Description: Software packages and best practice manuals and knowledge transfer for sustained quality control of hydrographic sections in the Atlantic

Description: The presented pilot for the Synthesis Product for Ocean Time Series (SPOTS) includes data from 12 fixed ship-based time-series programs. The related stations represent unique open-ocean and coastal marine environments within the Atlantic Ocean, Pacific Ocean, Mediterranean Sea, Nordic Seas, and Caribbean Sea. The focus of the pilot has been placed on biogeochemical essential ocean variables: dissolved oxygen, dissolved inorganic nutrients, inorganic carbon (pH, total alkalinity, dissolved inorganic carbon, and partial pressure of CO2), particulate matter, and dissolved organic carbon. The time series used include a variety of temporal res- olutions (monthly, seasonal, or irregular), time ranges (10–36 years), and bottom depths (80–6000 m), with the oldest samples dating back to 1983 and the most recent one corresponding to 2021. Besides having been harmo- nized into the same format (semantics, ancillary data, units), the data were subjected to a qualitative assessment in which the applied methods were evaluated and categorized. The most recently applied methods of the time- series programs usually follow the recommendations outlined by the Bermuda Time Series Workshop report (Lorenzoni and Benway, 2013), which is used as the main reference for “method recommendations by prevalent initiatives in the field”. However, measurements of dissolved oxygen and pH, in particular, still show room for improvement. Additional data quality descriptors include precision and accuracy estimates, indicators for data variability, and offsets compared to a reference and widely recognized data product for the global ocean: the GLobal Ocean Data Analysis Project (GLODAP). Generally, these descriptors indicate a high level of continuity in measurement quality within time-series programs and a good consistency with the GLODAP data product, even though robust comparisons to the latter are limited. The data are available as (i) a merged comma-separated file that is compliant with the World Ocean Circulation Experiment (WOCE) exchange format and (ii) a format dependent on user queries via the Environmental Research Division’s Data Access Program (ERDDAP) server of the Global Ocean Observing System (GOOS). The pilot increases the data utility, findability, accessibility, interoperability, and reusability following the FAIR philosophy, enhancing the readiness of biogeochemical time series. It facilitates a variety of applications that benefit from the collective value of biogeochemical time-series observations and forms the basis for a sustained time-series living data product, SPOTS, complementing relevant products for the global interior ocean carbon data (GLobal Ocean Data Analysis Project), global surface ocean carbon data (Surface Ocean CO2 Atlas; SOCAT), and global interior and surface methane and nitrous oxide data (MarinE MethanE and NiTrous Oxide product). Aside from the actual data compilation, the pilot project produced suggestions for reporting metadata, im- plementing quality control measures, and making estimations about uncertainty. These recommendations aim to encourage the community to adopt more consistent and uniform practices for analysis and reporting and to update these practices regularly. The detailed recommendations, links to the original time-series programs, the original data, their documentation, and related efforts are available on the SPOTS website. This site also pro- vides access to the data product (DOI: https://doi.org/10.26008/1912/bco-dmo.896862.2, Lange et al., 2024) and ancillary data.

Description: The Global Ocean Data Analysis Project (GLODAP) is a synthesis effort providing regular compilations of surface to bottom ocean biogeochemical data, with an emphasis on seawater inorganic carbon chemistry and related variables determined through chemical analysis of water samples. This update of GLODAPv2, v2.2019, adds data from 116 cruises to the previous version, extending its coverage in time from 2013 to 2017, while also adding some data from prior years. GLODAPv2.2019 includes measurements from more than 1.1 million water samples from the global oceans collected on 840 cruises. The data for the 12 GLODAP core variables (salinity, oxygen, nitrate, silicate, phosphate, dissolved inorganic carbon, total alkalinity, pH, CFC-11, CFC-12, CFC-113, and CCl4) have undergone extensive quality control, especially systematic evaluation of bias. The data are available in two formats: (i) as submitted by the data originator but updated to WOCE exchange format and (ii) as a merged data product with adjustments applied to minimize bias. These adjustments were derived by comparing the data from the 116 new cruises with the data from the 724 quality-controlled cruises of the GLODAPv2 data product. They correct for errors related to measurement, calibration, and data handling practices, taking into account any known or likely time trends or variations. The compiled and adjusted data product is believed to be consistent to better than 0.005 in salinity, 1 % in oxygen, 2 % in nitrate, 2 % in silicate, 2 % in phosphate, 4 µmol kg−1 in dissolved inorganic carbon, 4 µmol kg−1 in total alkalinity, 0.01–0.02 in pH, and 5 % in the halogenated transient tracers. The compilation also includes data for several other variables, such as isotopic tracers. These were not subjected to bias comparison or adjustments.

