002; Valid 24.0; StDev 0.0; Max. 13.717200000000002;

Variable Format: numeric

Notes: UNF:6:fBFdCy2nhnstf9vHAQ7CuA==

fit_L

f70273 Location:

Summary Statistics: Min. 2.8991938267477773; Valid 24.0; Max. 9.556056764903216; StDev 2.182681495747785; Mean 6.082602003459205;

Variable Format: numeric

Notes: UNF:6:37TenacSBAskenMc5bRZLg==

best_L

f70273 Location:

Summary Statistics: Valid 24.0; StDev 2.1969658123003803; Mean 6.077481666666667; Min. 2.74344; Max. 9.602040000000002;

Variable Format: numeric

Notes: UNF:6:L1jkeYJSy1XufQFKv96SeQ==

best_index

f70273 Location:

Summary Statistics: StDev 6.863973370780412; Min. 2.0; Mean 13.375; Valid 24.0; Max. 25.0;

Variable Format: numeric

Notes: UNF:6:LBrwVayxB7OocWvt+Ga4Dw==

fit_a

f70273 Location:

Summary Statistics: Mean -1.6047061341619886; Max. -0.3925091280724263; StDev 0.5384020351475451; Min. -2.308793135901149; Valid 24.0

Variable Format: numeric

Notes: UNF:6:E/wV8KLF8qakzBd3IozJng==

fit_b

f70273 Location:

Summary Statistics: Mean 0.5175211624607147; StDev 0.39829491041392656; Max. 1.27664426084248; Min. 0.03293846135589534; Valid 24.0

Variable Format: numeric

Notes: UNF:6:SORjIs0bxwk8AH7IHI2GXA==

fit_c

f70273 Location:

Summary Statistics: Min. 0.1275039438142044; Mean 0.1679873675846648; StDev 0.037547050675630106; Max. 0.2576331276433074; Valid 24.0;

Variable Format: numeric

Notes: UNF:6:peu75GQDj0gVopCYW7rHEQ==

alpha

f70273 Location:

Summary Statistics: Mean 0.3447620336809245; Valid 24.0; Min. 0.0022353314197984114; StDev 0.3390656624043791; Max. 0.9907665895849298;

Variable Format: numeric

Notes: UNF:6:f2vb0+06s2mrF46jb02kXg==

alpha_err

f70273 Location:

Summary Statistics: Min. 2.309305743201589E-5; Max. 2.2358775191023785E-4; Valid 24.0; StDev 6.276060193380757E-5; Mean 1.1669580559125979E-4;

Variable Format: numeric

Notes: UNF:6:bIiwgHxovAEwnZD4uEGQGg==

RE

f70273 Location:

Summary Statistics: Mean 6.075916583077953; Max. 9.599410024091222; StDev 2.196527959733423; Min. 2.7423835704707122; Valid 24.0;

Variable Format: numeric

Notes: UNF:6:VKicCnYnvrpVxlYu76H91w==

RE_err

f70273 Location:

Summary Statistics: Max. 3.921864934986443E-5; Valid 24.0; Mean 3.718529754846494E-5; StDev 3.156404078164962E-6; Min. 2.6153197116297004E-5

Variable Format: numeric

Notes: UNF:6:OHJry3YxXQrjzqnQdVZSfw==

Q_V

f70273 Location:

Summary Statistics: Mean 157.92681208528901; Max. 454.13092538856193; StDev 134.95665946420084; Valid 24.0; Min. 10.591974936176364;

Variable Format: numeric

Notes: UNF:6:6X2IgtOEBCXJNA6oHO2l/A==

Q_RE

f70273 Location:

Summary Statistics: Max. 0.7177520735031685; Min. 0.20504921543162447; Mean 0.4542989324335424; StDev 0.16423535338627251; Valid 24.0

Variable Format: numeric

Notes: UNF:6:W4+19L7AHdZYoNqqjp1j7Q==

pH_sys

f70273 Location:

Summary Statistics: Mean 4.210835067580707; Valid 24.0; Min. 2.188701556952404; Max. 7.478788570167238; StDev 1.6525043248849411;

Variable Format: numeric

Notes: UNF:6:U9PC+juRvuKhE4MDiatxjQ==

pOH_sys

f70273 Location:

Summary Statistics: Max. 0.0; Min. 0.0; Valid 24.0; Mean 0.0; StDev 0.0;

Variable Format: numeric

Notes: UNF:6:kQkuQoaBB/vGxPpeEXpcJA==

Index

f70276 Location:

Summary Statistics: Mean 32.0; Min. 0.0; Max. 64.0; Valid 65.0; StDev 18.907670401189037;

Variable Format: numeric

Notes: UNF:6:EGqp2p0befr8gwFczBBZLA==

MPC

f70276 Location:

Summary Statistics: Mean 40.0; Min. 40.0; Max. 40.0; StDev 0.0; Valid 65.0

Variable Format: numeric

Notes: UNF:6:u7mxfshnP2kLObtqJZA2sg==

Kcideal_in_mol_per_l

f70276 Location:

Summary Statistics: Min. 1.0E-4; Valid 65.0; Max. 1.0E-4; StDev 0.0; Mean 1.0E-4

Variable Format: numeric

Notes: UNF:6:Wg2+IJZwQ6hRS7W+zL7vtA==

pH

f70276 Location:

Summary Statistics: Valid 65.0; Min. 1.0; StDev 3.770775782249589; Mean 7.0; Max. 13.0;

Variable Format: numeric

Notes: UNF:6:4/gIqbW4Q8gJzKFnDj898w==

cs

f70276 Location:

Summary Statistics: Mean 0.07599999969520001; Max. 0.19999999964700002; Valid 65.0; Min. 0.009999999667000003; StDev 0.06999553554505995;

Variable Format: numeric

Notes: UNF:6:SHbueWNKUEQ0R2K/B6OwGw==

max_L

f70276 Location:

Summary Statistics: Valid 65.0; StDev 0.0; Min. 13.717200000000002; Mean 13.717200000000002; Max. 13.717200000000002

Variable Format: numeric

Notes: UNF:6:t1wMV2R3QArn1mhvsh1yLA==

fit_L

f70276 Location:

Summary Statistics: Min. 2.6075182843829707; Max. 9.237186918525166; Mean 5.76501503728473; Valid 65.0; StDev 2.067554428831036;

Variable Format: numeric

Notes: UNF:6:AmYOD0++JbUvFxMHdr9k4Q==

best_L

f70276 Location:

Summary Statistics: Valid 65.0; Min. 2.54748; Mean 5.760219076923078; StDev 2.067105103712356; Max. 9.316265000000001

Variable Format: numeric

Notes: UNF:6:jtZgDfmqOTP95VeaUM5ymQ==

best_index

f70276 Location:

Summary Statistics: Valid 65.0; Max. 23.0; Min. 4.0; StDev 5.29799490373481; Mean 12.199999999999998

Variable Format: numeric

Notes: UNF:6:poqCvV3uJ1pfDAHZKDUEhw==

fit_a

f70276 Location:

Summary Statistics: Valid 65.0; Min. -8.832462284033854; Max. 3.9872095264160596; StDev 1.5618233455591723; Mean -2.26805148620745;

Variable Format: numeric

Notes: UNF:6:6mmPumkY7Tqmc/E728ag2Q==

fit_b

f70276 Location:

Summary Statistics: Mean 1.0327218558149975; Valid 65.0; Min. 0.024987419915578415; StDev 4.274842780585417; Max. 34.88818681356674;

Variable Format: numeric

Notes: UNF:6:vQ5wjQ2AnY2rjnpV7d7H9g==

fit_c

f70276 Location:

Summary Statistics: StDev 0.1928874206016934; Mean 0.1755389302227621; Valid 65.0; Max. 0.27673275950788645; Min. -1.3052678192938507;

Variable Format: numeric

Notes: UNF:6:4rPjZ4MKgI2ZRAYKyF9tGw==

alpha

f70276 Location:

Summary Statistics: Max. 1.0; StDev 0.42330029968529453; Mean 0.6189729767655935; Min. 0.0011492493633969206; Valid 65.0;

Variable Format: numeric

Notes: UNF:6:ipchkt2Lmaus9cZloNH7gQ==

alpha_err

f70276 Location:

Summary Statistics: Min. 0.0; Max. 7.285778869912331E-4; Mean 2.006292684255619E-4; Valid 65.0; StDev 2.3856235863760708E-4;

Variable Format: numeric

Notes: UNF:6:+JbHSmYPnILS4cUAROg4cw==

RE

f70276 Location:

Summary Statistics: Mean 5.758256188395619; Valid 65.0; StDev 2.0665342371180735; Max. 9.313315278696379; Min. 2.5464284047308454

Variable Format: numeric

Notes: UNF:6:Q2TIeRD/X8ibExN0YwuO8Q==

RE_err

f70276 Location:

Summary Statistics: Valid 65.0; Min. 3.6815175712817796E-5; StDev 3.60972040308901E-5; Max. 1.4974970589075993E-4; Mean 9.971208028557055E-5

Variable Format: numeric

Notes: UNF:6:McC8/M5LDOO7/Q9e8OwXpg==

Q_V

f70276 Location:

Summary Statistics: StDev 118.08629635405512; Valid 65.0; Min. 8.480528037456077; Mean 135.1388908688768; Max. 414.7783174092249

Variable Format: numeric

Notes: UNF:6:5NJIvDtCVNrS36DILynukw==

Q_RE

f70276 Location:

Summary Statistics: StDev 0.15451566606013437; Valid 65.0; Max. 0.6963606446330438; Mean 0.43054732620140157; Min. 0.19039756223934803;

Variable Format: numeric

Notes: UNF:6:prQBroDiOcc++khyPAkmIA==

pH_sys

f70276 Location:

Summary Statistics: Mean 6.5244917153670094; StDev 3.5801407652548236; Min. 1.118151631069646; Max. 12.592925098276035; Valid 65.0;

Variable Format: numeric

Notes: UNF:6:adL75nDSskVLhEIVlqN7Ow==

pOH_sys

f70276 Location:

Summary Statistics: Min. 0.0; Valid 65.0; StDev 0.0; Max. 0.0; Mean 0.0

Variable Format: numeric

Notes: UNF:6:HKabY7oGrih+AnAVfHwgFw==

Index

f70293 Location:

Summary Statistics: StDev 20.92844953645635; Min. 0.0; Valid 72.0; Max. 71.0; Mean 35.5;

Variable Format: numeric

Notes: UNF:6:vOazblhqJNpOW/XhJ2UfEg==

MPC

f70293 Location:

Summary Statistics: Mean 40.0; Max. 40.0; Min. 40.0; Valid 72.0; StDev 0.0

Variable Format: numeric

Notes: UNF:6:AGpUSo674DVapYgquAQduA==

Kcideal_in_mol_per_l

f70293 Location:

Summary Statistics: Valid 72.0; Mean 1.0E-4; Max. 1.0E-4; StDev 0.0; Min. 1.0E-4

Variable Format: numeric

Notes: UNF:6:G+qqPv9uRll4d9CEAIDTYQ==

pH

f70293 Location:

Summary Statistics: Max. 8.0; Valid 72.0; Mean 5.5; StDev 1.719810012435455; Min. 3.0;

Variable Format: numeric

Notes: UNF:6:qulx1JhBGYXU1qyvHivTDg==

cs

f70293 Location:

Summary Statistics: Min. 1.0E-6; Max. 0.005; StDev 0.0014158056881079669; Valid 72.0; Mean 7.406666666666667E-4

Variable Format: numeric

Notes: UNF:6:tU1biJL0BUxukswQIm5vyQ==

max_L

f70293 Location:

Summary Statistics: Valid 72.0; StDev 0.0; Mean 13.717200000000002; Max. 13.717200000000002; Min. 13.717200000000002

Variable Format: numeric

Notes: UNF:6:5eeuNJ1Ig549RligXcCOng==

fit_L

f70293 Location:

Summary Statistics: Mean 6.18257939971665; StDev 1.8825678706926356; Valid 72.0; Min. 4.658829853335308; Max. 9.99962160723525;

Variable Format: numeric

Notes: UNF:6:97UcHDaAJisQT15yE96sYQ==

best_L

f70293 Location:

Summary Statistics: StDev 1.894542349970736; Valid 72.0; Min. 4.5770529; Mean 6.167105; Max. 9.9267609

Variable Format: numeric

Notes: UNF:6:zMHEZlvPinxlhgnrEhKoIg==

best_index

f70293 Location:

Summary Statistics: StDev 7.08278788289281; Max. 26.0; Min. 6.0; Mean 11.94444444444444; Valid 72.0

Variable Format: numeric

Notes: UNF:6:w/We4GEhpd/TfqtRNYYuFA==

fit_a

f70293 Location:

Summary Statistics: Mean -3.200381979721844; Min. -4.111831211833715; Valid 72.0; Max. -2.073142445413653; StDev 0.7363598485182503

Variable Format: numeric

Notes: UNF:6:r5XYwileytTHZY/UpcIAoQ==

fit_b

f70293 Location:

Summary Statistics: Mean 0.5867817842869594; Valid 72.0; Min. 0.3673522775193946; Max. 1.3656046951896368; StDev 0.2994134341718922;

