Laboratory time series moisture manipulative experiment from sediment across the contiguous US: time series aerobic respiration and geochemistry (v2)

This dataset supports a broader study examining the effects of wetting and drying on hyporheic zone respiration across the contiguous United States (CONUS). The dataset provides data generated from a laboratory moisture manipulation experiment. The contents include time series aerobic respiration and moisture; dissolved oxygen; sediment geochemistry data; and field metadata (including qualitative information on instream and river corridor characteristics).
Samples were collected as part of the WHONDRS CONUS-Scale Model-Sample Study (CM). This study was designed following ICON (integrated, coordinated, open, and networked) principles to facilitate a model-experiment (ModEx) iteration approach, leveraging crowdsourced sampling across the CONUS. The data package associated with the CM study is available at https://data.ess-dive.lbl.gov/view/doi:10.15485/1923689. CM sampling began in April 2022 and ended in October 2023. This study uses subsamples from a subset of CM samples collected between June 2022 and June 2023. The original field samples were labeled as CM_###. Subsequent subsamples for this study were labeled as EC_###. The labels from the field samples and the EC subsamples can be mapped directly based on the digits following the prefix and underscore (i.e., EC_001 is a subsample from CM_001). See the critical details section below for more details on sample naming.
This data package was originally published in August 2024. It was updated in February 2026 (v2; new and modified files). See the change history section in the readme for more details.
For details on how to navigate this data package, see this infographic from the River Corridor SFA https://data.ess-dive.lbl.gov/portals/PNNLRiverCorridorSFA/About.
This dataset is comprised of one folder of raw Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) data and one main data folder containing (1) file-level metadata; (2) data dictionary; (3) field metadata; (4) readme; (5) field protocol; and a (6) a subfolder with sediment sample data from the incubation experiment. The sample data subfolder contains (1) dissolved organic carbon (DOC, measured as non-purgeable organic carbon, NPOC); (2) total nitrogen (TN); (3) adenosine triphosphate (ATP); (4) percent carbon and nitrogen; (5) effect size; (6) iron (II); (7) gravimetric moisture; (8) respiration rates and raw dissolved oxygen values; (9) specific conductance; (10) pH; (11) temperature; (12) a summary containing median values of each data type for each treatment (wet and dry); (13) methods codes; (14) FTICR-MS methods; and (15) a subfolder of 9.4 Tesla FTICR-MS data. This folder contains three subfolders, one containing the sediment .xml data files, one containing the sediment CoreMS output files, the other containing instructions and scripts for processing the files in CoreMS (https://github.com/EMSL-Computing/CoreMS). All files are .csv, .pdf, .R, .ref, or .xml.

本数据集支撑一项更广泛的研究，该研究旨在探究美国本土（contiguous United States, CONUS）潜流带呼吸作用受干湿循环的影响效应。数据集提供了实验室水分调控实验产生的原始数据，内容涵盖好氧呼吸与水分时间序列、溶解氧、沉积物地球化学数据，以及野外元数据（包含河道与河流廊道特征的定性信息）。

样本采集作为WHONDRS美国本土尺度模型-样本研究（WHONDRS CONUS-Scale Model-Sample Study, CM）的一部分开展。该研究遵循整合、协同、开放、网络化（integrated, coordinated, open, and networked, ICON）原则，采用模型-实验（model-experiment, ModEx）迭代研究范式，依托美国本土范围内的众包采样完成。CM研究对应的数据包可通过https://data.ess-dive.lbl.gov/view/doi:10.15485/1923689获取。CM采样工作始于2022年4月，终止于2023年10月。

本研究使用的子样本取自2022年6月至2023年6月间采集的部分CM样本。原始野外样本命名格式为CM_###，本研究的子样本命名格式为EC_###。野外样本与EC子样本的标签可直接通过前缀与下划线后的数字进行匹配（例如EC_001对应CM_001的子样本）。更多样本命名的关键细节请参阅下文的关键细节章节。

本数据集由一个主数据文件夹构成，内含：(1) 文件级元数据；(2) 数据字典；(3) 野外元数据；(4) 说明文档（readme）；(5) 野外采样规程；以及(6) 一个用于存放孵化实验沉积物样本数据的子文件夹。

样本数据子文件夹包含以下内容：(1) 溶解性有机碳（dissolved organic carbon, DOC，以不可吹扫有机碳non-purgeable organic carbon, NPOC形式测定）；(2) 总氮（total nitrogen, TN）；(3) 三磷酸腺苷（adenosine triphosphate, ATP）；(4) 碳与氮百分含量；(5) 效应量；(6) 二价铁；(7) 重量法水分含量；(8) 呼吸速率与原始溶解氧数值；(9) 电导率；(10) pH值；(11) 温度；(12) 湿润组与干燥组各处理项下各项数据的中位数汇总表；(13) 方法代码；(14) 傅里叶变换离子回旋共振质谱（Fourier transform ion cyclotron resonance mass spectrometry, FTICR-MS）分析方法；以及(15) 一个包含9特斯拉FTICR-MS数据的子文件夹。该子文件夹包含两个次级子文件夹：一个存放.xml格式数据文件，另一个包含Formularity软件（https://omics.pnl.gov/software/formularity）使用说明与一份R脚本，用于根据用户个性化需求处理数据。所有文件格式为.csv、.pdf、.R、.ref或.xml。