WHONDRS Summer 2019 Sampling Campaign: Global River Corridor Surface Water FTICR-MS, NPOC, TN, Anions, Stable Isotopes, Bacterial Abundance, and Dissolved Inorganic Carbon (v6)

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 surface water samples and does not include any results from the sediment. Sediment data can be found at https://data.ess-dive.lbl.gov/view/doi:10.15485/1729719. Future datasets from this study will include 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 surface water 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) non-purgeable organic carbon (NPOC); (3) stable water isotopes (O and H); (4) specific conductivity (SpC), total nitrogen (TN), and anions; (5) flow cytometry bacterial abundance data; (6) dissolved inorganic carbon (DIC) data; (7) metadata, including international generic-sample number (IGSN) mapping file; (8) file-level metadata (flmd); and (9) data dictionary (dd). 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. All other files are .csv, .pdf, or .txt. This data package was updated in July 2021 to add SpC, TN, and anion data and accompanying documentation. This data package was updated in January 2023 to add flow cytometry bacterial data, accompanying documentation, flmd, and dd. The data package was updated in February 2023 to add DIC data and accompanying documentation. The data package was updated in August 2023 to add IGSN mapping file, correct field metadata, and update accompanying documentation. See change history in readme for details. Please use the data package’s DOI to cite the data package. We ask that you email us at [e-mail] to let us know that you are using the data and acknowledge WHONDRS and the U.S. Department of Energy's Environmental System Science program—which generously provides funding to WHONDRS—in your publications, proposals, presentations, etc. All data are free to be used for any purpose, such as for manuscripts, presentations, and grant proposals. There is no obligation to include WHONDRS members as co-authors.

WHONDRS 2019年夏季采样（S19S）项目于2019年7月至9月期间，在全球97个广泛分布的河流廊道系统中完成了样品采集工作。每个采样点在上、中、下游三个位置均采集了表层河床沉积物，下游点位同时采集了地表水样本。本数据集仅包含地表水样品产出的部分数据类型，未包含任何沉积物相关检测结果。沉积物数据可通过链接https://data.ess-dive.lbl.gov/view/doi:10.15485/1729719获取。本研究后续数据集将涵盖地表水与沉积物的水文及微生物组数据。S19S项目由科学界协同设计，旨在探究核心/瞬时代谢组、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特性之间的关联问题。本数据集包含以下9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），通过12特斯拉傅里叶变换离子回旋共振质谱（FTICR-MS）对地表水中的溶解有机物开展高分辨表征；(2) 不可吹扫有机碳（Non-purgeable organic carbon, NPOC）；(3) 稳定水同位素（氧、氢同位素）；(4) 比电导率（Specific conductivity, SpC）、总氮（Total nitrogen, TN）及阴离子；(5) 流式细胞术细菌丰度数据；(6) 溶解无机碳（Dissolved inorganic carbon, DIC）数据；(7) 元数据，包含国际通用样品编号（International Generic-Sample Number, IGSN）映射文件；(8) 文件级元数据（file-level metadata, flmd）；(9) 数据字典（data dictionary, dd）。FTICR-MS文件格式为.xml，本数据包附带了Formularity（https://omics.pnl.gov/software/formularity）使用说明及一款可根据用户特定需求处理数据的R脚本。其余所有文件格式为.csv、.pdf或.txt。本数据包于2021年7月更新，新增了比电导率、总氮、阴离子数据及配套文档；2023年1月更新，新增了流式细胞术细菌数据、配套文档、文件级元数据及数据字典；2023年2月更新，新增了溶解无机碳数据及配套文档；2023年8月更新，新增了IGSN映射文件、修正了野外元数据并更新了配套文档。详细变更历史请参阅readme文件。请使用本数据包的DOI进行引用。我们恳请您通过[e-mail]邮箱告知我们您的使用意向，并在您的出版物、提案、汇报等内容中致谢WHONDRS以及为WHONDRS提供慷慨资助的美国能源部环境系统科学项目。本数据集可免费用于任何用途，包括论文撰写、汇报展示及资助申请等。无需强制将WHONDRS成员列为共同作者。