Welcome! Here is a repository that will be periodically updated with things that we find useful for working with, quantifying, manipulating, and visualizing geochemical data.
This will usually be in the form of Jupyter notebooks, but occasionally more in depth scripts will be written and be called in as modules. One such module that many of the notebooks rely heavily on is the ever evolving module magmatrace. This is also a work in progress but currently has equations pertaining to:
- general melting and crystallization equations (e.g., equilibrium, rayleigh, in situ, etc.)
- plagioclase Arrhenius partitioning equations (e.g., Bindeman et al., 1998; Nielsen et al.; 2017, Tepley et al., 2010)
- general mineral formula recalculation
- mixing models for concentrations and ratios as described by Albarede (1995)
- isotope mixing equations from DePaolo (1981) and Aitcheson and Forrest (1994)
- zircon saturation equations from Boehnke et al., (2013) and Watson and Harrison (1983)
We do not claim to be the sole authors of any of these methodologies and have tried to give credit where credit is due in the function docstrings. Users are first referred to the publication where these fantastic equations originally came from and also the compilations:
- Intro to Geochemical Modeling - Albarede, 1995
- Using Geochemical Data - Rollinson, 1993
- Quantitative Geochemistry - Zou, 2007
- Geochemistry - White, 2013
Happy number crunching!
-- Jordan and Chuck