Supplementary Data & Software for "Balancing the marine sulfur cycle", Johnson & Adkins (submitted)

These files are the supplementary data and software for the manuscript "Balancing the marine sulfur cycle" by Johnson & Adkins (submitted).

The MATLAB workspace file "DeepSeaSO4_ClusterAnalysisData.mat" contains organized data structures with DSDP, ODP, and IODP site metadata, porosity data, pore water sulfate concentration data, methane concentration data, total organic carbon wt% data, and calcium carbonate wt% data + their corresponding depths. These data served as the basis for the cluster analysis performed by the included MATLAB script "SO4_conc_cluster_analysis.m" in the study.

The "DatasetS1.xlsx" spreadsheet file contains all compiled pyrite sulfur isotopic data, pyrite abundance data, and total sulfur abundance data included within the literature compilation discussed in the manuscript. Pyrite sulfur isotopic data references are listed and are cited in the main text. DOI URLs for the total sulfur abundance data from the PANGAEA repository are also included in the spreadsheet. These data have additionally been saved into the MATLAB workspace files "Pyrite_d34S_Comp.mat" and "Pyrite Abundance_Comp.mat" for import into MATLAB by other scripts.

The MATLAB workspace file "POROSITY.mat" includes vectors of latitude (in degrees), longitude (in degrees), water depth (in mbsl), sediment depth (in mbsf), porosity (in vol%), and corresponding PANGAEA DOI URLs along with the data tables from which this information was extracted. This file is called by "PorosityPlotter.m" to extract initial porosity values, compile coring methods, and make plots of initial porosity as a function of water depth for each coring method.

The MATLAB script "hypsometry.m" loads the global topographic data included in "topography.mat", calculates associated surface areas across different ocean depth intervals, and determines average porosity and sedimentary pyrite parameters across those intervals in tandem with "S_Iso_Mass.m". "S_Iso_Mass.m" uses the averages to calculate the steady-state sulfur isotopic composition of seawater.

The script "phi_waterdepth_analysis.m" loads the cluster analysis data and uses the corresponding porosity data to calculate linear regressions between initial porosity and water depth for use by other scripts; the workspace files "phi_waterdepth_fit.mat" and "phi_waterdepth_trimmed_fit.mat" are saved versions of the regressions used in the manuscript and called by "hypsometry.m" for calculating averages. 

The additional included files "PyriteSAbundanceCompilationSources.pdf" and "PorosityCompilationSources.pdf" files include full citations to the data included in the pyrite S abundance and porosity compilations (respectively).

本文件集为Johnson与Adkins提交的手稿"Balancing the marine sulfur cycle"的补充数据与配套软件。

MATLAB工作区文件`DeepSeaSO4_ClusterAnalysisData.mat`包含结构化整理后的数据集，涵盖深海钻探计划（Deep Sea Drilling Project, DSDP）、大洋钻探计划（Ocean Drilling Program, ODP）与综合大洋钻探计划（Integrated Ocean Drilling Program, IODP）的站位元数据、孔隙度数据、孔隙水硫酸盐浓度数据、甲烷浓度数据、总有机碳质量分数数据、碳酸钙质量分数数据及其对应深度。上述数据为本研究配套MATLAB脚本`SO4_conc_cluster_analysis.m`所执行的聚类分析的基础数据源。

电子表格文件`DatasetS1.xlsx`包含手稿中提及的文献汇编内所有黄铁矿硫同位素数据、黄铁矿丰度数据与总硫丰度数据。黄铁矿硫同位素数据的参考文献已列出，并在正文中予以引用。本电子表格同时包含来自PANGAEA数据库的总硫丰度数据的数字对象标识符（Digital Object Identifier, DOI）链接。此外，上述数据已分别保存至MATLAB工作区文件`Pyrite_d34S_Comp.mat`与`Pyrite Abundance_Comp.mat`，以供其他MATLAB脚本导入使用。

MATLAB工作区文件`POROSITY.mat`包含纬度（单位：度）、经度（单位：度）、水深（单位：米水深，meters below sea level, mbsl）、沉积物深度（单位：米海底下，meters below seafloor, mbsf）、孔隙度（单位：体积百分比，vol%）的向量数据，以及对应的PANGAEA数据库DOI链接与数据来源表格。MATLAB脚本`PorosityPlotter.m`将调用该文件，以提取初始孔隙度数值、整理取芯方法，并绘制不同取芯方法下初始孔隙度随水深变化的关系图。

MATLAB脚本`hypsometry.m`将加载`topography.mat`中包含的全球地形数据，计算不同海洋深度区间对应的表面积，并配合MATLAB脚本`S_Iso_Mass.m`确定各区间内的平均孔隙度与沉积黄铁矿参数。`S_Iso_Mass.m`将利用上述平均值计算海水的稳态硫同位素组成。

MATLAB脚本`phi_waterdepth_analysis.m`将加载聚类分析数据，并利用对应的孔隙度数据计算初始孔隙度与水深之间的线性回归关系，以供其他脚本使用；MATLAB工作区文件`phi_waterdepth_fit.mat`与`phi_waterdepth_trimmed_fit.mat`为本手稿中使用的回归结果保存版本，将被`hypsometry.m`调用以计算平均值。

本次附带的`PyriteSAbundanceCompilationSources.pdf`与`PorosityCompilationSources.pdf`文件分别包含了黄铁矿硫丰度汇编与孔隙度汇编所用数据的完整参考文献。