Dataset for: Pressure-Controlled Differentiation Links Volcanic Liquids and Plutonic Cumulates in the Trans-Himalayan Arc: A Quantitative Thermodynamic Framework

Here is the complete, formatted text ready to copy and paste directly into that Zenodo Description box: This repository contains the complete whole-rock geochemical dataset, representative parental magma selections, thermodynamic simulation outputs, reconstructed lower-crustal cumulate compositions, phase saturation matrices, and Python post-processing workflows for the study: "Pressure-Controlled Differentiation Links Volcanic Liquids and Plutonic Cumulates in the Trans-Himalayan Arc: A Quantitative Thermodynamic Framework" submitted to Geochemistry, Geophysics, Geosystems (G-Cubed). Supplementary Assets & Captions Table_S1.csv — Supplementary Table S1: Quality-Controlled Screened Whole-Rock Geochemical Dataset (GEOROC). Caption: Quality-controlled whole-rock geochemical dataset compiled from the GEOROC database after removal of incomplete analyses, altered samples, and analyses failing analytical quality-control criteria. The dataset forms the basis for all subsequent statistical analyses and thermodynamic modelling. Table_S2_Representative_Parental_Magma_Compositions.csv — Supplementary Table S2: Representative Parental Magma Compositions (Cluster Centroids). Caption: Whole-rock major- and trace-element compositions of the three representative primitive melts selected from the clustered primitive magma dataset using silhouette analysis. These natural samples correspond to the compositions nearest the respective cluster centroids and were used as starting initial liquids for pMELTS simulations. Table_S3_Complete_pMELTS_Trajectory_Dataset.csv — Supplementary Table S3: Complete pMELTS Simulation Trajectory Dataset. Caption: Stepwise liquid compositions, bulk solid compositions, mineral phase abundances, thermodynamic conditions, and derived parameters for all 288 pMELTS simulations performed in this study. This dataset provides the complete computational output underlying liquid evolution, cumulate evolution, and phase evolution. Table_S4_Bulk_Cumulate_Solid_Compositions.csv — Supplementary Table S4: Bulk Whole-Rock Compositions and Modal Proportions of Equilibrium Cumulates. Caption: Reconstructed bulk cumulate compositions calculated by mass-weighting the oxide compositions of all crystallizing phases according to their instantaneous phase masses during equilibrium crystallization. Modal phase abundances are reported as decimal fractions of the total crystalline assemblage. Table_S5_Phase_Saturation_Temperatures_and_Sequences.csv — Supplementary Table S5: Phase Saturation Temperatures and Order of Appearance. Caption: Temperatures of first appearance of principal crystallizing mineral phases together with their order of appearance for each representative simulation. These results provide the mineralogical framework for phase evolution across the pressure–H2O grid. Supp. Material S6.txt — Supplementary Material S6: Complete Python Workflow for Automated pMELTS Execution & Post-Processing. Caption: Complete Python pipeline used to execute the 288-run pMELTS parameter grid via PetThermoTools, process model outputs, compute bulk cumulate compositions, determine phase saturation sequences, calculate trajectory-to-cloud misfits, and render publication figures. User-specific file paths are replaced with placeholders to ensure full computational reproducibility.