Variable Format: numeric

Notes: UNF:6:klWw4dOiBG5MxLTof6U+aA==

fit_c

f70293 Location:

Summary Statistics: Mean 0.2541322379450638; Min. 0.23694772469857447; StDev 0.020935937339599257; Max. 0.31221085621794803; Valid 72.0

Variable Format: numeric

Notes: UNF:6:V9jPCxjKqaurem5CwndaPA==

alpha

f70293 Location:

Summary Statistics: Max. 0.9918428440871436; StDev 0.3098815902309899; Mean 0.22362495061486548; Min. 0.00838264978056088; Valid 72.0;

Variable Format: numeric

Notes: UNF:6:WuL1EvQGPiIDvV9BgcsNhA==

alpha_err

f70293 Location:

Summary Statistics: Mean 0.0; StDev 0.0; Max. 0.0; Min. 0.0; Valid 72.0;

Variable Format: numeric

Notes: UNF:6:JK31HxKD3f1aFUkqZqalYQ==

RE

f70293 Location:

Summary Statistics: StDev 1.8945423499707363; Valid 72.0; Max. 8.9607609; Mean 5.201105; Min. 3.6110529

Variable Format: numeric

Notes: UNF:6:y6rtyyPkMzkb0VnA7xYtFw==

RE_err

f70293 Location:

Summary Statistics: Min. 0.0; StDev 0.0; Valid 72.0; Max. 0.0; Mean 0.0;

Variable Format: numeric

Notes: UNF:6:JK31HxKD3f1aFUkqZqalYQ==

Q_V

f70293 Location:

Summary Statistics: Mean 120.66736383574961; Valid 72.0; Max. 413.10111267172425; StDev 126.7234778630299; Min. 31.709902401445614;

Variable Format: numeric

Notes: UNF:6:hRwaxRKQ2MsJLsZj6vC+lw==

Q_RE

f70293 Location:

Summary Statistics: Mean 0.38888888888888884; Min. 0.26999999999999996; Valid 72.0; Max. 0.6699999999999999; StDev 0.14165575765785618;

Variable Format: numeric

Notes: UNF:6:UjJBhLjycvLVSwAoQaR53w==

pH_sys

f70293 Location:

Summary Statistics: Valid 72.0; Min. 1.9280074749919385; StDev 1.2699406776018587; Mean 3.1477120235010183; Max. 6.6348026058284

Variable Format: numeric

Notes: UNF:6:OJxlrfFBG94UkdbK5d5SKg==

pOH_sys

f70293 Location:

Summary Statistics: StDev 0.0; Max. 0.0; Min. 0.0; Mean 0.0; Valid 72.0;

Variable Format: numeric

Notes: UNF:6:JK31HxKD3f1aFUkqZqalYQ==

Index

f70274 Location:

Summary Statistics: StDev 22.66053838724932; Mean 38.5; Valid 78.0; Max. 77.0; Min. 0.0

Variable Format: numeric

Notes: UNF:6:UwLj3pIdhDOryfzlUMNHbQ==

MPC

f70274 Location:

Summary Statistics: Min. 40.0; Mean 40.0; StDev 0.0; Valid 78.0; Max. 40.0

Variable Format: numeric

Notes: UNF:6:pWL2TnZnWEVBVebPfHVLQg==

Kcideal_in_mol_per_l

f70274 Location:

Summary Statistics: Mean 1.0E-4; StDev 0.0; Valid 78.0; Max. 1.0E-4; Min. 1.0E-4;

Variable Format: numeric

Notes: UNF:6:1wJYxIvrp8LKJ3SqhwFU6Q==

pH

f70274 Location:

Summary Statistics: Valid 78.0; Max. 13.0; Mean 7.0; Min. 1.0; StDev 3.765875486765087;

Variable Format: numeric

Notes: UNF:6:s9vcnh53rtcl6gYnbsMSDA==

cs

f70274 Location:

Summary Statistics: Max. 0.2; Min. 1.0E-6; Mean 0.0633335; Valid 78.0; StDev 0.06989153811233369;

Variable Format: numeric

Notes: UNF:6:Jk7K2kGP6NvcwUsKaSxkLw==

max_L

f70274 Location:

Summary Statistics: Max. 13.717200000000002; Min. 13.717200000000002; StDev 0.0; Mean 13.717200000000002; Valid 78.0

Variable Format: numeric

Notes: UNF:6:d/I8bkQRJnsjFHbIZ5zzBA==

fit_L

f70274 Location:

Summary Statistics: Min. 4.580338158503752; Valid 78.0; Max. 10.154033601594803; Mean 6.966381380822529; StDev 1.7985689095144974

Variable Format: numeric

Notes: UNF:6:w03u7KzPp4Ikctgo9T+9ew==

best_L

f70274 Location:

Summary Statistics: Min. 4.5770529; Valid 78.0; Mean 6.9569871; StDev 1.8000802635923059; Max. 10.1942463

Variable Format: numeric

Notes: UNF:6:xIVLTN/C1UYds65l1+vR4Q==

best_index

f70274 Location:

Summary Statistics: Mean 14.89743589743589; StDev 6.729639313369278; Min. 6.0; Valid 78.0; Max. 27.0

Variable Format: numeric

Notes: UNF:6:/1bC+usjFhdgZmZjNMK3AQ==

fit_a

f70274 Location:

Summary Statistics: Min. -4.45506060858807; Max. -2.119275609734064; StDev 0.5042604801159497; Mean -3.4008599544179843; Valid 78.0;

Variable Format: numeric

Notes: UNF:6:Lr+n45aQebKkpQFW2w+WqQ==

fit_b

f70274 Location:

Summary Statistics: Mean 0.7168023346923352; Max. 1.371564463314452; Valid 78.0; StDev 0.3109618963339887; Min. 0.3848917024503419;

Variable Format: numeric

Notes: UNF:6:ll3S/BJ51OsPqFsaLF4W2g==

fit_c

f70274 Location:

Summary Statistics: StDev 3.432341882769674; Min. 0.23604869096214878; Mean 1.340513833090661; Valid 78.0; Max. 12.899188387100898

Variable Format: numeric

Notes: UNF:6:YISkxITDpJ7kX0I1lO94DQ==

alpha

f70274 Location:

Summary Statistics: Min. 9.918761797669472E-4; Valid 78.0; StDev 0.443629616009196; Max. 0.9999999967573266; Mean 0.6215880519402234

Variable Format: numeric

Notes: UNF:6:xb4Vmsu9nne4/aMcfgmtdw==

alpha_err

f70274 Location:

Summary Statistics: Mean 0.0; StDev 0.0; Min. 0.0; Max. 0.0; Valid 78.0

Variable Format: numeric

Notes: UNF:6:iXtE5fOQGQErAJNOo/Jlnw==

RE

f70274 Location:

Summary Statistics: Mean 5.990987100000001; Max. 9.2282463; Valid 78.0; StDev 1.8000802635923063; Min. 3.6110529

Variable Format: numeric

Notes: UNF:6:d2MpRMaYU7vVjqAsYPHg9g==

RE_err

f70274 Location:

Summary Statistics: StDev 0.0; Min. 0.0; Max. 0.0; Valid 78.0; Mean 0.0

Variable Format: numeric

Notes: UNF:6:iXtE5fOQGQErAJNOo/Jlnw==

Q_V

f70274 Location:

Summary Statistics: StDev 117.80569884706418; Mean 161.39710807482763; Max. 449.7658664114271; Valid 78.0; Min. 31.709902401445614;

Variable Format: numeric

Notes: UNF:6:qtswbnQ4KFW8oF+t1hDxZQ==

Q_RE

f70274 Location:

Summary Statistics: Max. 0.69; Min. 0.26999999999999996; StDev 0.13459278626738558; Valid 78.0; Mean 0.44794871794871793

Variable Format: numeric

Notes: UNF:6:Xo8P4juZmB1yHotKDMetXQ==

pH_sys

f70274 Location:

Summary Statistics: Min. 0.9969859387149196; Valid 78.0; Max. 12.718394034160886; Mean 6.1952435387196925; StDev 3.716708663385269

Variable Format: numeric

Notes: UNF:6:YOjwHpuxPGHJvBp3xoEUNA==

pOH_sys

f70274 Location:

Summary Statistics: Valid 78.0; Min. 0.0; StDev 0.0; Max. 0.0; Mean 0.0

Variable Format: numeric

Notes: UNF:6:iXtE5fOQGQErAJNOo/Jlnw==

Index

f70262 Location:

Summary Statistics: Valid 71.0; StDev 19.884576391505494; Min. 0.0; Mean 29.507042253521114; Max. 64.0;

Variable Format: numeric

Notes: UNF:6:8CkTWZqaALo8oiQyVYruBA==

MPC

f70262 Location:

Summary Statistics: StDev 0.0; Mean 40.0; Max. 40.0; Valid 71.0; Min. 40.0

Variable Format: numeric

Notes: UNF:6:op/M7P2Be9DPzTbAYlJP6g==

Kcideal_in_mol_per_l

f70262 Location:

Summary Statistics: Min. 1.0E-4; Valid 71.0; Max. 1.0E-4; Mean 1.0E-4; StDev 0.0

Variable Format: numeric

Notes: UNF:6:dO028ALzS8BOY4ZM4tueIA==

pH

f70262 Location:

Summary Statistics: Max. 13.0; Valid 71.0; Min. 1.0; Mean 6.915492957746478; StDev 3.616416848891966;

Variable Format: numeric

Notes: UNF:6:MKuOEPkD9PwFN+kXN0m17w==

cs

f70262 Location:

Summary Statistics: Mean 0.07114240817166348; StDev 0.06966786590428556; Valid 71.0; Max. 0.199999999647; Min. 1.00000000000096E-6;

Variable Format: numeric

Notes: UNF:6:xMxbIRz0Qg0zbBESaKkWEA==

max_L

f70262 Location:

Summary Statistics: StDev 0.0; Mean 31.678516450111733; Max. 31.678516450111733; Min. 31.678516450111733; Valid 71.0

Variable Format: numeric

Notes: UNF:6:W3gtDlh/RogxBy2tIwNg1w==

fit_L

f70262 Location:

Summary Statistics: Mean 13.797030081460614; StDev 4.106737947672049; Max. 20.352911494201948; Valid 71.0; Min. 7.230408048007967

Variable Format: numeric

Notes: UNF:6:kXVBv7mjwW6SQyYluNL+hw==

best_L

f70262 Location:

Summary Statistics: Max. 20.180612486138003; StDev 4.104532919528469; Valid 71.0; Mean 13.827983062681001; Min. 7.063214370162501

Variable Format: numeric

Notes: UNF:6:z31V//HJx3fCf2T+xONkAA==

best_index

f70262 Location:

Summary Statistics: Mean 14.253521126760559; Min. 1.0; StDev 8.18486112956485; Max. 27.0; Valid 71.0;

Variable Format: numeric

Notes: UNF:6:NMKn+Vs1EAsnfazQUWMOjA==

fit_a

f70262 Location:

Summary Statistics: Min. -2.9206588075609976; StDev 0.43028472509638355; Valid 71.0; Mean -1.4019628250682807; Max. -0.7953606272446797

Variable Format: numeric

Notes: UNF:6:rR2g+Xn7bnVTIINWrZSrzA==

fit_b

f70262 Location:

Summary Statistics: StDev 0.15651532750150854; Max. 0.5882089159112894; Valid 71.0; Min. 0.037481202800951616; Mean 0.27384055131426843

Variable Format: numeric

Notes: UNF:6:id3fLZm3GPkkN94pd4oWiA==

fit_c

f70262 Location:

Summary Statistics: StDev 0.040902700558098304; Valid 71.0; Mean 0.23722170293871447; Max. 0.2895249133420531; Min. 0.16970680070242314

Variable Format: numeric

Notes: UNF:6:D9HzGyf+zabKUrnbaY+qGg==

alpha

f70262 Location:

Summary Statistics: Valid 71.0; Min. 0.001252690622; Mean 0.5806200717867215; Max. 1.0; StDev 0.422981047490992

Variable Format: numeric

Notes: UNF:6:u4e4EAlktlf505uSJsL7+w==

alpha_err

f70262 Location:

Summary Statistics: Mean 0.001309816576620494; Min. 0.0; Valid 71.0; Max. 0.0140366610494; StDev 0.0027151137703416623

Variable Format: numeric

Notes: UNF:6:ANtwj9X/iwPzOT0hSPlY5Q==

RE

f70262 Location:

Summary Statistics: Max. 8.964480100526; Min. 3.4800344903912004; Valid 71.0; StDev 1.7340076283164063; Mean 6.3965140270039

Variable Format: numeric

Notes: UNF:6:PXwfkHVLjsR0C5Jua0NoWg==

RE_err

f70262 Location:

Summary Statistics: Mean 0.016564234527372403; Max. 0.048077735923845004; Min. 0.00171904099976055; StDev 0.010582068432869983; Valid 71.0

Variable Format: numeric

Notes: UNF:6:3x6zHsa3ttQivYgRhTTUJw==

Q_V

f70262 Location:

Summary Statistics: Mean 138.0160406168025; Max. 342.29100160735766; Valid 71.0; Min. 14.67572669400397; StDev 98.61951313625464