Description: The last few decades have seen dramatic changes in the hydrography and biogeochemistry of the Mediterranean Sea. The complex bathymetry and highly variable spatial and temporal scales of atmospheric forcing, convective and ventilation processes contribute to generate complex and unsteady circulation patterns and significant variability in biogeochemical systems. Part of the variability of this system can be influenced by anthropogenic contributions. Consequently, it is necessary to document details and to understand trends in place to better relate the observed processes and to possibly predict the consequences of these changes. In this context we report data from an oceanographic cruise in the Mediterranean Sea on the German research vessel Maria S. Merian (MSM72) in March 2018. The main objective of the cruise was to contribute to the understanding of long-term changes and trends in physical and biogeochemical parameters, such as the anthropogenic carbon uptake and to further assess the hydrographical situation after the major climatological shifts in the eastern and western part of the basin, known as the Eastern and Western Mediterranean Transients. During the cruise, multidisciplinary measurements were conducted on a predominantly zonal section throughout the Mediterranean Sea, contributing to the Med-SHIP and GO-SHIP long-term repeat cruise section that is conducted at regular intervals in the Mediterranean Sea to observe changes and impacts on physical and biogeochemical variables.

Description: The Global Ocean Data Analysis Project (GLODAP) is a synthesis effort providing regular compilations of surface-to-bottom ocean biogeochemical data, with an emphasis on seawater inorganic carbon chemistry and related variables determined through chemical analysis of seawater samples. GLODAPv2.2020 is an update of the previous version, GLODAPv2.2019. The major changes are data from 106 new cruises added, extension of time coverage to 2019, and the inclusion of available (also for historical cruises) discrete fugacity of CO2 (fCO2) values in the merged product files. GLODAPv2.2020 now includes measurements from more than 1.2 million water samples from the global oceans collected on 946 cruises. The data for the 12 GLODAP core variables (salinity, oxygen, nitrate, silicate, phosphate, dissolved inorganic carbon, total alkalinity, pH, CFC-11, CFC-12, CFC-113, and CCl4) have undergone extensive quality control with a focus on systematic evaluation of bias. The data are available in two formats: (i) as submitted by the data originator but updated to WOCE exchange format and (ii) as a merged data product with adjustments applied to minimize bias. These adjustments were derived by comparing the data from the 106 new cruises with the data from the 840 quality-controlled cruises of the GLODAPv2.2019 data product using crossover analysis. Comparisons to empirical algorithm estimates provided additional context for adjustment decisions; this is new to this version. The adjustments are intended to remove potential biases from errors related to measurement, calibration, and data-handling practices without removing known or likely time trends or variations in the variables evaluated. The compiled and adjusted data product is believed to be consistent to better than 0.005 in salinity, 1 % in oxygen, 2 % in nitrate, 2 % in silicate, 2 % in phosphate, 4 µmol kg−1 in dissolved inorganic carbon, 4 µmol kg−1 in total alkalinity, 0.01–0.02 in pH (depending on region), and 5 % in the halogenated transient tracers. The other variables included in the compilation, such as isotopic tracers and discrete fCO2, were not subjected to bias comparison or adjustments.

Description: The Global Ocean Data Analysis Project (GLODAP) is a synthesis effort that provides high-quality, quality-controlled ocean biogeochemical bottle data with annual-updates, playing a crucial role in advancing our understanding of the Earth's oceans and their complex biogeochemical processes. This deliverable covers the GLODAP annual updates under the EuroSea funding, as well as the automatization of the quality control process of the data. Under the EuroSea funding, GLODAP has received three updates (GLODAPv2.2020, GLODAPv2.2021 and GLODAPv2.2022) with a total number of 245 cruises added, and in addition, a new version release (GLODAPv3) is planned. These updates were possible as a result of the large degree of automatization of the quality control process that ensures the accuracy of the data. The core of the quality control process is the crossover analysis that is currently performed via the 2nd QC Matlab toolbox from Lauvset and Tanhua (2015). However, following Eurosea’s vision of a user-focused, truly interdisciplinary, and responsive European ocean observing and forecasting system, this deliverable aims to migrate from the Matlab toolbox to an online web application based on the open-source software Django and Python. This will allow the user to simply upload the data file to be quality controlled and the web application performs the secondary quality control through the deep water crossover analysis just as in Matlab, and offers similar graphics for visualization. Because the crossover analysis is partially automated on this online tool, the users do not need to possess any programming knowledge in order to quality control their data. In addition, this online tool can be part of a fully automated GLODAP quality control process, without need for manual intervention.

