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Abstract. Radiative transfer (RT) simulations have long been usedto study the relationships between the inherent optical properties (IOPs) ofseawater and light fields within and leaving the ocean, from which oceanapparent optical properties (AOPs) can be calculated. For example, inversemodels used to estimate IOPs from ocean color radiometric measurements have beendeveloped and validated using the results of RT simulations. Here we describe thedevelopment of a new synthetic optical database based on hyperspectral RTsimulations across the spectral range of near-ultraviolet tonear-infrared performed with the HydroLight radiative transfer code. The keycomponent of this development is the generation of a synthetic dataset ofseawater IOPs that serves as input to RT simulations. Compared to similardevelopments of optical databases in the past, the present dataset of IOPsis characterized by the probability distributions of IOPs that are consistentwith global distributions representative of vast areas of open-ocean pelagicenvironments and coastal regions, covering a broad range of optical watertypes. The generation of synthetic data of IOPs associated withparticulate and dissolved constituents of seawater was driven largely by anextensive set of field measurements of the phytoplankton absorptioncoefficient collected in diverse oceanic environments. Overall, thesynthetic IOP dataset consists of 3320 combinations of IOPs. Additionally,the pure seawater IOPs were assumed following recent recommendations. The RTsimulations were performed using 3320 combinations of input IOPs, assumingvertical homogeneity within an infinitely deep ocean. These input IOPs wereused in three simulation scenarios associated with assumptions aboutinelastic radiative processes in the water column (not considered inprevious synthetically generated optical databases) and three simulationscenarios associated with the sun zenith angle. Specifically, the simulationswere made assuming no inelastic processes, the presence of Raman scatteringby water molecules, and the presence of both Raman scattering andfluorescence of chlorophyll a pigment. Fluorescence of colored dissolvedorganic matter was omitted from all simulations. For each of these threesimulation scenarios, the simulations were made for three sun zenith anglesof 0, 30, and 60∘ assuming clear skies, standardatmosphere, and a wind speed of 5 m s−1. Thus, overall 29 880 RTsimulations were performed. The output results of these simulations includeradiance distributions, plane and scalar irradiances, and a whole setof AOPs, including remote-sensing reflectance, vertical diffuseattenuation coefficients, and mean cosines, where all optical variables arereported in the spectral range of 350 to 750 nm at 5 nm intervals fordifferent depths between the sea surface and 50 m. The consistency of thisnew synthetic database has been assessed through comparisons with in situdata and previously developed empirical relationships involving IOPs andAOPs. The database is available at the Dryad open-access repository of researchdata (https://doi.org/10.6076/D1630T, Loisel et al., 2023).

The development of algorithms for remote sensing of water quality (RSWQ) requires a large amount of in situ data to account for the bio-geo-optical diversity of inland and coastal waters. The GLObal Reflectance community dataset for Imaging and optical sensing of Aquatic environments (GLORIA) includes 7,572 curated hyperspectral remote sensing reflectance measurements at 1 nm intervals within the 350 to 900 nm wavelength range. In addition, at least one co-located water quality measurement of chlorophyll a, total suspended solids, absorption by dissolved substances, and Secchi depth, is provided. The data were contributed by researchers affiliated with 59 institutions worldwide and come from 450 different water bodies, making GLORIA the de-facto state of knowledge of in situ coastal and inland aquatic optical diversity. Each measurement is documented with comprehensive methodological details, allowing users to evaluate fitness-for-purpose, and providing a reference for practitioners planning similar measurements. We provide open and free access to this dataset with the goal of enabling scientific and technological advancement towards operational regional and global RSWQ monitoring.

