Mixed-paragenesis diamond inclusions form during metasomatic fluid evolution (dataset)

This dataset is related to "Mixed-paragenesis diamond inclusions form during metasomatic fluid evolution", Mikhail et al. 206, GPL. All the data used for this work are provided here.

Methodology used to collect/generate the data

The dataset comprises geochemical and thermodynamic modelling outputs used to investigate fluid–rock interaction and metasomatism in the mantle. Analytical data (Table S1) were generated through laboratory-based geochemical analyses of natural samples, following established protocols for sample preparation, digestion, and isotopic/elemental measurement.

The model outputs (Model I, Model II, and Eclogitic Fluid datasets) were generated using thermodynamic simulations of fluid–rock interaction under high-pressure and high-temperature conditions. These simulations track the evolution of mineral assemblages, fluid compositions, and phase relations during metasomatic processes. Model parameters (e.g. pressure, temperature, bulk composition) were systematically varied to reproduce natural systems and explore reaction pathways.

Type of files

The dataset includes:

* Tabulated geochemical data (analytical results)
* Model output files from thermodynamic simulations
* Compositional data for fluids, minerals, and bulk systems
* Supporting datasets describing input parameters and calculated phase equilibria

File formats

* .xlsx – Microsoft Excel spreadsheets (e.g. Table S1)
* .txt / .dat (within zipped folders) – plain text model outputs and input files
* .zip – compressed folders containing grouped model datasets (Model I, Model II, Eclogitic Fluid)

Software required to open, visualise and analyse files

* Microsoft Excel (or equivalent such as LibreOffice Calc) for .xlsx files
* Standard text editors (e.g. Notepad++, TextEdit) for .txt / .dat files
* File decompression software (e.g. WinZip, 7-Zip, macOS Archive Utility) for .zip archives

For advanced analysis and visualisation:

* Scientific plotting and data analysis software (e.g. Python, MATLAB, R) may be used to process model outputs and generate figures
* Thermodynamic modelling software (e.g. pMELTS, EQ3/6, or equivalent, depending on user preference) may be required to fully interpret or reproduce the simulations