Variable Format: numeric

Notes: UNF:6:4mtT4lvXucDgg4z55YfVZA==

Q_RE

f70262 Location:

Summary Statistics: StDev 0.12965250651560095; Valid 71.0; Min. 0.26020369638052765; Mean 0.4782701431183833; Max. 0.6702780862451557

Variable Format: numeric

Notes: UNF:6:gPu3nebtto14Nu8hWgv5Rg==

pH_sys

f70262 Location:

Summary Statistics: Min. 1.0844536213884666; Valid 71.0; Max. 12.669697608827436; StDev 3.5476479630404603; Mean 6.261221702365176;

Variable Format: numeric

Notes: UNF:6:jGfym3zUiMyzjay/lS7/XQ==

pOH_sys

f70262 Location:

Summary Statistics: Mean 0.0; Max. 0.0; Min. 0.0; Valid 71.0; StDev 0.0

Variable Format: numeric

Notes: UNF:6:ST2D50jCfvI3kHXJVeZ/YQ==

Index

f70267 Location:

Summary Statistics: StDev 21.825184024839764; Mean 37.060000000000045; Max. 77.0; Min. 0.0; Valid 150.0;

Variable Format: numeric

Notes: UNF:6:ikZJeyAAlh5+vjueJH25vw==

MPC

f70267 Location:

Summary Statistics: Max. 40.0; StDev 0.0; Valid 150.0; Mean 40.0; Min. 40.0;

Variable Format: numeric

Notes: UNF:6:hAbvtMH62NDuFUmuSoTrlA==

Kcideal_in_mol_per_l

f70267 Location:

Summary Statistics: Valid 150.0; Max. 1.0E-4; Mean 1.0E-4; StDev 0.0; Min. 1.0E-4;

Variable Format: numeric

Notes: UNF:6:sq5XDlr0WAgkLBU6UrXmlA==

pH

f70267 Location:

Summary Statistics: Valid 150.0; StDev 3.0501842831333703; Min. 1.0; Mean 6.279999999999999; Max. 13.0

Variable Format: numeric

Notes: UNF:6:2q13zmBGmVXlTDVZeHt0rw==

cs

f70267 Location:

Summary Statistics: StDev 0.059243485142604635; Valid 150.0; Min. 1.0E-6; Mean 0.033288939999999996; Max. 0.2;

Variable Format: numeric

Notes: UNF:6:/MN8fUVpQDkRLQjH9K9p1g==

max_L

f70267 Location:

Summary Statistics: Max. 13.717200000000002; Valid 150.0; Mean 13.717200000000002; Min. 13.717200000000002; StDev 0.0

Variable Format: numeric

Notes: UNF:6:B2nK8c4b0KVBGQl6bbqS1Q==

fit_L

f70267 Location:

Summary Statistics: StDev 2.339675451315929; Min. 4.580341377601394; Mean 7.117652721710291; Valid 150.0; Max. 10.97289188830078;

Variable Format: numeric

Notes: UNF:6:tiMJmVNRubXQiUWJBhDo8w==

best_L

f70267 Location:

Summary Statistics: Mean 7.094982132; StDev 2.351198956807207; Max. 10.9967025; Min. 4.5770529; Valid 150.0

Variable Format: numeric

Notes: UNF:6:0YOFVL57aLaGjj660M1DmQ==

best_index

f70267 Location:

Summary Statistics: StDev 8.948462930264489; Valid 150.0; Mean 15.786666666666658; Min. 6.0; Max. 44.0

Variable Format: numeric

Notes: UNF:6:074mV/6oTMiLb/4ZmwROzA==

fit_a

f70267 Location:

Summary Statistics: Min. -4.5133239251413055; Mean -3.6770756827601345; Valid 150.0; Max. -1.645417161376518; StDev 0.731792080162799

Variable Format: numeric

Notes: UNF:6:Ml98nmsPd+dc5We/TaTREw==

fit_b

f70267 Location:

Summary Statistics: StDev 0.6661995479821538; Min. 0.3519257563334824; Mean 0.94993020272275; Max. 2.3772252679597856; Valid 150.0;

Variable Format: numeric

Notes: UNF:6:WJIVEmCp16G1XnG03ZihtQ==

fit_c

f70267 Location:

Summary Statistics: Min. 0.1967044237686887; Valid 150.0; Mean 0.4175219399429462; Max. 12.895810689457333; StDev 1.1758512258949723

Variable Format: numeric

Notes: UNF:6:Y5V/r9rWPvYepd29OgT9+w==

alpha

f70267 Location:

Summary Statistics: Min. 9.920957271547578E-4; StDev 0.4459666826690941; Max. 0.9999999983604873; Valid 150.0; Mean 0.4638946815708148;

Variable Format: numeric

Notes: UNF:6:U0j7gqBDIDWBTfec5tA67A==

alpha_err

f70267 Location:

Summary Statistics: StDev 0.0; Max. 0.0; Mean 0.0; Valid 150.0; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:YxQGuWWI9HwVxdKL9sR1Jw==

RE

f70267 Location:

Summary Statistics: Min. 3.6110529000000002; StDev 2.351198956807207; Max. 10.0307025; Mean 6.128982132; Valid 150.0

Variable Format: numeric

Notes: UNF:6:t1tZc804azo4uMVkI6TXTw==

RE_err

f70267 Location:

Summary Statistics: Mean 0.0; StDev 0.0; Max. 0.0; Valid 150.0; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:YxQGuWWI9HwVxdKL9sR1Jw==

Q_V

f70267 Location:

Summary Statistics: Max. 572.641897885362; Mean 195.68728006013063; StDev 182.04100940185904; Valid 150.0; Min. 31.709902401445607

Variable Format: numeric

Notes: UNF:6:7K8QwEuNrUG/VZqQ1MO22A==

Q_RE

f70267 Location:

Summary Statistics: Mean 0.4582666666666667; Valid 150.0; Max. 0.75; StDev 0.17580017128465386; Min. 0.27

Variable Format: numeric

Notes: UNF:6:ltTgkuA7JCSYy+FKuGwB7g==

pH_sys

f70267 Location:

Summary Statistics: Max. 12.793678190478563; Valid 150.0; Mean 4.78445260358973; StDev 3.244078558185329; Min. 0.996985600425345;

Variable Format: numeric

Notes: UNF:6:QGiX8W//FOxl33Zdq597FQ==

pOH_sys

f70267 Location:

Summary Statistics: Mean 0.0; Min. 0.0; Valid 150.0; StDev 0.0; Max. 0.0

Variable Format: numeric

Notes: UNF:6:YxQGuWWI9HwVxdKL9sR1Jw==

Index

f70292 Location:

Summary Statistics: Min. 0.0; Max. 64.0; StDev 18.888482474080508; Valid 89.0; Mean 26.471910112359573

Variable Format: numeric

Notes: UNF:6:veh1D+quCw6g53EcmmKeLA==

MPC

f70292 Location:

Summary Statistics: Mean 40.0; Max. 40.0; StDev 0.0; Min. 40.0; Valid 89.0;

Variable Format: numeric

Notes: UNF:6:fcbVso+vc0HU6eQ4ONSUfw==

Kcideal_in_mol_per_l

f70292 Location:

Summary Statistics: Min. 1.0E-4; Valid 89.0; Mean 1.0E-4; Max. 1.0E-4; StDev 0.0

Variable Format: numeric

Notes: UNF:6:xUCvBtJUaidgGRlpwnILsg==

pH

f70292 Location:

Summary Statistics: Min. 1.0; StDev 3.324084888701423; Max. 13.0; Mean 6.797752808988767; Valid 89.0

Variable Format: numeric

Notes: UNF:6:qJlS1Nkdgi0+crYhv1d12w==

cs

f70292 Location:

Summary Statistics: Min. 1.0E-6; Max. 0.199999999647; Valid 89.0; Mean 0.06049937056391012; StDev 0.06772677105254271

Variable Format: numeric

Notes: UNF:6:Q/pgnYqtGw1rNgb0fIb8/Q==

max_L

f70292 Location:

Summary Statistics: StDev 0.0; Min. 13.717200000000002; Max. 13.717200000000002; Valid 89.0; Mean 13.717200000000002

Variable Format: numeric

Notes: UNF:6:39xQV5E/wq2Y74e6owypUg==

fit_L

f70292 Location:

Summary Statistics: Max. 9.556056764903216; Mean 5.850656466365487; StDev 2.091454960926287; Valid 89.0; Min. 2.6075182843829707;

Variable Format: numeric

Notes: UNF:6:kmaCJ+qbyZrDvwu1T+akDg==

best_L

f70292 Location:

Summary Statistics: StDev 2.09502808648829; Max. 9.602040000000002; Valid 89.0; Mean 5.845773033707866; Min. 2.5474799999999997

Variable Format: numeric

Notes: UNF:6:miL2/EDxsbT9Pxmi36QJLA==

best_index

f70292 Location:

Summary Statistics: Max. 25.0; Valid 89.0; Min. 2.0; Mean 12.51685393258427; StDev 5.744784906865454;

Variable Format: numeric

Notes: UNF:6:6u4cZe4bkrBypYqkjORqVg==

fit_a

f70292 Location:

Summary Statistics: Mean -2.0891718407120448; StDev 1.3919194460197444; Min. -8.832462284033854; Valid 89.0; Max. 3.98720952641606

Variable Format: numeric

Notes: UNF:6:xsTX+UMSuu7qNFiWkFO/YA==

fit_b

f70292 Location:

Summary Statistics: Max. 34.88818681356674; StDev 3.658513073499753; Mean 0.8937913317644045; Min. 0.024987419915578412; Valid 89.0;

Variable Format: numeric

Notes: UNF:6:hXI1sOFsWoDb9lxrTvhq7g==

fit_c

f70292 Location:

Summary Statistics: StDev 0.16564543773032328; Min. -1.3052678192938507; Valid 89.0; Mean 0.173502553781028; Max. 0.27673275950788645

Variable Format: numeric

Notes: UNF:6:HAhM9Dn5Vh9XimyjQiJAJg==

alpha

f70292 Location:

Summary Statistics: Min. 0.0011492493633969206; Valid 89.0; StDev 0.4187358421488428; Max. 1.0; Mean 0.5450284527877053;

Variable Format: numeric

Notes: UNF:6:UbqyTOr0M4cPjwj+fD/6Yg==

alpha_err

f70292 Location:

Summary Statistics: Mean 1.779955256387838E-4; StDev 2.093400024349007E-4; Max. 7.285778869912331E-4; Min. 0.0; Valid 89.0

Variable Format: numeric

Notes: UNF:6:eXT+ss36CUtvQFKO0y8WHQ==

RE

f70292 Location:

Summary Statistics: Valid 89.0; Mean 5.843917418422317; Min. 2.5464284047308454; Max. 9.599410024091222; StDev 2.0945104486168464;

Variable Format: numeric

Notes: UNF:6:x8axqEhxgAcRrS3y0vl1Wg==

RE_err

f70292 Location:

Summary Statistics: Max. 1.497497058907599E-4; Valid 89.0; StDev 4.158089900411359E-5; Mean 8.285092539017128E-5; Min. 2.6153197116297008E-5;

Variable Format: numeric

Notes: UNF:6:fhBQPC+tmd0uDU6NgqgtLw==

Q_V

f70292 Location:

Summary Statistics: Max. 454.13092538856193; Mean 141.28394827554976; Valid 89.0; Min. 8.480528037456077; StDev 122.49526640589724

Variable Format: numeric

Notes: UNF:6:Bsw7ZVgdE2baIAj2cyLMfQ==

Q_RE

f70292 Location:

Summary Statistics: Max. 0.7177520735031685; Mean 0.4369522537246755; Min. 0.19039756223934806; Valid 89.0; StDev 0.15660745959344669

Variable Format: numeric

Notes: UNF:6:lWo2jErRhVCS6z4rRbEghg==

pH_sys

f70292 Location:

Summary Statistics: Mean 5.900584304728007; Valid 89.0; Min. 1.118151631069646; StDev 3.3319217383105184; Max. 12.592925098276035

Variable Format: numeric

Notes: UNF:6:0JqJuBaJ+HcbOjgAhQM+hw==

pOH_sys

f70292 Location:

Summary Statistics: Max. 0.0; StDev 0.0; Min. 0.0; Valid 89.0; Mean 0.0

Variable Format: numeric

Notes: UNF:6:1c/9eWSsdF/AgaZMJ0dcuQ==

Index

f70256 Location:

Summary Statistics: Valid 150.0; StDev 21.825184024839764; Max. 77.0; Min. 0.0; Mean 37.060000000000045

Variable Format: numeric

Notes: UNF:6:ikZJeyAAlh5+vjueJH25vw==

MPC

f70256 Location:

Summary Statistics: Min. 40.0; Valid 150.0; StDev 0.0; Max. 40.0; Mean 40.0;

Variable Format: numeric

Notes: UNF:6:hAbvtMH62NDuFUmuSoTrlA==

Kcideal_in_mol_per_l

f70256 Location:

Summary Statistics: Min. 1.0E-4; Valid 150.0; Max. 1.0E-4; Mean 1.0E-4; StDev 0.0

