Temporal Study 2021-2022: Sample-Based Surface Water Chemistry and Organic Matter Characterization across Watersheds in the Yakima River Basin, Washington, USA (v2)

This dataset supports a broader study examining the drivers of temporal variability in sediment respiration rates in the Yakima River Basin. The dataset provides geochemistry and organic matter characterization data generated from samples collected at weekly or bi-weekly intervals at six sites across the Yakima River Basin in Washington, USA. Related sensor data can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1892054. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) dissolved inorganic carbon (DIC), dissolved organic carbon (DOC; reported as non-purgeable organic carbon; NPOC), total nitrogen (TN), total suspended solids (TSS), and ions; (5) averaged values from water chemistry data; (6) surface water sampling protocol; (7) sensor protocol; (8) readme; (9) methods codes; (10) international geo-sample number (IGSN) mapping file; and (11) folder of high resolution characterization of organic 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). This folder contains two subfolders, one containing the .xml data files and the other containing 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 files are .csv, .pdf, .R, .ref, or .xml. This data package was originally published in November 2022. It was updated in November 2023 (v2). See the change history section in the readme for more details.本数据集支撑一项旨在探究美国华盛顿州亚基马河流域沉积物呼吸速率时间变异性驱动因素的拓展研究。数据集包含从该流域6个采样点按周或隔周间隔采集的样本所生成的地球化学与有机质表征数据。相关传感器数据可通过https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1892054获取。本数据集由一个主数据文件夹构成，内含11项内容：(1) 文件级元数据；(2) 数据字典；(3) 现场元数据；(4) 溶解无机碳（dissolved inorganic carbon, DIC）、溶解有机碳（dissolved organic carbon, DOC，以不可吹扫有机碳non-purgeable organic carbon, NPOC形式报告）、总氮（total nitrogen, TN）、总悬浮颗粒物（total suspended solids, TSS）及离子数据；(5) 水化学数据平均值；(6) 地表水采样规程；(7) 传感器操作规范；(8) 自述文件；(9) 方法代码；(10) 国际地质样品编号（international geo-sample number, IGSN）映射文件；(11) 由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（Fourier transform ion cyclotron resonance mass spectrometry, FTICR-MS）开展的高分辨率有机质表征文件夹。该文件夹包含两个子文件夹：其一存储.xml格式数据文件，其二提供Formularity软件（https://omics.pnl.gov/software/formularity）的使用说明及一款可根据用户特定需求处理数据的R脚本。所有文件格式包括.csv、.pdf、.R、.ref及.xml。本数据包最初于2022年11月发布，并于2023年11月更新至v2版本。更多变更细节可参阅自述文件中的变更历史章节。