Surface Response of Mercury's Sulfides under Solar Wind Ion Irradiation

Datasets of Mg and Ca sulfide samples analyzed for publication "Surface Response of Mercury’s Sulfides under Solar Wind Ion Irradiation" submitted to The Planetary Science Journal. The data is organized into folders that contain the spectra and spreadsheets that contain the chemical analysis data. Folders: the naming structure is "Mineral[_Provider]_EnergyAndSpecies_Spectra" Mineral: Either CaS or MgS Provider: For MgS, we used either Zegen Metals&Chemicals (ZMC) or BenchChem (BC) EnergyAndSpecies: Impacter energy and type Spectra: Either survey spectra with binding energies from 0-1350 eV or high-resolution spectra of specific elements (Ca, Mg, C, and O) Spectrum files: Each spectrum is given as a .spe file with the file name of "Mineral_EnergyAndSpecies-XPS-ID.spe". The files with the "-stats" suffix are repeat measurements to evaluate instrument accuracy. The spectra were fitted in PHI Multipak v9.8. The program includes the instrument-specific sensitivity factors for quantitative analysis. The files can be used in other programmes, such as CasaXPS, following conversion to a VAMAS file. Spreadsheets: Includes the composition analysis results and the ion irradiation fluence that corresponds to the .spe file ID. The spreadsheet lists the composition at each fluence state when all spectra are evaluated using the same integration levels for all fluence steps. Furthermore, there are evaluations where the integration steps were adjusted for each fluence step. The single-spectrum evaluations use different primary photoelectron peaks for Ca, Mg, and S. The analysis used in the corresponding publication is the one within the box at the bottom of the sheet. Reuse of files: We provide these files to allow verification of the chemical analysis presented in the published manuscript. You are free to reuse these spectra to demonstrate the fluence dependency of irradiated CaS and MgS.本数据集为投稿至《行星科学期刊》（The Planetary Science Journal）的论文《太阳风离子辐照下硫化汞的表面响应》（Surface Response of Mercury’s Sulfides under Solar Wind Ion Irradiation）所使用的镁、钙硫化物样品分析数据。 本数据集分为两类文件：存储谱图数据的文件夹，以及存储化学分析数据的电子表格。 文件夹命名规则为："Mineral[_Provider]_EnergyAndSpecies_Spectra"，各字段含义如下： - Mineral：目标矿物，仅可为CaS（硫化钙）或MgS（硫化镁）； - Provider：针对MgS样品，供应商可选Zegen Metals&Chemicals（ZMC）或BenchChem（BC）； - EnergyAndSpecies：代表入射离子的能量与种类； - Spectra：谱图类型，分为结合能范围0~1350 eV的全扫描谱，以及钙、镁、碳、氧等特定元素的高分辨谱两类。 谱图文件：所有谱图均以.spe格式存储，文件命名格式为"Mineral_EnergyAndSpecies-XPS-ID.spe"，其中XPS为X射线光电子能谱（X-ray Photoelectron Spectroscopy, XPS）的缩写。带有"-stats"后缀的文件为重复测量谱，用于评估仪器精度。谱图拟合采用PHI Multipak v9.8软件完成，该软件内置了针对该仪器的定量分析灵敏度因子。将谱图文件转换为VAMAS格式后，可在CasaXPS等其他谱学分析软件中调用。 电子表格：包含样品成分分析结果，以及与.spe文件ID对应的离子辐照注量数据。当所有辐照注量步骤采用统一积分参数进行谱图解析时，电子表格会列出各注量状态下的样品成分。此外，部分解析结果采用了针对每个辐照注量步骤单独调整的积分参数。单谱解析过程中，钙、镁、硫分别采用了各自的原光电离峰进行拟合。对应发表论文中采用的分析结果，即位于表格底部方框内的数据。 文件复用：我们提供此类文件以供读者验证已发表手稿中的化学分析结果，您可自由复用这些谱图，以展示辐照后硫化钙与硫化镁的注量依赖特性。