Variable Format: numeric

Notes: UNF:6:sq5XDlr0WAgkLBU6UrXmlA==

pH

f70256 Location:

Summary Statistics: Valid 150.0; Mean 6.279999999999999; Max. 13.0; StDev 3.0501842831333703; Min. 1.0

Variable Format: numeric

Notes: UNF:6:2q13zmBGmVXlTDVZeHt0rw==

cs

f70256 Location:

Summary Statistics: Mean 0.033288939999999996; StDev 0.059243485142604635; Valid 150.0; Max. 0.2; Min. 1.0E-6

Variable Format: numeric

Notes: UNF:6:/MN8fUVpQDkRLQjH9K9p1g==

max_L

f70256 Location:

Summary Statistics: Valid 150.0; Min. 13.717200000000002; Max. 13.717200000000002; Mean 13.717200000000002; StDev 0.0

Variable Format: numeric

Notes: UNF:6:B2nK8c4b0KVBGQl6bbqS1Q==

fit_L

f70256 Location:

Summary Statistics: StDev 1.8747938474104735; Min. 4.580338158503752; Valid 150.0; Max. 10.154033601594804; Mean 6.5901564298917075

Variable Format: numeric

Notes: UNF:6:9rXkYCsjrazQgJ0nE3GN/Q==

best_L

f70256 Location:

Summary Statistics: Min. 4.5770529; Mean 6.577843692000001; Valid 150.0; Max. 10.1942463; StDev 1.8819189487327512;

Variable Format: numeric

Notes: UNF:6:dezLyxHTazfeXmkwENNo9g==

best_index

f70256 Location:

Summary Statistics: Min. 6.0; StDev 7.035595022131123; Valid 150.0; Mean 13.479999999999992; Max. 27.0;

Variable Format: numeric

Notes: UNF:6:CXW4Ho1qY0HQi6TD/vcOeA==

fit_a

f70256 Location:

Summary Statistics: Min. -4.45506060858807; StDev 0.6323613731623762; Mean -3.304630526563837; Max. -2.073142445413653; Valid 150.0

Variable Format: numeric

Notes: UNF:6:ShpGki1P5ssJh7p918VNPQ==

fit_b

f70256 Location:

Summary Statistics: Min. 0.3673522775193946; Valid 150.0; Mean 0.6543924704977547; StDev 0.31134763324582004; Max. 1.3715644633144521

Variable Format: numeric

Notes: UNF:6:c9nhM9jQi9GVhWwYhDapxQ==

fit_c

f70256 Location:

Summary Statistics: Max. 12.8991883871009; Mean 0.8190506674207743; StDev 2.5268404745104784; Valid 150.0; Min. 0.2360486909621488

Variable Format: numeric

Notes: UNF:6:RPJvRkye5HvkppmlsfloRA==

alpha

f70256 Location:

Summary Statistics: Max. 0.9999999967573266; Valid 150.0; Min. 9.918761797669472E-4; Mean 0.4305657633040516; StDev 0.4327343368162006

Variable Format: numeric

Notes: UNF:6:6I22WGvEAtx6Xuk91mE81A==

alpha_err

f70256 Location:

Summary Statistics: Max. 0.0; Min. 0.0; StDev 0.0; Mean 0.0; Valid 150.0

Variable Format: numeric

Notes: UNF:6:YxQGuWWI9HwVxdKL9sR1Jw==

RE

f70256 Location:

Summary Statistics: Mean 5.611843692; Max. 9.2282463; StDev 1.881918948732753; Min. 3.6110529000000002; Valid 150.0

Variable Format: numeric

Notes: UNF:6:xgrYCiUgyT7f6iuQs0U0zA==

RE_err

f70256 Location:

Summary Statistics: Valid 150.0; StDev 0.0; Mean 0.0; Max. 0.0; Min. 0.0

Variable Format: numeric

Notes: UNF:6:YxQGuWWI9HwVxdKL9sR1Jw==

Q_V

f70256 Location:

Summary Statistics: Max. 449.76586641142717; Min. 31.709902401445607; Mean 141.84683084007014; Valid 150.0; StDev 123.45440054102791

Variable Format: numeric

Notes: UNF:6:NDoc8IYATDTSSeojMXvI4w==

Q_RE

f70256 Location:

Summary Statistics: Valid 150.0; Min. 0.27; Mean 0.41960000000000003; StDev 0.14071190044262244; Max. 0.69

Variable Format: numeric

Notes: UNF:6:WL21lNbNOPFmjrfO3dzYSg==

pH_sys

f70256 Location:

Summary Statistics: StDev 3.200146138620909; Max. 12.718394034160886; Valid 150.0; Min. 0.9969859387149196; Mean 4.732428411414729

Variable Format: numeric

Notes: UNF:6:IrzyScd9ogIiYEv5D2saxg==

pOH_sys

f70256 Location:

Summary Statistics: StDev 0.0; Min. 0.0; Max. 0.0; Mean 0.0; Valid 150.0

Variable Format: numeric

Notes: UNF:6:YxQGuWWI9HwVxdKL9sR1Jw==

#cs_bulk_[1/sigma^3]

f70264 Location:

Summary Statistics: Mean 0.008185908854716022; Min. 2.69541778976E-9; StDev 0.009441678105892935; Max. 0.0269541778976; Valid 25.0

Variable Format: numeric

Notes: UNF:6:0HD6jXmKjVpgMYa9wamvXA==

excess_chemical_potential_[kbT]

f70264 Location:

Summary Statistics: Min. -0.7298771071109483; Max. -4.351021137877513E-5; StDev 0.2928801039713857; Valid 25.0; Mean -0.42117337704265506

Variable Format: numeric

Notes: UNF:6:+hf15fYkp5GQcwLmHExYCg==

bjerrum_length

f70264 Location:

Summary Statistics: Valid 25.0; Max. 2.0; Mean 2.0; StDev 0.0; Min. 2.0

Variable Format: numeric

Notes: UNF:6:6exDVDD72S7FrwozlPQIaw==

error_excess_chemical_potential_[kbT]

f70264 Location:

Summary Statistics: Min. 6.921676554563794E-7; StDev 0.002645951323734632; Mean 0.003144125084692848; Max. 0.007753353976806658; Valid 25.0

Variable Format: numeric

Notes: UNF:6:Y3VKvxjCJgacCpT+txTprg==

excess_pressure_[kT/sigma^3]

f70264 Location:

Summary Statistics: Min. -0.0016716691498692077; Valid 25.0; StDev 6.803799929575994E-4; Mean -6.521227405755664E-4; Max. -3.8518275943188936E-14

Variable Format: numeric

Notes: UNF:6:q7fdy3Izanj4INl+fx0Qxg==

std_error_excess_pressure_[kT/sigma^3]

f70264 Location:

Summary Statistics: Valid 25.0; StDev 8.923177129648818E-6; Mean 6.8029355919550235E-6; Max. 2.506221438124658E-5; Min. 2.108526448153899E-16

Variable Format: numeric

Notes: UNF:6:0ZpySSnNrXJkn+0vzdjy5A==

RE_[m]

f70257 Location:

Summary Statistics: Max. 1.19031003E-8; Min. 2.0061405E-9; Valid 2964.0; StDev 2.9337013358168733E-9; Mean 6.954620400000039E-9

Variable Format: numeric

Notes: UNF:6:JLp+h6zljcLqFEdfXm+1AA==

Kcideal_in_mol_per_l

f70257 Location:

Summary Statistics: Min. 1.0E-4; StDev 0.0; Max. 1.0E-4; Valid 2964.0; Mean 1.0E-4

Variable Format: numeric

Notes: UNF:6:ydUbC8Sruby4W84tbiSaqQ==

cH_bulk

f70257 Location:

Summary Statistics: Max. 0.1; StDev 0.026536522037717964; Mean 0.00854700854700769; Valid 2964.0; Min. 1.0E-13

Variable Format: numeric

Notes: UNF:6:N5gkHl1zaQSPocxbcHT5SQ==

cs_bulk

f70257 Location:

Summary Statistics: StDev 0.06945378739695726; Min. 1.0E-6; Valid 2964.0; Mean 0.0633335; Max. 0.2;

Variable Format: numeric

Notes: UNF:6:t6T0HYWnePYnU33oV/9+Og==

pressure_[J/m^3]

f70257 Location:

Summary Statistics: StDev 3230809.509274511; Valid 2964.0; Mean 1133618.4343696032; Min. -315942.07661147835; Max. 2.085270050274814E7

Variable Format: numeric

Notes: UNF:6:S9R64gpV/YOxAq8jDoM5WQ==

alpha

f70257 Location:

Summary Statistics: Valid 2964.0; Mean 0.6355152337424448; Max. 0.9999999988876085; Min. 9.673849926397104E-4; StDev 0.4355933000754639;

Variable Format: numeric

Notes: UNF:6:+1N2XwNRESRHZbofbhKoaQ==

pH

f70257 Location:

Summary Statistics: Max. 13.0; StDev 3.7422887303010492; Mean 7.0; Min. 1.0; Valid 2964.0;

Variable Format: numeric

Notes: UNF:6:zTofm+3SKPNkd+0VmeGX+g==

pH_sys

f70257 Location:

Summary Statistics: Max. 12.96595686746693; Valid 2964.0; Min. 0.9860196790611732; Mean 6.111426848244196; StDev 3.606289527482785

Variable Format: numeric

Notes: UNF:6:ZMtNQXYvCIG9TKaslFlGvA==

pKa

f70257 Location:

Summary Statistics: StDev 0.0; Mean 4.0; Valid 2964.0; Min. 4.0; Max. 4.0

Variable Format: numeric

Notes: UNF:6:KxQHr1AYkTeMk1p/90OJ4Q==

RE_[m]

f70266 Location:

Summary Statistics: StDev 2.933701335816893E-9; Valid 2964.0; Min. 2.0061405E-9; Max. 1.19031003E-8; Mean 6.954620399999984E-9

Variable Format: numeric

Notes: UNF:6:7fVFr7pmQ7r2QJZs54YhXg==

Kcideal_in_mol_per_l

f70266 Location:

Summary Statistics: Valid 2964.0; StDev 0.0; Max. 1.0E-4; Mean 1.0E-4; Min. 1.0E-4

Variable Format: numeric

Notes: UNF:6:ydUbC8Sruby4W84tbiSaqQ==

cH_bulk

f70266 Location:

Summary Statistics: Mean 1.8518499999999987E-4; Min. 1.0E-8; Valid 2964.0; Max. 0.001; StDev 3.6619930050499474E-4;

Variable Format: numeric

Notes: UNF:6:gJMidkfl/ykNRLdj/pvMDw==

cs_bulk

f70266 Location:

Summary Statistics: Valid 2964.0; Mean 6.840769230769232E-4; StDev 0.0013651636397273939; Max. 0.005; Min. 1.0E-6

Variable Format: numeric

Notes: UNF:6:5jf1guTg3lnV5RVBeQFhdg==

pressure_[J/m^3]

f70266 Location:

Summary Statistics: Max. 1.9050644268993996E7; Valid 2964.0; StDev 1435579.712055298; Mean 381527.7318211281; Min. -314818.3865778647

Variable Format: numeric

Notes: UNF:6:pBFTCLVHGrQUuE7SjF7TRw==

alpha

f70266 Location:

Summary Statistics: Mean 0.2474872639385077; Max. 0.9990517734006981; Min. 0.003867468610138913; Valid 2964.0; StDev 0.31018993314590054

Variable Format: numeric

Notes: UNF:6:qr9OGGmruPKanOQbMs5mfQ==

pH

f70266 Location:

Summary Statistics: Max. 8.0; Valid 2964.0; StDev 1.708113295236043; Mean 5.5; Min. 3.0

Variable Format: numeric

Notes: UNF:6:9Er+VObcZdporMTFPv2rmw==

pH_sys

f70266 Location:

Summary Statistics: Valid 2964.0; Mean 3.2130693502501466; StDev 1.045774228519246; Max. 7.022675861230457; Min. 1.5891096740990762

Variable Format: numeric

Notes: UNF:6:s40AbEcOZhpAg/neVYcLWg==

pKa

f70266 Location:

Summary Statistics: Valid 2964.0; Max. 4.0; Min. 4.0; StDev 0.0; Mean 4.0

Variable Format: numeric

Notes: UNF:6:KxQHr1AYkTeMk1p/90OJ4Q==

RE_[m]

f70260 Location:

Summary Statistics: Max. 1.19031003E-8; Valid 2964.0; Min. 2.0061405E-9; Mean 6.954620400000039E-9; StDev 2.9337013358168733E-9

Variable Format: numeric

Notes: UNF:6:JLp+h6zljcLqFEdfXm+1AA==

Kcideal_in_mol_per_l

f70260 Location:

Summary Statistics: Min. 1.0E-4; StDev 0.0; Max. 1.0E-4; Valid 2964.0; Mean 1.0E-4

Variable Format: numeric

Notes: UNF:6:ydUbC8Sruby4W84tbiSaqQ==

cH_bulk

f70260 Location:

Summary Statistics: Mean 0.00854700854700769; StDev 0.026536522037717964; Min. 1.0E-13; Valid 2964.0; Max. 0.1

Variable Format: numeric

Notes: UNF:6:N5gkHl1zaQSPocxbcHT5SQ==

cs_bulk

f70260 Location:

