Hover over a description to show an image; click on the blue links to view the R code. (Links to literature references show original publication of figures.)

NaCl — equilibrium constant for NaCl dissociation (Shock et al., 1992)

density — density of H_{2}O, inverted from IAPWS-95 equations ^{*}

ORP — temperature dependence of oxidation-reduction potential for redox standards

revisit — coefficient of variation of metastable equilibrium activities of proteins

findit — minimize the standard deviation of log*a* of sulfur species (1D, 2D, 3D)

ionize — contour plots of net charge and ionization properties of LYSC_CHICK

buffer — hydrogen fugacity for mineral buffers and aqueous species (Schulte and Shock, 1995)

protbuff — chemical activities buffered by thiol peroxidases or sigma factors

yeastgfp — subcellular locations: log*f*_{O2}–log *a*_{H2O} and log *a*–log *f*_{O2} diagrams (Dick, 2009)

mosaic — Eh-pH diagram for iron oxides and sulfides (Garrels and Christ, 1965)

copper — complexation of copper with glycine species (Aksu and Doyle, 2001)

solubility — solubility of calcite as a function of pH (Manning et al., 2013)

wjd — minimize Gibbs energy: atmospheres (Dayhoff et al., 1964) and cell periphery of yeast

dehydration — log K of dehydration reactions; SVG contains tooltips and links^{†}

bugstab — microbial proteins in colorectal cancer (Dick, 2016)

Shh — affinities of transcription factors relative to Sonic hedgehog (Dick, 2015)

activity_ratios — mineral stability plots with activity ratios on the axes

density — density of H

ORP — temperature dependence of oxidation-reduction potential for redox standards

revisit — coefficient of variation of metastable equilibrium activities of proteins

findit — minimize the standard deviation of log

ionize — contour plots of net charge and ionization properties of LYSC_CHICK

buffer — hydrogen fugacity for mineral buffers and aqueous species (Schulte and Shock, 1995)

protbuff — chemical activities buffered by thiol peroxidases or sigma factors

yeastgfp — subcellular locations: log

mosaic — Eh-pH diagram for iron oxides and sulfides (Garrels and Christ, 1965)

copper — complexation of copper with glycine species (Aksu and Doyle, 2001)

solubility — solubility of calcite as a function of pH (Manning et al., 2013)

wjd — minimize Gibbs energy: atmospheres (Dayhoff et al., 1964) and cell periphery of yeast

dehydration — log K of dehydration reactions; SVG contains tooltips and links

bugstab — microbial proteins in colorectal cancer (Dick, 2016)

Shh — affinities of transcription factors relative to Sonic hedgehog (Dick, 2015)

activity_ratios — mineral stability plots with activity ratios on the axes

^{*}Compared to the demo in the package, the image here was made at higher resolution. In most other calculations, CHNOSZ uses thermodynamic and electrostatic properties of H_{2}O taken from SUPCRT92 (not IAPWS-95) for consistency with sources for the thermodynamic database.

^{†}Follow the link to view the interactive SVG image.