Phytoplankton community composition in the ocean is complex and highly variable over a wide range of space and time scales. Able to cover these scales, remote‐sensing reflectance spectra can be measured both by satellite and by in situ radiometers. The spectral shape of reflectance in the open ocean is influenced by the particles in the water, mainly phytoplankton and covarying nonalgal particles. We investigate the utility of in situ hyperspectral remote‐sensing reflectance measurements to detect phytoplankton pigments by using an inversion algorithm that defines phytoplankton pigment absorption as a sum of Gaussian functions. The inverted amplitudes of the Gaussian functions representing pigment absorption are compared to coincident High Performance Liquid Chromatography measurements of pigment concentration. We determined strong predictive capability for chlorophylls a, b, c₁+c₂, and the photoprotective carotenoids. We also tested the estimation of pigment concentrations from reflectance‐derived chlorophyll a using global relationships of covariation between chlorophyll a and the accessory pigments. We found similar errors in pigment estimation based on the relationships of covariation versus the inversion algorithm. An investigation of spectral residuals in reflectance data after removal of chlorophyll‐based average absorption spectra showed no strong relationship between spectral residuals and pigments. Ultimately, we are able to estimate concentrations of three chlorophylls and the photoprotective carotenoid pigments, noting that further work is necessary to address the challenge of extracting information from hyperspectral reflectance beyond the information that can be determined from chlorophyll a and its covariation with other pigments.

Phytoplankton accessory pigments are commonly used to estimate phytoplankton size classes, particularly during development and validation of biogeochemical models and satellite ocean color‐based algorithms. The diagnostic pigment analysis (DPA) is based on bulk measurements of pigment concentrations and relies on assumptions regarding the presence of specific pigments in different phytoplankton taxonomic groups. Three size classes are defined by the DPA: picoplankton, nanoplankton, and microplankton. Until now, the DPA has not been evaluated against an independent approach that provides phytoplankton size calculated on a per‐cell basis. Automated quantitative cell imagery of microplankton and some nanoplankton, used in combination with conventional flow cytometry for enumeration of picoplankton and nanoplankton, provide a novel opportunity to perform an independent evaluation of the DPA. Here, we use a data set from the North Atlantic Ocean that encompasses all seasons and a wide range of chlorophyll concentrations (0.18–5.14 mg m⁻³). Results show that the DPA overestimates microplankton and picoplankton when compared to cytometry data, and subsequently underestimates the contribution of nanoplankton to total biomass. In contrast to the assumption made by the DPA that the microplankton size class is largely made up of diatoms and dinoflagellates, imaging‐in‐flow cytometry shows significant presence of diatoms and dinoflagellates in the nanoplankton size class. Additionally, chlorophyll bis commonly attributed solely to picoplankton by the DPA, but Chl b‐containing phytoplankton are observed with imaging in both nanoplankton and microplankton size classes. We suggest revisions to the DPA equations and application of uncertainties when calculating size classes from diagnostic pigments.

Light emerging from natural water bodies and measured by radiometers contains information about the local type and concentrations of phytoplankton, non-algal particles and colored dissolved organic matter in the underlying waters. An increase in spectral resolution in forthcoming satellite and airborne remote sensing missions is expected to lead to new or improved capabilities for characterizing aquatic ecosystems. Such upcoming missions include NASA's Plankton, Aerosol, Cloud, ocean Ecosystem (PACE) mission; the NASA Surface Biology and Geology designated observable mission; and NASA Airborne Visible/Infrared Imaging Spectrometer – Next Generation (AVIRIS-NG) airborne missions. In anticipation of these missions, we present an organized dataset of geographically diverse, quality-controlled, high spectral resolution inherent and apparent optical property (IOP–AOP) aquatic data. The data are intended to be of use to increase our understanding of aquatic optical properties, to develop aquatic remote sensing data product algorithms, and to perform calibration and validation activities for forthcoming aquatic-focused imaging spectrometry missions. The dataset is comprised of contributions from several investigators and investigating teams collected over a range of geographic areas and water types, including inland waters, estuaries, and oceans. Specific in situ measurements include remote-sensing reflectance, irradiance reflectance, and coefficients describing particulate absorption, particulate attenuation, non-algal particulate absorption, colored dissolved organic matter absorption, phytoplankton absorption, total absorption, total attenuation, particulate backscattering, and total backscattering. The dataset can be downloaded from https://doi.org/10.1594/PANGAEA.902230 (Casey et al., 2019).