Summary Statistics: Valid 2964.0; Min. 1.0E-6; Max. 0.2; StDev 0.06945378739695726; Mean 0.0633335;

Variable Format: numeric

Notes: UNF:6:t6T0HYWnePYnU33oV/9+Og==

pressure_[J/m^3]

f70260 Location:

Summary Statistics: Max. 2.0852700655674182E7; StDev 3224128.0691173295; Mean 1029392.3981734824; Min. -315942.06776694464; Valid 2964.0

Variable Format: numeric

Notes: UNF:6:doWMMb0FPzp9g46BzQhugw==

alpha

f70260 Location:

Summary Statistics: Max. 0.9999999980760343; Min. 9.673849926397104E-4; StDev 0.43571160911255474; Mean 0.6209724472533206; Valid 2964.0

Variable Format: numeric

Notes: UNF:6:Kl1kEqv91l3X8WIhwsSpdw==

pH

f70260 Location:

Summary Statistics: Valid 2964.0; Mean 7.0; Max. 13.0; StDev 3.7422887303010492; Min. 1.0;

Variable Format: numeric

Notes: UNF:6:zTofm+3SKPNkd+0VmeGX+g==

pH_sys

f70260 Location:

Summary Statistics: Valid 2964.0; Max. 12.959336225369302; Min. 0.9860196790611732; StDev 3.5956277864769155; Mean 6.113464553056089

Variable Format: numeric

Notes: UNF:6:63A32Rqs37Kl3uqmv5j96A==

pKa

f70260 Location:

Summary Statistics: StDev 0.0; Valid 2964.0; Mean 4.0; Max. 4.0; Min. 4.0

Variable Format: numeric

Notes: UNF:6:KxQHr1AYkTeMk1p/90OJ4Q==

RE_[m]

f70258 Location:

Summary Statistics: Valid 2736.0; Max. 1.19031003E-8; Mean 6.9546203999999825E-9; StDev 2.933742591346469E-9; Min. 2.0061405E-9

Variable Format: numeric

Notes: UNF:6:ilUjxdRJRKstUpZLM04R9w==

Kcideal_in_mol_per_l

f70258 Location:

Summary Statistics: StDev 0.0; Min. 1.0E-4; Max. 1.0E-4; Valid 2736.0; Mean 1.0E-4

Variable Format: numeric

Notes: UNF:6:kLkZ7hSo0u1uFvgj0IPtYw==

cH_bulk

f70258 Location:

Summary Statistics: Mean 1.8518499999999985E-4; Min. 1.0E-8; Max. 0.001; StDev 3.6620445022691377E-4; Valid 2736.0

Variable Format: numeric

Notes: UNF:6:jZcXHhlqhvrFqTJR8Tf7Sg==

cs_bulk

f70258 Location:

Summary Statistics: Valid 2736.0; Min. 1.0E-6; StDev 0.001406196329985364; Mean 7.406666666666667E-4; Max. 0.005

Variable Format: numeric

Notes: UNF:6:sy00f5IAQCP95uWJiyWlEw==

pressure_[J/m^3]

f70258 Location:

Summary Statistics: Mean 358719.30103364686; StDev 1462533.410787649; Min. -315095.85444045434; Valid 2736.0; Max. 1.9062152150667224E7

Variable Format: numeric

Notes: UNF:6:OIkwYuAHW4QMjwwEtME/jg==

alpha

f70258 Location:

Summary Statistics: Valid 2736.0; Mean 0.22812479488911394; Max. 0.9951113263053469; StDev 0.28622748738674975; Min. 0.0038674685791250996;

Variable Format: numeric

Notes: UNF:6:LhmD84TILbdHwlXPj7GwmQ==

pH

f70258 Location:

Summary Statistics: Mean 5.5; StDev 1.708137315785685; Valid 2736.0; Max. 8.0; Min. 3.0;

Variable Format: numeric

Notes: UNF:6:XH6bD4hsmDtn+h5Oxh1bmg==

pH_sys

f70258 Location:

Summary Statistics: StDev 1.0808686467746111; Min. 1.5891096706028818; Mean 3.2896386560298225; Valid 2736.0; Max. 7.020306451530765;

Variable Format: numeric

Notes: UNF:6:WNK3gfXla9G3GeNSHjmvcA==

pKa

f70258 Location:

Summary Statistics: Min. 4.0; StDev 0.0; Max. 4.0; Mean 4.0; Valid 2736.0;

Variable Format: numeric

Notes: UNF:6:puxeNSv75qyaFBVlwe/OVQ==

#final_box_l

f70289 Location:

Summary Statistics: Min. 18.4752086141; Mean 46.18802153517; Valid 240.0; Max. 73.9008344563; StDev 16.439411928775097

Variable Format: numeric

Notes: UNF:6:8dO3ez7LnPLh0M0qpOFORg==

MPC

f70289 Location:

Summary Statistics: Mean 40.0; Max. 40.0; Valid 240.0; StDev 0.0; Min. 40.0

Variable Format: numeric

Notes: UNF:6:7r8F2N7OL93WRgJLmMghaw==

Kcideal_in_mol_per_l

f70289 Location:

Summary Statistics: Min. 1.0E-4; Max. 1.0E-4; Mean 1.0E-4; StDev 0.0; Valid 240.0

Variable Format: numeric

Notes: UNF:6:L2ZyFGiagX47/gCp1HZOLg==

cs_bulk

f70289 Location:

Summary Statistics: Min. 2.69541778976E-8; Valid 240.0; Max. 0.00269541778976; Mean 4.991509433967054E-4; StDev 9.889560628023907E-4;

Variable Format: numeric

Notes: UNF:6:u0t8pYxfVPVeoxUFRX6DPw==

bjerrum

f70289 Location:

Summary Statistics: StDev 0.0; Max. 2.0; Min. 2.0; Mean 2.0; Valid 240.0

Variable Format: numeric

Notes: UNF:6:uikFG561gIqq4KplOMAe6w==

cH_bulk

f70289 Location:

Summary Statistics: Valid 240.0; StDev 2.76186818619678E-9; Mean 2.894124118898333E-8; Max. 3.4659731401E-8; Min. 2.69565998276E-8;

Variable Format: numeric

Notes: UNF:6:4MLVs4m+Ov9PHwm3qjglgg==

cOH_bulk

f70289 Location:

Summary Statistics: Valid 240.0; Min. 2.69565606092E-10; Mean 2.894125302646666E-10; StDev 2.7618496753102687E-11; Max. 3.46596625598E-10

Variable Format: numeric

Notes: UNF:6:/Ff3a9+QGs5YgPiyX8E3hg==

cNa_bulk

f70289 Location:

Summary Statistics: Max. 0.00269541778976; Mean 4.991509433967054E-4; Valid 240.0; Min. 2.69541778976E-8; StDev 9.889560628023907E-4;

Variable Format: numeric

Notes: UNF:6:u0t8pYxfVPVeoxUFRX6DPw==

cCl_bulk

f70289 Location:

Summary Statistics: Min. 5.36412121192E-8; Mean 4.991795952245518E-4; Valid 240.0; StDev 9.88958684503303E-4; Max. 0.00269545210289;

Variable Format: numeric

Notes: UNF:6:Vfj3tNs5RjZ3euASw30Vdg==

ionic_strength_bulk

f70289 Location:

Summary Statistics: Mean 4.991798846376953E-4; Valid 240.0; StDev 9.889587109860635E-4; Max. 0.00269545244949; Min. 5.39107777252E-8

Variable Format: numeric

Notes: UNF:6:gJFVLa1ncNXyAXLi8hLm6Q==

Nsteps

f70289 Location:

Summary Statistics: Mean 24904.2125; Valid 240.0; Max. 37978.0; Min. 4348.0; StDev 6067.39584738632

Variable Format: numeric

Notes: UNF:6:xBzBDtVd0lvVG4ZO/DMnHA==

num_Hs

f70289 Location:

Summary Statistics: Mean 2.1383106541977352; Min. 0.00463455078872; Max. 15.3547316868; Valid 240.0; StDev 3.535067629267217

Variable Format: numeric

Notes: UNF:6:erKrRfHPw9FnW35oQ7KoAw==

num_OHs

f70289 Location:

Summary Statistics: Mean 1.031480861246461E-5; Valid 240.0; StDev 3.2072307526950506E-5; Max. 2.186270223E-4; Min. 0.0

Variable Format: numeric

Notes: UNF:6:YYngItq/ahZ2QvI7C6Z2fQ==

num_Nas

f70289 Location:

Summary Statistics: Mean 219.95404821257674; Valid 240.0; Max. 1467.77816258; Min. 2.24242039833; StDev 284.981646173796;

Variable Format: numeric

Notes: UNF:6:BZyXhgxWYKV2KGJvJE4AbQ==

num_Cls

f70289 Location:

Summary Statistics: StDev 165.30578618361582; Mean 52.160968032388375; Min. 0.0; Valid 240.0; Max. 993.346127946;

Variable Format: numeric

Notes: UNF:6:BYidzF8/E3nt3Du8+O9aqA==

num_As

f70289 Location:

Summary Statistics: Max. 474.45031265; Min. 4.49367837964; Valid 240.0; Mean 169.9313805195613; StDev 153.40405623601174

Variable Format: numeric

Notes: UNF:6:NSOeIDfxLDoWXGz9liqmow==

total_isotropic_pressures

f70289 Location:

Summary Statistics: StDev 0.00623858654081116; Max. 0.0552625407355; Valid 240.0; Min. -0.00195719609411; Mean 0.0020355663319242987

Variable Format: numeric

Notes: UNF:6:GPkI2dUho0AahJpbVbHQUw==

end_to_end_distances

f70289 Location:

Summary Statistics: Valid 240.0; Mean 20.676773464824915; Min. 9.20477046344; StDev 6.621635165830334; Max. 32.071789472

Variable Format: numeric

Notes: UNF:6:No6QsA+0fxdep8wkcO2tpw==

bond_lengths

f70289 Location:

Summary Statistics: Mean 0.9725145538413709; Valid 240.0; StDev 0.0011650840745995742; Min. 0.971207398275; Max. 0.976526074996

Variable Format: numeric

Notes: UNF:6:3YaJyw8Qn9gVfjKGp2efwA==

degree_of_dissociation

f70289 Location:

Summary Statistics: Mean 0.2622397847523882; StDev 0.2367346546851816; Valid 240.0; Max. 0.732176408411; Min. 0.00693468885746

Variable Format: numeric

Notes: UNF:6:Fe4BCc1Wp9gV7PBNJ0m58w==

excess_chemical_potential_pair

f70289 Location:

Summary Statistics: StDev 0.35602655285342283; Max. 0.234689107069; Valid 240.0; Mean -0.5514310406453583; Min. -1.33855834876;

Variable Format: numeric

Notes: UNF:6:x/FTCS3NiAEV2imcKeDg3A==

err_num_Hs

f70289 Location:

Summary Statistics: StDev 0.009478006065006086; Mean 0.010186010100435761; Min. 7.62903237533E-4; Max. 0.0395914750697; Valid 240.0

Variable Format: numeric

Notes: UNF:6:Sx4LGSGp30lcJ3i25BfyxQ==

err_num_OHs

f70289 Location:

Summary Statistics: Max. 0.008757274777; Valid 240.0; Mean 2.408167849620836E-4; StDev 0.0011874199988766707; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:PBg8T9QknIdRR2bkLWF6Ug==

err_num_Nas

f70289 Location:

Summary Statistics: Valid 240.0; Min. 0.0145999328363; Mean 0.15087908731389502; StDev 0.22352259212779713; Max. 1.76009148881;

Variable Format: numeric

Notes: UNF:6:bkxhpPzSpUFTSzHLDCWL+w==

err_num_Cls

f70289 Location:

Summary Statistics: Max. 1.59208122244; Min. 0.0; StDev 0.21241440874314318; Mean 0.07052960343836046; Valid 240.0;

Variable Format: numeric

Notes: UNF:6:VbH0VspWKTLp+03+prDlog==

err_num_As

f70289 Location:

Summary Statistics: Max. 0.390410295105; Mean 0.10059770586547248; StDev 0.06852091863734745; Min. 0.0172504971191; Valid 240.0

Variable Format: numeric

Notes: UNF:6:AdvDT6j1XIWUXVOhWzxlCA==

err_total_isotropic_pressures

f70289 Location:

Summary Statistics: Valid 240.0; Min. 5.52247658248E-6; StDev 1.0891848962975343E-4; Max. 5.92664065566E-4; Mean 7.846494212746991E-5;

Variable Format: numeric

Notes: UNF:6:0FIn2pCwUTlKoSTuj5CIBg==

err_end_to_end_distances

f70289 Location:

Summary Statistics: Min. 3.61292788101E-4; Max. 0.06362626637; Mean 0.010648752883088966; Valid 240.0; StDev 0.011129900659249719

Variable Format: numeric

Notes: UNF:6:F1cNapcIK1FezlFDRpkxeQ==

err_bond_lengths

f70289 Location:

Summary Statistics: Mean 1.5274213659255002E-5; StDev 3.212301039348467E-6; Max. 3.49126290161E-5; Valid 240.0; Min. 1.18468310623E-5

