CHNOSZ package - RDocumentation

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Version

Install

install.packages('CHNOSZ')

Monthly Downloads

591

Version

2.2.0

License

GPL-3

Homepage

https://chnosz.net/

Maintainer

Jeffrey Dick

Last Published

June 20th, 2025

Functions in CHNOSZ (2.2.0)

Amino acid compositions of proteins

Functions to Work with the Thermodynamic Database

Properties of water from IAPWS-95

Thermodynamic properties of minerals

Simple NaCl-water solution model

Regress equations-of-state parameters for aqueous species

Deep Earth Water (DEW) model

Thermodynamic calculations and diagrams for geochemistry

Chemical affinities of formation reactions

Define basis species

Search the thermodynamic database

Run examples from the documentation

Fit thermodynamic parameters to formation constants (log K)

Chemical activity diagrams

Calculating buffered chemical activities

Combine diagrams for multi-metal systems

Equilibrium chemical activities of species

Properties of ionization of proteins

Parse chemical formulas

Stacked mosaic diagram

Summaries of thermodynamic properties of proteins

Retrieve species by element

Properties of species and reactions

Conditional parallel processing

Species of interest

Equilibrium chemical activities of species

Activity coefficients of aqueous species

Average ranks of chemical affinities

Chemical affinities with changing basis species

util.expression

Functions to express chemical formulas and properties

Functions to make legend text

Functions to work with chemical formulas

Functions for miscellaneous tasks

Functions to work with multidimensional arrays

Functions to work with lists

Extract data from NCBI taxonomy files

Swap basis species

Functions for checking thermodynamic data

Thermodynamic database and system settings

Functions to work with sequence data

Functions to convert units

Functions to create and modify plots

Functions for properties of water and steam

Properties of water

Functions for proteins (other calculations)