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ScarFace - seacarb calculations with R Shiny user interface

'ScarFace' is a Shiny web application that has been developed to facilitate the usage of the R-package 'seacarb' (http://CRAN.R-project.org/package=seacarb). 'seacarb' is used to calculate the carbonate chemistry of seawater requiring a command-line usage. For non-friends of bare code, 'ScarFace' enables to use 'seacarb' via an user interface (ui) without the need for digging into R.

The web app implements the most frequently used functions bjerrum(), carb(), and errors(), which can be simply operated by numerical or slider inputs. In addition to single calculations, batch processing can be performed by uploading csv source tables, where there is no need for pre-defined column names or order. If required, propagated errors can be calculated based on source table or manually entered values.

Requirements for running 'ScarFace' and a manual can be found in 'MANUAL.md'.

If you use 'ScarFace' for your published research, please cite:

Raitzsch, M. and Gattuso, J.-P., 2020. ScarFace - seacarb calculations with R Shiny user interface. https://doi.org/10.5281/zenodo.3662139.
as well as
Gattuso J.-P., Epitalon J.-M., Lavigne H. and Orr J., 2019. seacarb: seawater carbonate chemistry. R package version 3.2.12. http://CRAN.R-project.org/package=seacarb.

Acknowledgement
Funded by the Deutsche Forschungsgemeinschaft (DFG – German Research Foundation) through a research project (no. RA 2068/4-1) granted to Markus Raitzsch.

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scarface's Issues

seacarb::carb() and shiny app results differ

Hi

With flag=15, ALK=2200 µmol kg-1 and DIC=2000 µmol kg-1 the shiny app yields

Sample flag S T Patm P pH CO2 fCO2 pCO2 fCO2pot pCO2pot fCO2insitu pCO2insitu HCO3 CO3 DIC ALK OmegaAragonite OmegaCalcite
NA 15.00 35 25 1.00 0 7.87 17.62 620.53 622.52 620.53 622.52 620.53 622.52 1836.73 145.66 2000.00 2200.00 2.31 3.51

When I do it directly in R the result is

library(seacarb)
seacarb::carb(flag=15, var1=2200/1e6, var2=2000/1e6, S=35, T=25) # flag=15 --> var1 = Talk in mol kg-1; var2 = DIC in mol kg-1
flag S T Patm P pH CO2 fCO2 pCO2 fCO2pot pCO2pot fCO2insitu pCO2insitu HCO3 CO3 DIC ALK OmegaAragonite OmegaCalcite
15 35 25 1 0 7.870532 1.739097e-05 612.5331 614.4945 612.5331 614.4945 612.5331 614.4945 0.001835282 0.0001473273 0.002 0.0022 2.338158 3.547316

I am aware that the shiny app returns different units than the carb() function, e.g. for ALK and DIC.

However, pCO2_app = 622.52 while pCO2_carb = 614.4945. Could you please explain these differences?

Thanks for any help and kind regards,
Chris

packageVersion("seacarb")
[1] ‘3.3.0

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