Variable Format: numeric

Notes: UNF:6:Luhikdd3S21f5YQuSg2zLA==

err_degree_of_dissociation

f70289 Location:

Summary Statistics: Max. 6.0248502331E-4; Valid 240.0; Min. 2.66211375295E-5; Mean 1.5524337324917915E-4; StDev 1.0574215839097452E-4;

Variable Format: numeric

Notes: UNF:6:uFGs3jfkrr0mmFOPnQkHVw==

err_excess_chemical_potential_pair

f70289 Location:

Summary Statistics: Valid 240.0; Min. 0.00305219391481; Mean 0.020668475702173877; Max. 0.136563276769; StDev 0.01902087528473591;

Variable Format: numeric

Notes: UNF:6:JickE6zK0umwQpbhL17X4Q==

pH

f70289 Location:

Summary Statistics: Max. 6.0; Valid 240.0; Mean 6.0; Min. 6.0; StDev 0.0

Variable Format: numeric

Notes: UNF:6:9VaOmooOPlQNvIUTM05/ig==

#end_to_end_distance_loaded

f70281 Location:

Summary Statistics: StDev 6.125428629509319; Valid 1643.0; Max. 27.048; Mean 15.665477784540474; Min. 4.692;

Variable Format: numeric

Notes: UNF:6:18MdBYprJ4oey1uYy2FkxQ==

N0

f70281 Location:

Summary Statistics: Min. 40.0; StDev 0.0; Max. 40.0; Mean 40.0; Valid 1643.0;

Variable Format: numeric

Notes: UNF:6:jjWyqiZXAq9h5KVAsKhdew==

Kcideal_in_mol_per_l

f70281 Location:

Summary Statistics: Mean 1.0E-4; Valid 1643.0; Max. 1.0E-4; Min. 1.0E-4; StDev 0.0

Variable Format: numeric

Notes: UNF:6:ySvRb1KC9iLbD1DGfX/yYQ==

cs_bulk

f70281 Location:

Summary Statistics: Max. 0.00539083557; Min. 2.6954177E-4; Valid 1643.0; StDev 0.0018697291458303648; Mean 0.002045925448636642

Variable Format: numeric

Notes: UNF:6:hiY50+J7HM68Ok6ULb2zzg==

bjerrum_load

f70281 Location:

Summary Statistics: Min. 1.0; Valid 1643.0; StDev 0.39715752477671573; Mean 1.9993913572732804; Max. 3.0

Variable Format: numeric

Notes: UNF:6:GxfbO3Vp6czfcbmCGZfKZQ==

pH

f70281 Location:

Summary Statistics: Min. 1.0; StDev 3.7600016707031862; Valid 1643.0; Max. 13.0; Mean 6.944613511868548;

Variable Format: numeric

Notes: UNF:6:W5ZoXV6xbwrk0X0KnuAHnA==

cH_bulk

f70281 Location:

Summary Statistics: StDev 9.781660396359017E-4; Min. 3.547347210386449E-15; Max. 0.003782938036053752; Valid 1643.0; Mean 3.1818439467226454E-4

Variable Format: numeric

Notes: UNF:6:PnS2zYpScGfsECgskVCS7w==

cOH_bulk

f70281 Location:

Summary Statistics: Valid 1643.0; StDev 9.621919677485049E-4; Mean 3.05446642562582E-4; Min. 3.5473565473649884E-15; Max. 0.003782944543466608

Variable Format: numeric

Notes: UNF:6:I61fXeGVa0R8MXgpN+HtpQ==

cNa_bulk

f70281 Location:

Summary Statistics: Min. 2.6954177E-4; Max. 0.009173780113462825; StDev 0.0021104433700128377; Valid 1643.0; Mean 0.0023513717842536556;

Variable Format: numeric

Notes: UNF:6:EHGPDjNgTnrZpUW/SotTIA==

cCl_bulk

f70281 Location:

Summary Statistics: Mean 0.0023641095363633566; StDev 0.0021058129357748854; Min. 2.6954177E-4; Valid 1643.0; Max. 0.00917377360604997

Variable Format: numeric

Notes: UNF:6:5W2FTI6BG9VuTHP79UhnoQ==

ionic_strength_bulk

f70281 Location:

Summary Statistics: StDev 0.00227992044885121; Valid 1643.0; Max. 0.009173780113466607; Min. 2.695447630580087E-4; Mean 0.0026695561789259257;

Variable Format: numeric

Notes: UNF:6:4Kx9+M7kBd4+vooO3QXfag==

average_end_to_end_distance

f70281 Location:

Summary Statistics: StDev 6.124328077998991; Max. 27.042739799955374; Mean 15.66003420242142; Valid 1643.0; Min. 4.688449401765485

Variable Format: numeric

Notes: UNF:6:agXPKLL0uvgc8q8RJZOeOw==

pressure_top_total

f70281 Location:

Summary Statistics: StDev 0.012385468194228902; Mean 0.009445404456539823; Max. 0.09708131593973718; Valid 1643.0; Min. -9.775438721785492E-4

Variable Format: numeric

Notes: UNF:6:UwdhR7+f3o3T+IivgWtLDg==

pressure_cylinder_wall_from_normal_forces

f70281 Location:

Summary Statistics: Mean 0.009445404456539823; Max. 0.09708131593973718; Min. -9.775438721785492E-4; StDev 0.012385468194228902; Valid 1643.0

Variable Format: numeric

Notes: UNF:6:UwdhR7+f3o3T+IivgWtLDg==

pressure_top_coulomb

f70281 Location:

Summary Statistics: StDev 0.0019678237166117565; Min. -0.010994966554768556; Max. 0.0017320412818905148; Valid 1643.0; Mean -9.952002164694987E-4

Variable Format: numeric

Notes: UNF:6:GBKi2L/YMAgAkgIigKSUqg==

pressure_top_kinetic

f70281 Location:

Summary Statistics: Min. 0.002966772682195081; Max. 0.2855292138912281; Mean 0.0416100084052295; Valid 1643.0; StDev 0.045614191886920494

Variable Format: numeric

Notes: UNF:6:B+R5JHGfrFdmaliI0hIWzg==

pressure_top_bonded

f70281 Location:

Summary Statistics: StDev 0.6905769162034304; Valid 1643.0; Mean -0.4739883027064535; Max. -0.038959877350295206; Min. -4.70458500349495

Variable Format: numeric

Notes: UNF:6:tghUKvbkmQ7tWDfSbhf+Qg==

pressure_top_nonbonded

f70281 Location:

Summary Statistics: Valid 1643.0; Max. 4.5074529299239705; StDev 0.6565502076165736; Min. 0.03428371865311379; Mean 0.4428188989742333;

Variable Format: numeric

Notes: UNF:6:XbNCT+XNNjmRo6UIk2bxlA==

pressure_top_nonbonded_in_chain

f70281 Location:

Summary Statistics: StDev 0.22658727622388466; Mean 0.13123084988935324; Max. 1.1433272618463712; Valid 1643.0; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:qly8qqwp5eXtYspw9hUM1Q==

pressure_top_kinetic_polymer

f70281 Location:

Summary Statistics: Mean 0.07451946739456394; Max. 1.217646966543932; Min. 0.003623435870836675; Valid 1643.0; StDev 0.15097988302941256

Variable Format: numeric

Notes: UNF:6:6ls4rlOExryKlW5YH6Q/sw==

average_bond_length

f70281 Location:

Summary Statistics: StDev 0.008761184481319774; Min. 0.9708095209506653; Mean 0.9742275777966063; Valid 1643.0; Max. 1.1786578457493055

Variable Format: numeric

Notes: UNF:6:Q7l3c+SNlRhfCkPdhpqopA==

std_error_end_to_end_distance

f70281 Location:

Summary Statistics: StDev 1.389328993285753E-4; Valid 1643.0; Max. 0.0016594687677113167; Min. 7.486543969660207E-5; Mean 2.92025720778296E-4

Variable Format: numeric

Notes: UNF:6:yB2K6A/vaMjcBgXppl8MMQ==

std_error_pressure_top_total

f70281 Location:

Summary Statistics: Max. 0.0024689332421192643; StDev 3.3530140168779775E-4; Mean 2.950581146506415E-4; Min. 2.7057381528206155E-5; Valid 1643.0;

Variable Format: numeric

Notes: UNF:6:yp+8AS7Fb+WYYCqR51Otcg==

std_error_pressure_cylinder_wall_from_normal_forces

f70281 Location:

Summary Statistics: Min. 2.7057381528206155E-5; Valid 1643.0; Max. 0.0024689332421192643; Mean 2.950581146506415E-4; StDev 3.3530140168779775E-4

Variable Format: numeric

Notes: UNF:6:yp+8AS7Fb+WYYCqR51Otcg==

std_error_pressure_top_coulomb

f70281 Location:

Summary Statistics: Mean 1.180665566710613E-5; Max. 1.1553826423795646E-4; StDev 1.5165317137552E-5; Min. 2.6441264596812465E-7; Valid 1643.0;

Variable Format: numeric

Notes: UNF:6:j52zMKflaa+qt09o2muPWw==

std_error_pressure_top_kinetic

f70281 Location:

Summary Statistics: StDev 3.2220412390458336E-5; Mean 3.3305496435816175E-5; Max. 2.083493585010697E-4; Min. 3.3150359840002047E-6; Valid 1643.0;

Variable Format: numeric

Notes: UNF:6:xo1F73MJ+Vj9H0Zi4RHkVA==

std_error_pressure_top_bonded

f70281 Location:

Summary Statistics: Max. 4.933275676412904E-4; Min. 5.8274595394627896E-6; Mean 6.003655907618018E-5; StDev 6.78915486726087E-5; Valid 1643.0

Variable Format: numeric

Notes: UNF:6:zEJ6irXec32SCZKi397Nnw==

std_error_pressure_top_nonbonded

f70281 Location:

Summary Statistics: Valid 1643.0; StDev 2.7312521062773063E-4; Mean 2.3919991201202073E-4; Max. 0.0020149239440520185; Min. 2.1693653868795423E-5

Variable Format: numeric

Notes: UNF:6:z7J8sSPKDaRifTD9KzPNsA==

std_error_pressure_top_nonbonded_in_chain

f70281 Location:

Summary Statistics: Min. 0.0; Mean 1.5658214642732635E-4; StDev 2.447542920803293E-4; Max. 0.0016008421466600314; Valid 1643.0

Variable Format: numeric

Notes: UNF:6:wUby0S2N3kKT7nWK0VqVvA==

std_error_pressure_top_kinetic_polymer

f70281 Location:

Summary Statistics: Mean 9.531216563290421E-5; StDev 1.3720060773280785E-4; Max. 0.0012876155863586324; Valid 1643.0; Min. 5.9514546020300485E-6;

Variable Format: numeric

Notes: UNF:6:3xVL9EyjdEFO0ElXO6RlPg==

std_error_average_bond_length

f70281 Location:

Summary Statistics: StDev 2.258072169635318E-5; Min. 1.2065128399732873E-5; Mean 4.7276473123166864E-5; Max. 2.540035255095637E-4; Valid 1643.0

Variable Format: numeric

Notes: UNF:6:9Gn4umupI/bQ0ITvlG9r/A==

N_steps

f70281 Location:

Summary Statistics: Mean 96570.60012172842; Valid 1643.0; Max. 615169.0; Min. 1376.0; StDev 117635.22778381672

Variable Format: numeric

Notes: UNF:6:ttu8T/9Qj+i9fT6BQS9SDw==

concentration_in_box_H

f70281 Location:

Summary Statistics: Valid 1643.0; Max. 0.003666114396271763; Min. 0.0; StDev 8.090434448841214E-4; Mean 2.5804349246160926E-4

Variable Format: numeric

Notes: UNF:6:6tlXb0jrw4COqywCQDwjmA==

concentration_in_box_OH

f70281 Location:

Summary Statistics: StDev 6.659948219087606E-4; Valid 1643.0; Mean 1.864854334095756E-4; Max. 0.003571116620004269; Min. 0.0

Variable Format: numeric

Notes: UNF:6:ApOoZj1mDi5umrQu1g8Hrw==

concentration_in_box_Na

f70281 Location:

Summary Statistics: StDev 0.01566960205907661; Mean 0.011840496587879177; Min. 5.4435099670190046E-5; Max. 0.08007102462751714; Valid 1643.0

Variable Format: numeric

Notes: UNF:6:QMSONi17GWxYfiydhLeg+g==

concentration_in_box_Cl

f70281 Location:

Summary Statistics: StDev 0.0017811251463293219; Max. 0.008869014516120774; Valid 1643.0; Min. 1.2012160066119092E-6; Mean 0.0014656353598285988;

Variable Format: numeric

Notes: UNF:6:DFFcyMROM0L3JK8uEHIsBw==

degree_of_dissociation

f70281 Location:

Summary Statistics: StDev 0.42130438424878813; Valid 1643.0; Max. 1.0; Mean 0.6111343698860856; Min. 3.682813981459456E-4;

Variable Format: numeric

Notes: UNF:6:D2Fq2YelkFXnhZgtbrge0A==

cs_box_in_mol_per_l

f70281 Location:

