WHONDRS Summer 2019 Sampling Campaign: Global River Corridor Sediment FTICR-MS, Dissolved Organic Carbon, Aerobic Respiration, Elemental Composition, and Grain Size

The WHONDRS Summer 2019 Sampling (S19S) Campaign collected samples in 97 globally distributed river corridor systems between July and September 2019. Surficial streambed sediments were collected at three locations within each site (upstream, midstream, and downstream). Surface water was collected at the downstream site. This dataset includes a portion of the data types produced from the sediment samples and does not include any results from the surface water. Surface water data can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1603775. Future datasets from this study will include geochemical, hydrologic, and microbial data from the surface water and sediment. The S19S campaign was designed with the science community to ask questions associated with links among core/transient metabolomes, microbial metabolism, biogeochemical function, and physical properties of watershed and river corridor systems. This dataset contains (1) high resolution characterization of dissolved organic matter from sediment via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory); (2) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC); (3) respiration rates calculated from laboratory incubations; (4) X-ray fluorescence (XRF) elemental composition; (5) grain size distribution from the < 2 millimeter fraction of sediment; (6) site photos; and (7) field and laboratory methods metadata. The FTICR-MS files are .xml, and the data package includes instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user’s specific needs. The XRF data includes .msa, .txt, and .spx files. All other data files are .csv, .pdf, .txt, .jpg, or .jpeg. This data package was originally published in December 2020. It was updated in April 2021, May 2022, and November 2022. See the change history section in the data package readme for more details.WHONDRS 2019年夏季采样（S19S）项目于2019年7月至9月间，在全球分布的97个河流廊道系统中完成样本采集。每个采样点的表层河床沉积物分别在上游、中游、下游三个点位收集；地表水仅在下游点位采集。本数据集仅涵盖沉积物样本产生的部分数据类型，未包含任何地表水相关检测结果。地表水数据可通过以下链接获取：https://data.ess-dive.lbl.gov/view/doi:10.15485/1603775。本研究后续发布的数据集将包含地表水与沉积物的地球化学、水文及微生物学数据。 S19S项目联合科学界共同设计，旨在探究核心/瞬态代谢组、微生物代谢、生物地球化学功能与流域及河流廊道系统物理性质之间的关联问题。本数据集包含以下7类内容：(1) 依托环境分子科学实验室（Environmental Molecular Sciences Laboratory, EMSL；https://www.pnnl.gov/environmental-molecular-sciences-laboratory）的12特斯拉傅里叶变换离子回旋共振质谱（Fourier transform ion cyclotron resonance mass spectrometry, FTICR-MS），对沉积物中的溶解性有机质开展高分辨表征；(2) 溶解性有机碳（dissolved organic carbon, DOC，以不可吹扫有机碳（NPOC）为测定指标）；(3) 基于实验室培养实验计算得到的呼吸速率；(4) X射线荧光（X-ray fluorescence, XRF）元素组成分析数据；(5) 沉积物粒径<2毫米组分的粒度分布数据；(6) 采样点现场照片；(7) 野外与实验室方法元数据。 FTICR-MS数据文件格式为.xml，本数据包附带Formularity软件（https://omics.pnl.gov/software/formularity）的使用说明，以及可根据用户特定需求处理数据的R脚本。XRF数据包含.msa、.txt与.spx格式文件；其余所有数据文件格式为.csv、.pdf、.txt、.jpg或.jpeg。 本数据包最初于2020年12月发布，并分别于2021年4月、2022年5月及2022年11月完成更新。更多细节可查阅数据包自述文件中的变更历史章节。