X-ray radiation damage cycle of solvated inorganic ions

Data set pertaining to the manuscript "X-ray radiation damage cycle of solvated inorganic ions", accepted for publication at Nature Communication. The manuscript describes results on the low-energy electron emission in a cascade of the decay of core ionized states, explored experimentally by liquid jet multi-electron coincidence spectra compared to theoretical predictions. Here we provide the underlying experimental data including metadata. Files with extension .h5 are hdf5-files structured according to the NeXus standard v2024.02, seehttps://www.nexusformat.org/https://fairmat-experimental.github.io/nexus-fairmat-proposal/50433d9039b3f33299bab338998acb5335cd8951/mpes-structure.htmlNeXus data files can be opened with any software capable of opening hdf5-structured files. The following viewers are adapted to the specifics of the NeXus data format:* nexpy (distributed with python)* https://h5web.panosc.eu/h5wasm (web-based NeXus viewer maintained by the European Photon and Neutron Open Science Cloud-consortium)Additionally, some properties of our liquid jet sample environment are described by extensions to standard NeXus explained in a notes-section in each file. In each NeXus file-entry, two types of data are present:1. An energy-calibrated single electron spectra as histogram of the single electron events in events/eV ('data').2. Energy-calibrated single, double and triple electron events ('raw'). The following files are provided: Electron emission coincidence data pertaining to Mg2+ and Al3+ measurements mg_ee_coinc.h5 (Mg2+ data recorded at BESSY II) mg_petra_ee_coinc.h5 (Mg2+ data recorded at PETRA III) al_ee_coinc.h5 (Al3+ data recorded at PETRA III) Contact: Dana Bloß ([e-mail]) Andreas Hans ([e-mail])本数据集关联已被《自然·通讯》（Nature Communications）接收发表的手稿《溶剂化无机离子的X射线辐射损伤循环》。 该手稿报道了核心电离态级联衰变过程中低能电子发射的相关研究成果，研究采用液射流多电子符合谱实验手段开展探索，并与理论预测进行对比分析。本数据集提供了包含元数据（metadata）在内的原始实验数据。 扩展名为.h5的文件为遵循NeXus标准v2024.02构建的HDF5文件，相关规范可参见https://www.nexusformat.org/https://fairmat-experimental.github.io/nexus-fairmat-proposal/50433d9039b3f33299bab338998acb5335cd8951/mpes-structure.html。任意支持读取HDF5结构文件的软件均可打开NeXus格式数据文件，以下工具针对NeXus数据格式的特性完成了适配： * nexpy（随Python分发） * https://h5web.panosc.eu/h5wasm（由欧洲光子与中子开放科学云联盟维护的网页版NeXus可视化工具） 此外，每个文件的注释章节中说明了针对标准NeXus的扩展内容，用于描述本研究中液射流样品环境的部分特性。 每个NeXus文件条目包含两类数据： 1. 经能量校准的单电子能谱：以events/eV为单位的单电子事件直方图（对应'data'字段）。 2. 经能量校准的单、双及三电子事件数据（对应'raw'字段）。 本次提供的文件为与Mg²+和Al³+测量相关的电子发射符合数据： mg_ee_coinc.h5 （在BESSY II装置采集的Mg²+实验数据） mg_petra_ee_coinc.h5 （在PETRA III装置采集的Mg²+实验数据） al_ee_coinc.h5 （在PETRA III装置采集的Al³+实验数据） 联系人： Dana Bloß （[e-mail]） Andreas Hans （[e-mail]）