Summary Statistics: Mean 0.1298161236295532; Min. 4.456511384530183E-5; StDev 0.24798631898336265; Valid 1643.0; Max. 2.7559170754324906

Variable Format: numeric

Notes: UNF:6:1BTbX9G6AecA7pOsNC9M2Q==

cs_bulk_in_mol_p_l

f70281 Location:

Summary Statistics: Max. 0.19999999964700002; StDev 0.0693669513103064; Min. 0.009999999667000001; Valid 1643.0; Mean 0.07590383414442016;

Variable Format: numeric

Notes: UNF:6:FhRLttSedjpgxJ2AVUNfRQ==

std_error_c_H_box

f70281 Location:

Summary Statistics: Min. 0.0; StDev 1.598498757408952E-6; Mean 7.662284885713985E-7; Max. 1.2267745958314112E-5; Valid 1643.0;

Variable Format: numeric

Notes: UNF:6:3sGiELUQXKolMnwR+wSAZg==

std_error_c_OH_box

f70281 Location:

Summary Statistics: Max. 1.916837089534983E-5; StDev 2.7070524559185504E-6; Valid 1643.0; Min. 0.0; Mean 9.537421769985125E-7;

Variable Format: numeric

Notes: UNF:6:+iOscmEkvWsmNycKchHDXQ==

std_error_c_Na_box

f70281 Location:

Summary Statistics: Mean 7.210044038758418E-6; Max. 5.953760562614526E-5; StDev 7.474212053808576E-6; Valid 1643.0; Min. 5.355046900856322E-7

Variable Format: numeric

Notes: UNF:6:xDD4lNXO6jvSKM2nN4k6xA==

std_error_c_Cl_box

f70281 Location:

Summary Statistics: StDev 3.1221948719924483E-6; Valid 1643.0; Mean 4.1801546830447406E-6; Max. 1.9599577802582926E-5; Min. 4.891403127622745E-7

Variable Format: numeric

Notes: UNF:6:53dK5i6vbtzIvKDkI7oKUg==

std_error_degree_of_dissociation

f70281 Location:

Summary Statistics: StDev 2.5743526756775585E-4; Max. 0.0019007233601244012; Mean 2.0953211308080653E-4; Valid 1643.0; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:5jWMeE8t29jZ9reVowfW2A==

#end_to_end_distance_loaded

f70297 Location:

Summary Statistics: Max. 27.048; StDev 6.287440223866571; Mean 16.56656618819777; Valid 627.0; Min. 4.83

Variable Format: numeric

Notes: UNF:6:G43+mldZK6XH4gtd29vBvQ==

N0

f70297 Location:

Summary Statistics: Valid 627.0; Max. 40.0; Mean 40.0; StDev 0.0; Min. 40.0;

Variable Format: numeric

Notes: UNF:6:UuIsuDjLsHLTZcdjaYG1NQ==

Kcideal_in_mol_per_l

f70297 Location:

Summary Statistics: Max. 1.0E-4; StDev 0.0; Mean 1.0E-4; Valid 627.0; Min. 1.0E-4;

Variable Format: numeric

Notes: UNF:6:yKWHHbrC0BCF/LQwfZMnHg==

cs_bulk

f70297 Location:

Summary Statistics: Max. 0.0026954177897574125; Valid 627.0; Min. 2.695417789757412E-8; StDev 9.793359469681935E-4; Mean 4.85612272533824E-4

Variable Format: numeric

Notes: UNF:6:SliCfK4pG2E+eBNnC0vVzQ==

bjerrum_load

f70297 Location:

Summary Statistics: Valid 627.0; StDev 0.0; Mean 2.0; Max. 2.0; Min. 2.0;

Variable Format: numeric

Notes: UNF:6:nXgEj1XHyQpaZP3V9s6/pg==

pH

f70297 Location:

Summary Statistics: Mean 6.247208931419457; Max. 8.0; Min. 4.0; StDev 1.4754013996684918; Valid 627.0

Variable Format: numeric

Notes: UNF:6:ya3WLXOwZkfIpYAUQ8HlpA==

cH_bulk

f70297 Location:

Summary Statistics: Max. 3.475787300833166E-6; StDev 1.2567976037814282E-6; Valid 627.0; Mean 7.293749394256849E-7; Min. 2.695659982764724E-10

Variable Format: numeric

Notes: UNF:6:SgOoW7//Bk+sFv2qYqChIQ==

cOH_bulk

f70297 Location:

Summary Statistics: StDev 1.2175090936214287E-8; Mean 7.95405209867968E-9; Min. 2.7194679074861525E-12; Valid 627.0; Max. 3.475567834463406E-8

Variable Format: numeric

Notes: UNF:6:a3cbqPaiP+t33Rg6RZ89Pg==

cNa_bulk

f70297 Location:

Summary Statistics: Max. 0.002695452197879095; StDev 9.793367220972634E-4; Min. 2.695417789757412E-8; Mean 4.856193579055526E-4; Valid 627.0;

Variable Format: numeric

Notes: UNF:6:g2ofnzHbSgcVv4PBJvLaGQ==

cCl_bulk

f70297 Location:

Summary Statistics: Valid 627.0; StDev 9.7939642687323E-4; Min. 2.695417789757412E-8; Mean 4.8634077879287734E-4; Max. 0.0026988935735824623

Variable Format: numeric

Notes: UNF:6:/XwC2yX0iISN6tdt4GT2Lg==

ionic_strength_bulk

f70297 Location:

Summary Statistics: StDev 9.793972701198784E-4; Valid 627.0; Mean 4.863487328449753E-4; Max. 0.0026988935770582453; Min. 2.9649749290845578E-8

Variable Format: numeric

Notes: UNF:6:OAdARhMl3Ot/k+3SvwTcWw==

average_end_to_end_distance

f70297 Location:

Summary Statistics: Max. 27.042712743162763; Min. 4.826725900561481; Mean 16.56225332510102; StDev 6.286719246907006; Valid 627.0

Variable Format: numeric

Notes: UNF:6:02TvRS7N9EEOKcSyxGbtSg==

pressure_top_total

f70297 Location:

Summary Statistics: Mean 0.004673732443693234; Min. -0.0015493901788507945; Max. 0.1218590714345033; StDev 0.011509487323796714; Valid 627.0

Variable Format: numeric

Notes: UNF:6:DYO3VBvoQDqg9Wlw4V0njA==

pressure_cylinder_wall_from_normal_forces

f70297 Location:

Summary Statistics: Mean 0.004673732443693234; Valid 627.0; Max. 0.1218590714345033; Min. -0.0015493901788507945; StDev 0.011509487323796714;

Variable Format: numeric

Notes: UNF:6:DYO3VBvoQDqg9Wlw4V0njA==

pressure_top_coulomb

f70297 Location:

Summary Statistics: Valid 627.0; Max. 0.0011462441717139007; Min. -0.019462453939572927; StDev 0.0021036173453255337; Mean -6.589161491800624E-4

Variable Format: numeric

Notes: UNF:6:/sUe5LFrU+ZQkznGUU8HrQ==

pressure_top_kinetic

f70297 Location:

Summary Statistics: Max. 0.28006421591489833; Valid 627.0; Mean 0.03170096738162776; Min. 0.0023511747940326267; StDev 0.04352595017933122

Variable Format: numeric

Notes: UNF:6:UBtD6yMLd5/fjYVEfkG6Ww==

pressure_top_bonded

f70297 Location:

Summary Statistics: Mean -0.42551369372822895; StDev 0.6531615566431971; Valid 627.0; Max. -0.03895523629832027; Min. -4.378047400810095;

Variable Format: numeric

Notes: UNF:6:OOyb+kQjL/n69/1jasUzZg==

pressure_top_nonbonded

f70297 Location:

Summary Statistics: Mean 0.3991453749394745; Valid 627.0; Min. 0.034340325261065945; StDev 0.6203341710819973; Max. 4.212813225359178;

Variable Format: numeric

Notes: UNF:6:2T1ki84Ewqzb3enG5c+8Dg==

pressure_top_nonbonded_in_chain

f70297 Location:

Summary Statistics: Mean 0.050621353674089986; Min. 0.0; StDev 0.13761968384711598; Max. 1.1093529781053346; Valid 627.0

Variable Format: numeric

Notes: UNF:6:bDJDt3h6e/v7wcQXosnkhA==

pressure_top_kinetic_polymer

f70297 Location:

Summary Statistics: Min. 0.0036348672201064864; Mean 0.06627764297160396; StDev 0.140935732162162; Max. 1.089735405332986; Valid 627.0;

Variable Format: numeric

Notes: UNF:6:JASX0JCPrYUm0y86bY1I0Q==

average_bond_length

f70297 Location:

Summary Statistics: Min. 0.9709741049679865; Mean 0.9747738597927517; Valid 627.0; Max. 1.1891419957975558; StDev 0.02261207886775785

Variable Format: numeric

Notes: UNF:6:ITayL22ucEeFTxPGliJQLA==

std_error_end_to_end_distance

f70297 Location:

Summary Statistics: Min. 6.886406246587481E-5; Max. 5.713548132017326E-4; Valid 627.0; Mean 1.0873917546166574E-4; StDev 3.3674533648571916E-5

Variable Format: numeric

Notes: UNF:6:43d9KCAKEFn63S9wd/Mdcw==

std_error_pressure_top_total

f70297 Location:

Summary Statistics: Valid 627.0; Mean 1.3137558580668672E-4; Min. 9.863499613897544E-6; StDev 2.0505416085498616E-4; Max. 0.0014087013968114342;

Variable Format: numeric

Notes: UNF:6:yMtui08R9U914mvlgebyRQ==

std_error_pressure_cylinder_wall_from_normal_forces

f70297 Location:

Summary Statistics: Valid 627.0; Min. 9.863499613897544E-6; StDev 2.0505416085498616E-4; Mean 1.3137558580668672E-4; Max. 0.0014087013968114342

Variable Format: numeric

Notes: UNF:6:yMtui08R9U914mvlgebyRQ==

std_error_pressure_top_coulomb

f70297 Location:

Summary Statistics: Mean 2.331135720460164E-6; StDev 3.6434476079997383E-6; Max. 2.1567467780090083E-5; Valid 627.0; Min. 1.9491585781634202E-8

Variable Format: numeric

Notes: UNF:6:evBQtfwvfVekYaNucXssIQ==

std_error_pressure_top_kinetic

f70297 Location:

Summary Statistics: Valid 627.0; Min. 8.116117922839284E-7; StDev 1.6990897581999464E-5; Mean 1.2001453713277434E-5; Max. 1.1523562780828132E-4;

Variable Format: numeric

Notes: UNF:6:wmY7YpnWlTzmillYAAq7WQ==

std_error_pressure_top_bonded

f70297 Location:

Summary Statistics: Mean 2.648422339057468E-5; Min. 2.046287095991017E-6; Max. 2.804229104006027E-4; Valid 627.0; StDev 4.098166975377735E-5;

Variable Format: numeric

Notes: UNF:6:GM/KUf1tTefc/TCqX5f5Eg==

std_error_pressure_top_nonbonded

f70297 Location:

Summary Statistics: StDev 1.6724449125211607E-4; Valid 627.0; Min. 7.955871752454902E-6; Max. 0.0011502064965856111; Mean 1.0685255918908702E-4

Variable Format: numeric

Notes: UNF:6:wAbgKOxevnOc+Nc1bZZj5g==

std_error_pressure_top_nonbonded_in_chain

f70297 Location:

Summary Statistics: Min. 0.0; Valid 627.0; StDev 7.825283419606008E-5; Mean 3.9665542750418895E-5; Max. 6.235201457327452E-4

Variable Format: numeric

Notes: UNF:6:Vbl9/aBPXYAbMBwIydOzFA==

std_error_pressure_top_kinetic_polymer

f70297 Location:

Summary Statistics: Mean 4.623437509503689E-5; Valid 627.0; Min. 2.1462844080868453E-6; StDev 9.993403257700598E-5; Max. 7.919603637280321E-4;

Variable Format: numeric

Notes: UNF:6:268bPtJQd7AMejQUZyP7Tw==

std_error_average_bond_length

f70297 Location:

Summary Statistics: Mean 1.9085502272408128E-5; Max. 2.9522995224172556E-4; StDev 1.8219449920179177E-5; Min. 1.104461691239851E-5; Valid 627.0;

Variable Format: numeric

Notes: UNF:6:HZ+/wV3U/heQdXtbT5gK9w==

N_steps

f70297 Location:

Summary Statistics: Valid 627.0; Mean 318697.9489633174; Max. 757915.0; Min. 10747.0; StDev 73025.84239539108

Variable Format: numeric

Notes: UNF:6:Q+hLXR4LPzclkAs0gpnwYQ==

concentration_in_box_H

f70297 Location:

Summary Statistics: Max. 1.6164680624753539E-4; Min. 0.0; StDev 4.429999445259945E-5; Mean 2.9648693301759892E-5; Valid 627.0;

Variable Format: numeric

Notes: UNF:6:FCuQGc9+G+CeZsn5InFLWw==

concentration_in_box_OH

f70297 Location:

Summary Statistics: Mean 9.226577165463262E-10; Valid 627.0; Min. 0.0; StDev 4.008962791640257E-9; Max. 3.5059035994054955E-8