The site AERONET-OC Bahía Blanca (BB-AERONET-OC) is located at the mouth of the Bahía Blanca Estuary, Argentina (Southwestern Atlantic Ocean), a coastal system defined by its high suspended loads and relatively low colored dissolved organic matter. The typically high turbidity of these waters makes the BBAERONET-OC distinctive within the AERONET-OC network stations, providing exceptional opportunities not only for the validation of atmospheric correction algorithms but also for the development of regional algorithms for coastal complex waters. A SeaWiFS Photometer Revision for Incident Surface Measurements (SeaPRISM) instrument was deployed in January 2020 in the upper rail of a Mareograph Tower, a 15 m tall structure, located 10 miles away from the coast in optically deep waters. In this work we used the remote sensing reflectance (Rrs) derived from the BB-AERONET-OC measurements along with in situ hyperspectral radiometric data to classify optical water types (OWTs). We assigned each Rrs(λ) spectra to one of the five OWTs defined by Tran et al., and OWTs were further characterized with the concentrations of optically significant components (chlorophyll-a and suspended particulate matter) and inherent optical properties (absorptions of phytoplankton, non-algal particles, and dissolved organic matter), retrieved from water samples obtained simultaneously with radiometric spectra. Based on a match-up exercise with in situ data, different schemes of atmospheric correction methods were applied to Sentinel-3 Ocean and Land Colour Instrument (OLCI) images. The operational product OLCI Level 2 European Space Agency (ESA) standard (hereafter referred to as “Standard Neural Network (NN)”) proves to be the most suitable atmospheric correction algorithm, which was then used to describe spatial patterns and temporal variability of the different OWTs in the region. The BB-AERONETOC site is located in a sharp transition between estuarine and coastal waters that present contrasting optical conditions: OWT 4 dominates over time (73.72% of the observations), followed by OWT 3 (24.74%) and OWT 5 (1.53%). OWTs 4 and 5 are associated with turbid waters of the Bahía Blanca Estuary, especially OWT 5, which typifies the very turbid waters from the inner estuary, with the particulate load dominated by mineral sediments and detritus. OWT 3, in turn, depicts the eutrophic coastal waters of the inner shelf. The variability of OWTs and the relative contribution of organic and inorganic compounds to the suspended material would be mostly related with the prevalence of northwest winds in the area, which would drive the export of estuarine sediments to the shelf. [ABSTRACT FROM AUTHOR]

Ocean color remote sensing has been used for more than 2 decades to estimate primary productivity. Approaches have also been developed to disentangle phytoplankton community structure based on spectral data from space, in particular when combined with in situ measurements of photosynthetic pigments. Here, we propose a new ocean color algorithm to derive the relative cell abundance of seven phytoplankton groups, as well as their contribution to total chlorophyll a (Chl a) at the global scale. Our algorithm is based on machine learning and has been trained using remotely sensed parameters (reflectance, backscattering, and attenuation coefficients at different wavelengths, plus temperature and Chl a) combined with an omics-based biomarker developed using Tara Oceans data representing a single-copy gene encoding a component of the photosynthetic machinery that is present across all phytoplankton, including both prokaryotes and eukaryotes. It differs from previous methods which rely on diagnostic pigments to derive phytoplankton groups. Our methodology provides robust estimates of the phytoplankton community structure in terms of relative cell abundance and contribution to total Chl a concentration. The newly generated datasets yield complementary information about different aspects of phytoplankton that are valuable for assessing the contributions of different phytoplankton groups to primary productivity and inferring community assembly processes. This makes remote sensing observations excellent tools to collect essential biodiversity variables (EBVs) and provide a foundation for developing marine biodiversity forecasts. [ABSTRACT FROM AUTHOR]

Radiative transfer (RT) simulations have long been used to study relationships between the inherent optical properties (IOPs) of seawater and light fields within and leaving the ocean from which the ocean apparent optical properties (AOPs) can be calculated. For example, inverse models to estimate IOPs from ocean color radiometric measurements have been developed or validated using results of RT simulations. Here we describe the development of a new synthetic optical database based on hyperspectral RT simulations across the spectral range from the near-ultraviolet to near-infrared performed with the HydroLight radiative transfer code. The key component of this development was the generation of the synthetic dataset of seawater IOPs which served as input to RT simulations. Compared to similar developments of optical databases in the past, the present dataset of IOPs characterized by probability distributions of IOPs that are consistent with global distributions representative of vast areas of open ocean pelagic environments and coastal regions covering a broad range of optical water types. The generation of the synthetic data of IOPs associated with particulate and dissolved constituents of seawater was driven largely by an extensive set of field measurements of the phytoplankton absorption coefficient collected in diverse oceanic environments. Overall, the synthetic IOP dataset consists of 3320 combinations of IOPs. Additionally, the pure seawater IOPs were assumed following recent recommendations. The RT simulations were performed using 3320 combinations of input IOPs assuming vertical homogeneity within an infinitely deep ocean. These input IOPs were used in three simulation scenarios associated with assumptions about inelastic radiative processes in the water column and three simulation scenarios associated with sun zenith angle. Specifically, the simulations were made assuming no inelastic processes, the presence of Raman scattering by water molecules, and the presence of both Raman scattering and fluorescence of chlorophyll-a pigment. Fluorescence of colored dissolved organic matter was omitted from all simulations. For each of these three simulation scenarios, the simulations were made for three sun zenith angles of 0°, 30, and 60° assuming clear skies, standard atmosphere, and wind speed of 5 m s-1. Thus, overall 29880 RT simulations were performed. The output results of these simulations include the radiance distributions, plane and scalar irradiances, and the whole set of AOPs including the remote-sensing reflectance, vertical diffuse attenuation coefficients, and mean cosines where all optical variables are reported in the spectral range from 350 to 750 nm at 5 nm intervals for different depths between the sea surface and 50 m. The consistency of this new synthetic database has been assessed through comparisons with in situ data and previously developed empirical relationships involving the IOPs and AOPs. [ABSTRACT FROM AUTHOR]

