Martian simulant analysis dataset

This dataset contains data derived from chemical, mineralogical, granulometric and hyperspectral acquisitions of Mars Global (MGS-1) High-Fidelity Martian Dirt Simulant [1], Mojave Mars Simulant MMS-1 and Enhanced Mars Simulant (MMS-2). The instruments used for this work are:
- Laser Diffraction Particle Size Analyzer Malvern Panalytical Mastersizer3000: granulometric analysis;
- Inductively Coupled Plasma Mass Spectrometer (ICP-MS) Perkin-Elmer NexION 350X: chemical analysis;
- X-Ray powder Diffractometer (XRD) Philips X’Pert PRO: mineralogical analysis;
- Scanning Electron Microscope (SEM-EDS) Tescan SOLARIS equipped with Oxford Instruments microanalytical system: mineralogical analysis.
- Headwall Photonics Nano-Hyperspec (400-1000 nm) and Micro-Hyperspec (900-2500 nm) cameras: hyperspectral acquisitions;
The Mastersizer3000 software creates tables and related plots of grainsize ready to use.
The detector of mass spectrometer generates data in CPS (counts per second). Knowing the dilutions of the solutions, the spectrometer software calculates the quantities in terms of weight over volume (µg/l) in a table. Thereafter, knowing the initial weights of the simulant in the solutions, the operator converts data from weight over volume (µg/l) to weight over weight (mg/kg).
Qualitative phase analysis on powder diffraction data has been run through a search-match algorithm, in order to identify the minerals species. Quantitative phase analysis has been performed using the Rietveld method with internal standard addition, as implemented in Profex-BGMS v. 5.2.3.
The SEM products are photos of the sites, where the mineralogical analysis is performed, and graphs with peaks. The peaks are associated with specific chemical elements through the SEM software, that allows to determine the minerals present in the simulant. It was carried out only on the largest grains of MGS-1 simulant.
The hyperspectral cameras acquire hyperspectral cubes that the operator can open in ENVI software [3] or similar ones for hyperspectral imaging data-sets to extrapolate the spectrum of the simulants. The spectrum is saved in table format (ASCII) and can be opened in Origin software [4] or any software dedicated to graph and table management (e.g., Excel). In Origin, the operator produces the spectral plot, where he/she can continue with direct interpretations of absorption peaks, characteristic of particular minerals.

本数据集源自火星全球（MGS-1）高保真火星土壤模拟物[1]、莫哈韦火星模拟物MMS-1以及增强型火星模拟物（MMS-2）的化学、矿物学、粒度学与高光谱采集数据。本研究使用的仪器如下：
- 马尔文帕纳科（Malvern Panalytical）Mastersizer3000激光衍射粒度分析仪：用于粒度分析；
- 珀金埃尔默（Perkin-Elmer）NexION 350X电感耦合等离子体质谱仪（ICP-MS）：用于化学分析；
- 飞利浦（Philips）X’Pert PRO X射线粉末衍射仪（XRD）：用于矿物学分析；
- 配备牛津仪器（Oxford Instruments）微分析系统的泰思肯（Tescan）SOLARIS扫描电子显微镜（SEM-EDS）：用于矿物学分析；
- 海德沃光子（Headwall Photonics）Nano-Hyperspec（400~1000 nm）与Micro-Hyperspec（900~2500 nm）相机：用于高光谱采集；
Mastersizer3000配套软件可生成可直接使用的粒度表格与相关绘图。
质谱仪的探测器以每秒计数（CPS, counts per second）格式生成数据。在知晓溶液稀释比例的前提下，质谱软件可通过表格计算得到单位体积质量浓度（µg/l）。随后，结合模拟物在溶液中的初始称样量，操作人员可将数据从单位体积质量浓度（µg/l）转换为单位质量质量浓度（mg/kg）。
针对粉末衍射数据的物相定性分析采用检索匹配算法，以识别矿物种类。物相定量分析则采用内标法结合里特维尔德（Rietveld）方法，该实现基于Profex-BGMS v.5.2.3软件。
扫描电子显微镜的产出物包括矿物分析点位的显微照片与特征峰图谱。通过SEM配套软件，可将特征峰与特定化学元素关联，进而确定模拟物中存在的矿物。该项分析仅针对MGS-1模拟物的最大粒径颗粒开展。
高光谱相机可采集高光谱立方体数据，操作人员可通过ENVI软件[3]或其他同类高光谱成像数据集处理软件打开该数据，以提取模拟物的光谱信息。光谱数据以ASCII表格格式保存，可通过Origin软件[4]或其他专业图表与表格管理软件（如Excel）打开。在Origin软件中，操作人员可绘制光谱图，并据此对特征吸收峰进行直接解读——此类吸收峰是特定矿物的标志性特征。

搜集汇总

背景与挑战

背景概述

该数据集包含对三种火星模拟物（MGS-1、MMS-1和MMS-2）的化学、矿物学、粒度及高光谱分析数据，采集于2023年至2024年，使用多种先进仪器（如质谱仪、X射线衍射仪和高光谱相机）生成。数据集旨在支持火星环境研究，提供详细的物理和化学特性数据，便于科学分析和模拟应用。