Variable Format: numeric

Notes: UNF:6:hznXuK1cXe9FnRYll0orZA==

concentration_in_box_Na

f70297 Location:

Summary Statistics: Valid 627.0; Min. 6.15143010140818E-7; Mean 0.0063614575580779285; Max. 0.07802042542009133; StDev 0.011743956355927263

Variable Format: numeric

Notes: UNF:6:if5gjv4qoZeAHFnd+cKAFw==

concentration_in_box_Cl

f70297 Location:

Summary Statistics: Mean 2.4313073306281123E-4; Valid 627.0; Min. 0.0; StDev 6.1251448216028E-4; Max. 0.0024712736576820707

Variable Format: numeric

Notes: UNF:6:PDxR4Qx9yvnkrhe/524wSw==

degree_of_dissociation

f70297 Location:

Summary Statistics: Min. 3.803512944144119E-4; Valid 627.0; StDev 0.32136757534583626; Max. 0.9924237929244233; Mean 0.32732644127516913;

Variable Format: numeric

Notes: UNF:6:OzH9Dh1bKJyWIxcNhZWKGw==

cs_box_in_mol_per_l

f70297 Location:

Summary Statistics: StDev 0.28577020028801065; Valid 627.0; Mean 0.10302803921432072; Max. 2.619684763838296; Min. 0.0;

Variable Format: numeric

Notes: UNF:6:18+MWkFElDBpk1TIpnx4pg==

cs_bulk_in_mol_p_l

f70297 Location:

Summary Statistics: Mean 0.018016215311004835; Min. 1.0E-6; Max. 0.1; Valid 627.0; StDev 0.03633336363252003

Variable Format: numeric

Notes: UNF:6:7MEupKVL0q4z2TEPUzRCZg==

std_error_c_H_box

f70297 Location:

Summary Statistics: Valid 627.0; Max. 2.6486381625467416E-6; StDev 4.87524741121888E-7; Min. 0.0; Mean 3.049190988442106E-7

Variable Format: numeric

Notes: UNF:6:oVYFW/4aLq1lzxeWNyUSIQ==

std_error_c_OH_box

f70297 Location:

Summary Statistics: Valid 627.0; Mean 1.5503102695224504E-9; Min. 0.0; StDev 1.916000395991862E-8; Max. 3.5868735585591735E-7;

Variable Format: numeric

Notes: UNF:6:9mjr7jiGGGpihHZVO8r5GA==

std_error_c_Na_box

f70297 Location:

Summary Statistics: Valid 627.0; Max. 3.225548635342196E-5; Min. 1.652303931685567E-8; Mean 2.7111231318148062E-6; StDev 3.826172648555782E-6

Variable Format: numeric

Notes: UNF:6:K6FX8K5XD++mfVa63AyyDg==

std_error_c_Cl_box

f70297 Location:

Summary Statistics: Min. 0.0; Max. 6.659040505214789E-6; Valid 627.0; StDev 7.889327394234078E-7; Mean 3.6367348459524633E-7

Variable Format: numeric

Notes: UNF:6:nWX8qOlE349nhhZKRAORgg==

std_error_degree_of_dissociation

f70297 Location:

Summary Statistics: StDev 6.139407976135632E-5; Mean 1.2387898949351434E-4; Min. 9.85835748104738E-6; Max. 3.747584113482378E-4; Valid 627.0;

Variable Format: numeric

Notes: UNF:6:9FP10vDeCFkLadVbJQoGpg==

#final_box_l

f70305 Location:

Summary Statistics: StDev 16.363298175908145; Max. 73.9008344563; Valid 2576.0; Mean 46.26084545827845; Min. 18.4752086141

Variable Format: numeric

Notes: UNF:6:3VZ+qoNZcl6ATYcOdCcYIQ==

MPC

f70305 Location:

Summary Statistics: Valid 2576.0; Min. 40.0; Max. 40.0; Mean 40.0; StDev 0.0

Variable Format: numeric

Notes: UNF:6:HwUCRxd5zJFcdo3jFT7UPA==

Kcideal_in_mol_per_l

f70305 Location:

Summary Statistics: StDev 0.0; Mean 1.0E-4; Min. 1.0E-4; Max. 1.0E-4; Valid 2576.0

Variable Format: numeric

Notes: UNF:6:TUGNfkwgkFxVLy0dr2fH6g==

cs_bulk

f70305 Location:

Summary Statistics: Mean 0.0020511752609083953; StDev 0.0018712053746585218; Max. 0.00539083557; Min. 2.6954177E-4; Valid 2576.0

Variable Format: numeric

Notes: UNF:6:6zvg+sqCWPWIEAvzQZKj4Q==

bjerrum

f70305 Location:

Summary Statistics: Max. 2.0; Min. 2.0; Valid 2576.0; Mean 2.0; StDev 0.0

Variable Format: numeric

Notes: UNF:6:ztoOWbkfxSiVBvj78nVm/Q==

cH_bulk

f70305 Location:

Summary Statistics: StDev 9.663184277409369E-4; Min. 3.54121290511E-15; Valid 2576.0; Max. 0.00379154277481; Mean 3.079738684727519E-4;

Variable Format: numeric

Notes: UNF:6:m1E7Ba23iRPg79BauF++jw==

cOH_bulk

f70305 Location:

Summary Statistics: Valid 2576.0; Min. 3.54120734533E-15; Max. 0.00379155072788; StDev 9.683200881501425E-4; Mean 3.099862345650934E-4;

Variable Format: numeric

Notes: UNF:6:uai1ADE3Abo4OBCjEiKMmw==

cNa_bulk

f70305 Location:

Summary Statistics: Min. 2.6954177E-4; Max. 0.00918238629788; StDev 0.002111744105100557; Valid 2576.0; Mean 0.0023611611839761946

Variable Format: numeric

Notes: UNF:6:Blstx2ez0AZZ7XgAmKcm3A==

cCl_bulk

f70305 Location:

Summary Statistics: Mean 0.0023591488178839677; Max. 0.00918237834481; StDev 0.00211233184648577; Min. 2.6954177E-4; Valid 2576.0

Variable Format: numeric

Notes: UNF:6:VPIslyMLRbUPVn/rofTIJw==

ionic_strength_bulk

f70305 Location:

Summary Statistics: Max. 0.00918238629788; Valid 2576.0; StDev 0.0022866985057718643; Mean 0.002669135052448737; Min. 2.69544763058E-4;

Variable Format: numeric

Notes: UNF:6:P+vkaGBkWRIAnZmrmyJEcw==

Nsteps

f70305 Location:

Summary Statistics: Valid 2576.0; StDev 3338.6205361596667; Mean 5807.453804347799; Min. 7.0; Max. 20902.0

Variable Format: numeric

Notes: UNF:6:z2DJviHpiq7ImKLBVw6D9w==

num_Hs

f70305 Location:

Summary Statistics: Mean 41.49222928259323; Valid 2576.0; Min. 0.0; Max. 1500.18819188; StDev 175.69277265957635

Variable Format: numeric

Notes: UNF:6:O1jt76B4vy/0lG+2YQcgrg==

num_OHs

f70305 Location:

Summary Statistics: Mean 35.846783368443155; StDev 163.06499300984427; Valid 2576.0; Min. 0.0; Max. 1474.47058824;

Variable Format: numeric

Notes: UNF:6:Fgsxnpwq5kZpqfKrMZrCTQ==

num_Nas

f70305 Location:

Summary Statistics: Valid 2576.0; Max. 4254.17647059; Mean 669.6127953455483; StDev 542.99539660239; Min. 1.2520961431;

Variable Format: numeric

Notes: UNF:6:I/6FAI1Eu6rXnjohFk50NQ==

num_Cls

f70305 Location:

Summary Statistics: StDev 456.2192226586275; Min. 0.00500888673453; Mean 279.76304626739847; Valid 2576.0; Max. 3657.61254613

Variable Format: numeric

Notes: UNF:6:2NghrPvvnTOIbjS+hDs6XQ==

num_As

f70305 Location:

Summary Statistics: Min. 0.571428571429; Max. 648.0; Mean 395.4951949923056; Valid 2576.0; StDev 266.99290471670486

Variable Format: numeric

Notes: UNF:6:fCIEjirkPs2zO70Yv0eFUQ==

total_isotropic_pressures

f70305 Location:

Summary Statistics: Valid 2576.0; StDev 0.011782270966752008; Max. 0.0884334075568; Min. -0.00143683757129; Mean 0.007949151159314645

Variable Format: numeric

Notes: UNF:6:69pdNgKL0Zs1K/1xN/V1kA==

end_to_end_distances

f70305 Location:

Summary Statistics: Max. 32.1114670721; Mean 20.96468741975049; Valid 2576.0; Min. 9.16350323938; StDev 6.494728067569726;

Variable Format: numeric

Notes: UNF:6:BYcSEq13pej7R7AnU0rslA==

bond_lengths

f70305 Location:

Summary Statistics: StDev 0.0019597427702517955; Max. 0.978250365105; Mean 0.9741726203353563; Min. 0.971170445278; Valid 2576.0;

Variable Format: numeric

Notes: UNF:6:NmT8KXkaBE1k5l6qAWHlxw==

degree_of_dissociation

f70305 Location:

Summary Statistics: Mean 0.6103320910375004; Valid 2576.0; StDev 0.41202608752577996; Max. 1.0; Min. 8.81834215168E-4;

Variable Format: numeric

Notes: UNF:6:aA1DpaHws7BHdxyevuecMQ==

excess_chemical_potential_pair

f70305 Location:

Summary Statistics: Valid 2576.0; Min. -3.36080195678; Max. 2.86862199167; StDev 0.42712040944870266; Mean -0.8905048111038381;

Variable Format: numeric

Notes: UNF:6:GP8a8ARctaU10Xj8VTyZMQ==

err_num_Hs

f70305 Location:

Summary Statistics: Min. 0.0; Mean 0.1418090064738808; Valid 2576.0; StDev 0.6656564997613877; Max. 9.04720493713

Variable Format: numeric

Notes: UNF:6:0e5s0o2R2pANQOBZ6jResA==

err_num_OHs

f70305 Location:

Summary Statistics: Min. 0.0; Valid 2576.0; Mean 0.16523619872523215; StDev 0.8332276139141906; Max. 19.7198383412;

Variable Format: numeric

Notes: UNF:6:5LrlY6yy1GhpdO/+aTNMvw==

err_num_Nas

f70305 Location:

Summary Statistics: Min. 0.00567023700041; StDev 3.5747952936564587; Max. 25.483121972; Valid 2576.0; Mean 2.1684400425245034;

Variable Format: numeric

Notes: UNF:6:vtW4T/5DyJqP8+jb3QtpvQ==

err_num_Cls

f70305 Location:

Summary Statistics: StDev 1.4749023523966718; Max. 16.1217099827; Valid 2576.0; Mean 0.7813311817073509; Min. 0.00152727117871;

Variable Format: numeric

Notes: UNF:6:9JmVaA9LLvlWJITlaTkeGg==

err_num_As

f70305 Location:

Summary Statistics: Min. 0.0; StDev 3.4824784673988547; Max. 25.5571664134; Valid 2576.0; Mean 1.487578294580411

Variable Format: numeric

Notes: UNF:6:kxZy7y4Ie3vWGUyoxa5Z0w==

err_total_isotropic_pressures

f70305 Location:

Summary Statistics: Mean 1.6495965451446048E-4; Valid 2576.0; Min. 9.41753569406E-6; StDev 2.2692257341152197E-4; Max. 0.00137265961909

Variable Format: numeric

Notes: UNF:6:ww1P4hj1aabKLJmIeHNJtg==

err_end_to_end_distances

f70305 Location:

Summary Statistics: Valid 2576.0; Mean 0.03669449267414436; Max. 0.205985504513; Min. 6.5729041384E-4; StDev 0.037240478064384894;

Variable Format: numeric

Notes: UNF:6:fW+mdz4fcrPzFis26xPtYA==

err_bond_lengths

f70305 Location:

Summary Statistics: Max. 9.50313381002E-4; StDev 2.816702058008058E-5; Min. 1.58827662501E-5; Mean 3.895564921480543E-5; Valid 2576.0

Variable Format: numeric

Notes: UNF:6:1Qescxk2K5xt0K7wz+6boA==

err_degree_of_dissociation

f70305 Location:

Summary Statistics: Mean 0.002295645516327687; Valid 2576.0; Min. 0.0; StDev 0.005374195165738693; Max. 0.0394400716256

Variable Format: numeric

Notes: UNF:6:Rk7c7YNGPTpgxVaP80Pc8w==

err_excess_chemical_potential_pair

f70305 Location:

Summary Statistics: Min. 0.00501066330091; StDev 0.07971438631995642; Max. 0.969704987529; Valid 2576.0; Mean 0.0681050866600193;

Variable Format: numeric

Notes: UNF:6:o+/KU4oRFy8LsTx8SM50Dg==

pH

f70305 Location:

Summary Statistics: Min. 1.0; Max. 13.0; Valid 2576.0; StDev 3.7386201127345977; Mean 7.013975155279521

Variable Format: numeric

Notes: UNF:6:nVzTBS5z+qLt/VBB8f2eHw==

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