Ocean color remote sensing is a challenging task over coastal waters due to the complex optical properties of aerosols and hydrosols. In order to conduct accurate atmospheric correction, we previously implemented a joint retrieval algorithm, hereafter referred to as the Multi-Angular Polarimetric Ocean coLor (MAPOL) algorithm, to obtain the aerosol and water-leaving signal simultaneously. The MAPOL algorithm has been validated with synthetic data generated by a vector radiative transfer model, and good retrieval performance has been demonstrated in terms of both aerosol and ocean water optical properties (Gao et al., 2018). In this work we applied the algorithm to airborne polarimetric measurements from the Research Scanning Polarimeter (RSP) over both open and coastal ocean waters acquired in two field campaigns: the Ship-Aircraft Bio-Optical Research (SABOR) in 2014 and the North Atlantic Aerosols and Marine Ecosystems Study (NAAMES) in 2015 and 2016. Two different yet related bio-optical models are designed for ocean water properties. One model aligns with traditional open ocean water bio-optical models that parameterize the ocean optical properties in terms of the concentration of chlorophyll a. The other is a generalized bio-optical model for coastal waters that includes seven free parameters to describe the absorption and scattering by phytoplankton, colored dissolved organic matter, and nonalgal particles. The retrieval errors of both aerosol optical depth and the water-leaving radiance are evaluated. Through the comparisons with ocean color data products from both in situ measurements and the Moderate Resolution Imaging Spectroradiometer (MODIS), and the aerosol product from both the High Spectral Resolution Lidar (HSRL) and the Aerosol Robotic Network (AERONET), the MAPOL algorithm demonstrates both flexibility and accuracy in retrieving aerosol and water-leaving radiance properties under various aerosol and ocean water conditions.

Phytoplankton in the ocean are extremely diverse. The abundance of various intracellular pigments are often used to study phytoplankton physiology and ecology, and identify and quantify different phytoplankton groups. In this study, phytoplankton absorption spectra ( $a_{ph}\left(\lambda \right)$ ) derived from underway flow-through AC-S measurements in the Fram Strait are combined with phytoplankton pigment measurements analyzed by high-performance liquid chromatography (HPLC) to evaluate the retrieval of various pigment concentrations at high spatial resolution. The performances of two approaches, Gaussian decomposition and the matrix inversion technique are investigated and compared. Our study is the first to apply the matrix inversion technique to underway spectrophotometry data. We find that Gaussian decomposition provides good estimates (median absolute percentage error, MPE 21–34%) of total chlorophyll-a (TChl-a), total chlorophyll-b (TChl-b), the combination of chlorophyll-c1 and -c2 (Chl-c1/2), photoprotective (PPC) and photosynthetic carotenoids (PSC). This method outperformed one of the matrix inversion algorithms, i.e., singular value decomposition combined with non-negative least squares (SVD-NNLS), in retrieving TChl-b, Chl-c1/2, PSC, and PPC. However, SVD-NNLS enables robust retrievals of specific carotenoids (MPE 37–65%), i.e., fucoxanthin, diadinoxanthin and 19 ${}^{\prime }$ -hexanoyloxyfucoxanthin, which is currently not accomplished by Gaussian decomposition. More robust predictions are obtained using the Gaussian decomposition method when the observed $a_{ph}\left(\lambda \right)$ is normalized by the package effect index at 675 nm. The latter is determined as a function of “packaged” $a_{ph}\left(675\right)$ and TChl-a concentration, which shows potential for improving pigment retrieval accuracy by the combined use of $a_{ph}\left(\lambda \right)$ and TChl-a concentration data. To generate robust estimation statistics for the matrix inversion technique, we combine leave-one-out cross-validation with data perturbations. We find that both approaches provide useful information on pigment distributions, and hence, phytoplankton community composition indicators, at a spatial resolution much finer than that can be achieved with discrete samples.

Phytoplankton play a major role on Earth, impacting the global distribution and cycles of carbon, oxygen, nitrogen, sulfur, and other elements, and structuring marine food webs. One fundamental trait of phytoplankton with direct biogeochemical implications is their size, as it governs metabolic and sinking rates as well as prey–predator interactions. Phytoplankton size spans approximately 3.5 orders of magnitude (when expressed as an equivalent spherical diameter), and thus measuring the full range in size distribution of phytoplankton is challenging and rarely attempted. Here, we constructed phytoplankton size spectra by merging state‐of‐the‐art cytometry and imaging cytometry measurements that were collected in the western North Atlantic Ocean, along a latitudinal gradient (36°N to 55°N) and during different phases of the annual cycle of phytoplankton. The derived spectra show a seasonal pattern that parallels changes in phytoplankton biomass, and do not always follow a commonly assumed power‐law model. Shifts in size spectra were more pronounced in the sub‐Arctic and temperate subregions, compared to the subtropical region of the study area. We evaluated the relationships between different size groups and environmental parameters to derive ecologically meaningful size groups. Finally, to simulate Ocean Color remote‐sensing algorithms of phytoplankton size, we compared temporal variations in descriptors of the size spectra (median particle size, phytoplankton size distribution exponent) with optical size proxies derived from light absorption and attenuation; good agreement was observed in the northern sections of the study area where temporal changes in community size structure were more pronounced.