Description: Effective data management plays a key role in oceanographic research as cruise-based data, collected from different laboratories and expeditions, are commonly compiled to investigate regional to global oceanographic processes. Here we describe new and updated best practice data standards for discrete chemical oceanographic observations, specifically those dealing with column header abbreviations, quality control flags, missing value indicators, and standardized calculation of certain properties. These data standards have been developed with the goals of improving the current practices of the scientific community and promoting their international usage. These guidelines are intended to standardize data files for data sharing and submission into permanent archives. They will facilitate future quality control and synthesis efforts and lead to better data interpretation. In turn, this will promote research in ocean biogeochemistry, such as studies of carbon cycling and ocean acidification, on regional to global scales. These best practice standards are not mandatory. Agencies, institutes, universities, or research vessels can continue using different data standards if it is important for them to maintain historical consistency. However, it is hoped that they will be adopted as widely as possible to facilitate consistency and to achieve the goals stated above.

Description: Accurately predicting future ocean acidification (OA) conditions is crucial for advancing OA research at regional and global scales, and guiding society's mitigation and adaptation efforts. This study presents a new model-data fusion product covering 10 global surface OA indicators based on 14 Earth System Models (ESMs) from the Coupled Model Intercomparison Project Phase 6 (CMIP6), along with three recent observational ocean carbon data products. The indicators include fugacity of carbon dioxide, pH on total scale, total hydrogen ion content, free hydrogen ion content, carbonate ion content, aragonite saturation state, calcite saturation state, Revelle Factor, total dissolved inorganic carbon content, and total alkalinity content. The evolution of these OA indicators is presented on a global surface ocean 1° × 1° grid as decadal averages every 10 years from preindustrial conditions (1750), through historical conditions (1850–2010), and to five future Shared Socioeconomic Pathways (2020–2100): SSP1-1.9, SSP1-2.6, SSP2-4.5, SSP3-7.0, and SSP5-8.5. These OA trajectories represent an improvement over previous OA data products with respect to data quantity, spatial and temporal coverage, diversity of the underlying data and model simulations, and the provided SSPs. The generated data product offers a state-of-the-art research and management tool for the 21st century under the combined stressors of global climate change and ocean acidification. The gridded data product is available in NetCDF at the National Oceanic and Atmospheric Administration (NOAA) National Centers for Environmental Information: https://www.ncei.noaa.gov/data/oceans/ncei/ocads/metadata/0259391.html, and global maps of these indicators are available in jpeg at: https://www.ncei.noaa.gov/access/ocean-carbon-acidification-data-system/synthesis/surface-oa-indicators.html. Key Points: - This study presents the evolution of 10 ocean acidification (OA) indicators in the global surface ocean from 1750 to 2100 - By leveraging 14 Earth System Models (ESMs) and the latest observational data, it represents a significant advancement in OA projections - This inter-model comparison effort showcases the overall agreements among different ESMs in projecting surface ocean carbon variables

Description: Ocean data synthesis products for specific biogeochemical essential ocean variables have the potential to facilitate today’s biogeochemical ocean data usage and comply with the Findable Accessible Interoperable and Reusable (FAIR) data principles. The products constitute key outputs from the Global Ocean Observation System, laying the observational foundation for information and services regarding climate and environmental status of the ocean. Using the Framework of Ocean Observing (FOO) readiness level concept, we present an evaluation framework for biogeochemical data synthesis products, which enables a systematic assessment of each product’s maturity. A new criteria catalog provides the foundation for assigning scores to the nine FOO readiness levels. As an example, we apply the assessment to four existing biogeochemical essential ocean variables data products. In descending readiness level order these are: The Surface Ocean CO2 Atlas (SOCAT); the Global Ocean Data Analysis Project (GLODAP); the MarinE MethanE and NiTrous Oxide (MEMENTO) data product and the Global Ocean Oxygen Database and ATlas (GO2DAT). Recognizing that the importance of adequate and comprehensive data from the essential ocean variables will grow, we recommend using this assessment framework to guide the biogeochemical data synthesis activities in their development. Moreover, we envision an overarching cross-platform FAIR biogeochemical data management system that sustainably supports the products individually and creates an integrated biogeochemical essential ocean variables data synthesis product; in short a system that provides truly comparable and FAIR data of the entire biogeochemical essential ocean variables spectrum.