Ocean color remote sensing offers two decades-long time series of information on phytoplankton abundance. However, determining the structure of the phytoplankton community from this signal is not straightforward, and many uncertainties remain to be evaluated, despite multiple intercomparison efforts of the different available algorithms. Here, we use remote sensing and machine learning to infer the abundance of seven phytoplankton groups at a global scale based on a new molecular method from Tara Oceans. Our dataset is to our knowledge the most comprehensive and complete, available to describe phytoplankton community structure at a global scale using a molecular marker that defines relative abundances of all phytoplankton groups simultaneously. The methodology shows satisfying performances to provide robust estimates of phytoplankton groups using satellite data, with few limitations regarding the global generalization of the method. Furthermore, this new satellite-based methodology allows a valuable global intercomparison with the pigment-based approach used in in-situ and satellite data to identify phytoplankton groups. Nevertheless, these datasets show different, yet coherent information on the phytoplankton, valuable for the understanding of community structure. This makes remote sensing observations excellent tools to collect Essential Biodiversity Variables and provide a foundation for developing marine biodiversity forecasts. [ABSTRACT FROM AUTHOR]

Ocean color remote sensing offers two decades-long time series of information on phytoplankton abundance. However, determining the structure of the phytoplankton community from this signal is not straightforward, and many uncertainties remain to be evaluated, despite multiple intercomparison efforts of the different available algorithms. Here, we use remote sensing and machine learning to infer the abundance of seven phytoplankton groups at global scale based on a new molecular method from Tara Oceans. Our dataset is to our knowledge the most comprehensive and complete, available to describe phytoplankton community structure at global scale using a molecular marker that defines relative abundances of all phytoplankton groups simultaneously. The methodology shows satisfying performances to provide robust estimates of phytoplankton groups using satellite data, with few limitations regarding the global generalization of the method. Furthermore, this new satellitebased methodology allows a valuable global intercomparison with the pigment-based approach used in in-situ and satellite data to identify phytoplankton groups. Nevertheless, these datasets show different, yet coherent information on the phytoplankton, valuable for the understanding of community structure. This makes remote sensing observations excellent tools to collect Essential Biodiversity Variables and provide a foundation for developing marine biodiversity forecasts. [ABSTRACT FROM AUTHOR]

The particle size distribution (PSD) of suspended particles in near-surface seawater is a key property linking biogeochemical and ecosystem characteristics with optical properties that affect ocean color remote sensing. Phytoplankton size affects their physiological characteristics and ecosystem and biogeochemical roles, e.g. in the biological carbon pump, which has an important role in the global carbon cycle and thus climate. It is thus important to develop capabilities for measurement and predictive understanding of the structure and function of oceanic ecosystems, including the PSD, phytoplankton size classes (PSCs) and phytoplankton functional types (PFTs). Here, we present an ocean color satellite algorithm for the retrieval of the parameters of an assumed power-law PSD. The forward optical model considers two distinct particle populations (particle assemblage categories) -- phytoplankton and non-algal particles (NAP). Phytoplankton are modeled as coated spheres following the Equivalent Algal Populations (EAP) framework, and NAP are modeled as homogeneous spheres. The forward model uses Mie and Aden-Kerker scattering computations, for homogeneous and coated spheres (for phytoplankton and NAP, respectively) to model the total particulate spectral backscattering coefficient as the sum of phytoplankton and NAP backscattering. The PSD retrieval is achieved via Spectral Angle Mapping (SAM) which uses backscattering end-members created by the forward model. The PSD is used to retrieve size-partitioned absolute and fractional phytoplankton carbon concentrations (i.e. carbon-based PSCs), as well as particulate organic carbon (POC), using allometric coefficients. The EAP-based formulation allows for the estimation of chlorophyll-a concentration via the retrieved PSD, as well as the estimation of the percent of backscattering due to NAP vs. phytoplankton. The PSD algorithm is operationally applied to the merged Ocean Colour Climate Change Initiative (OC-CCI) v5.0 ocean color data set. Results of an initial validation effort are also presented, using PSD, POC, and pico-phytoplankton carbon in-situ measurements. Validation results indicate the need for an empirical tuning for the absolute phytoplankton carbon concentrations; however these results and comparison with other phytoplankton carbon algorithms are ambiguous as to the need for the tuning. The latter finding illustrates the continued need for high-quality, consistent, large global data sets of phytoplankton carbon and related variables to facilitate future algorithm improvements. [ABSTRACT FROM AUTHOR]