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As part of the Pandonia Global Network (PGN), Pandora spectrometers are widely deployed around the world. These ground-based, remote-sensing instruments are federated such that they employ a common algorithm and data protocol for reporting on trace gas column densities and lower atmospheric profiles using two modes based on direct-sun and sky-scan observations. To aid users in the analysis of Pandora observations, the PGN standard quality assurance procedure assigns flags to the data indicating high, medium, and low quality. This work assesses the suitability of these data quality flags for filtering data in the scientific analysis of nitrogen dioxide (NO2) and formaldehyde (HCHO), two critical precursors controlling tropospheric ozone production. Pandora data flagged as high quality assures scientifically valid data and is often more abundant for direct-sun NO2 columns. For direct-sun HCHO and sky-scan observations of both molecules, large amounts of data flagged as low quality also appear to be valid. Upon closer inspection of the data, independent uncertainty is shown to be a better indicator of data quality than the standard quality flags. After applying an independent uncertainty filter, Pandora data flagged as medium or low quality in both modes can be demonstrated to be scientifically useful. Demonstrating the utility of this filtering method is enabled by correlating contemporaneous but independent direct-sun and sky-scan observations. When evaluated across 15 Pandora sites in North America, this new filtering method increased the availability of scientifically useful data by as much as 90 % above that tagged as high quality. A method is also developed for combining the direct-sun and sky-scan observations into a single dataset by accounting for biases between the two observing modes and differences in measurement integration times. This combined data provides a more continuous record useful for interpreting Pandora observations against other independent variables such as hourly observations of surface ozone. When Pandora HCHO columns are correlated with surface ozone measurements, data filtered by independent uncertainty exhibits similarly strong and more robust relationships than high-quality data alone. These results suggest that Pandora data users should carefully assess data across all quality flags and consider their potential for useful application to scientific analysis. The present study provides a method for maximizing use of Pandora data with expectation of more robust satellite validation and comparisons with ground-based observations in support of air quality studies. [ABSTRACT FROM AUTHOR]

Nitrogen dioxide (NO2) is a precursor of ozone (O3) and fine particulate matter (PM2.5) – two pollutants that are above regulatory guidelines in many cities. Bringing urban areas into compliance of these regulatory standards motivates an understanding of the distribution and sources of NO2 through observations and simulations. The TRACER-AQ campaign, conducted in Houston, TX in September 2021, provided a unique opportunity to compare observed NO2 columns from ground-, airborne-, and satellite-based spectrometers. In this study, we investigate how these observational datasets compare, and simulate column NO2 using WRF-CAMx with fine resolution (444 x 444 m2) comparable to the airborne column measurements. We find that observations from the GEOCAPE Airborne Simulator (GCAS) instrument were strongly correlated (r2=0.80) to observations from Pandora spectrometers with a negligible bias (NMB=0.1 %). Remote-sensing observations from the TROPOMI instrument were generally well correlated with Pandora observations (r2=0.73) with a negative bias (NMB=-22.8 %). We intercompare different versions of TROPOMI data and find similar correlations across three versions but slightly different biases (from -22.8 % in v2.4.0 to -18.2 % in the NASA MINDS product). Compared to Pandora observations, the WRF-CAMx simulation had reduced correlation (r2=0.34) and a low bias (-25.5 %) over the entire study region. We find particularly poor agreement between simulated NO2 columns and GCAS-observed NO2 columns in downtown Houston an area of high population and roadway densities. These findings point to a potential underestimate of vehicle NOX emissions in the WRF-CAMx simulation driven by the Texas state inventory; and further investigation is recommended. [ABSTRACT FROM AUTHOR]

Sub-grid variability (SGV) in atmospheric trace gases within satellite pixels is a key issue in satellite design and interpretation and validation of retrieval products. However, characterizing this variability is challenging due to the lack of independent high-resolution measurements. Here we use tropospheric NO2 vertical column (VC) measurements from the Geostationary Trace gas and Aerosol Sensor Optimization (GeoTASO) airborne instrument with a spatial resolution of about 250m×250m to quantify the normalized SGV (i.e., the standard deviation of the sub-grid GeoTASO values within the sampled satellite pixel divided by the mean of the sub-grid GeoTASO values within the same satellite pixel) for different hypothetical satellite pixel sizes over urban regions. We use the GeoTASO measurements over the Seoul Metropolitan Area (SMA) and Busan region of South Korea during the 2016 KORUS-AQ field campaign and over the Los Angeles Basin, USA, during the 2017 Student Airborne Research Program (SARP) field campaign. We find that the normalized SGV of NO2 VC increases with increasing satellite pixel sizes (from ∼10 % for 0.5km×0.5km pixel size to ∼35 % for 25km×25km pixel size), and this relationship holds for the three study regions, which are also within the domains of upcoming geostationary satellite air quality missions. We also quantify the temporal variability in the retrieved NO2 VC within the same hypothetical satellite pixels (represented by the difference of retrieved values at two or more different times in a day). For a given satellite pixel size, the temporal variability within the same satellite pixels increases with the sampling time difference over the SMA. For a given small (e.g., ≤4 h) sampling time difference within the same satellite pixels, the temporal variability in the retrieved NO2 VC increases with the increasing spatial resolution over the SMA, Busan region, and the Los Angeles Basin. The results of this study have implications for future satellite design and retrieval interpretation and validation when comparing pixel data with local observations. In addition, the analyses presented in this study are equally applicable in model evaluation when comparing model grid values to local observations. Results from the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) model indicate that the normalized satellite SGV of tropospheric NO2 VC calculated in this study could serve as an upper bound to the satellite SGV of other species (e.g., CO and SO2) that share common source(s) with NO2 but have relatively longer lifetime. [ABSTRACT FROM AUTHOR]

Sub-grid variability (SGV) of atmospheric trace gases within satellite pixels is a key issue in satellite design, and interpretation and validation of retrieval products. However, characterizing this variability is challenging due to the lack of independent high-resolution measurements. Here we use tropospheric NO2 vertical column (VC) measurements from the Geostationary Trace gas and Aerosol Sensor Optimization (GeoTASO) airborne instrument with a spatial resolution of about 250 m 250 m to quantify the normalized SGV (i.e., the standard deviation of the sub-grid GeoTASO values within the sampled satellite pixel divided by their mean of the sub-grid GeoTASO values within the sampled satellite pixel) for different satellite pixel sizes. We use the GeoTASO measurements over the Seoul Metropolitan Area (SMA) and Busan region of South Korea during the 2016 KORUS‐AQ field campaign, and over the Los Angeles Basin, USA during the 2017 SARP field campaign. We find that the normalized SGV of NO2 VC increases with increasing satellite pixel sizes (from ~10 % for 0.5 km × 0.5 km pixel size to ~35 % for 25 km × 25 km pixel size), and this relationship holds for the three study regions, which are also within the domains of upcoming geostationary satellite air quality missions. We also quantify the temporal variability of the retrieved NO2 VC within the same satellite pixels (represented by the difference of retrieved values at two different times of a day). For a given satellite pixel size, the temporal variability within the same satellite pixels increases with the sampling time difference over SMA. For a given small (e.g., <= 4 hours) sampling time difference within the same satellite pixels, the temporal variability of the retrieved NO2 VC increases with the increasing spatial resolution over the SMA, Busan region, and the Los Angeles basin. The results of this study have implications for future satellite design and retrieval interpretation, and validation when comparing pixel data with local observations. In addition, the analyses presented in this study are equally applicable in model evaluation when comparing model grid values to local observations. Results from the Weather Research and Forecasting model coupled with Chemistry (WRF-Chem) model indicate that the normalized satellite SGV of tropospheric NO2 VC calculated in this study could serve as an upper bound to the satellite SGV of other species (e.g., CO and SO2) that share common source(s) with NO2 but have relatively longer lifetime. [ABSTRACT FROM AUTHOR]

Airborne and ground-based Pandora spectrometer NO 2 column measurements were collected during the 2018 Long Island Sound Tropospheric Ozone Study (LISTOS) in the New York City/Long Island Sound region, which coincided with early observations from the Sentinel-5P TROPOspheric Monitoring Instrument (TROPOMI) instrument. Both airborne- and ground-based measurements are used to evaluate the TROPOMI NO 2 Tropospheric Vertical Column (TrVC) product v1.2 in this region, which has high spatial and temporal heterogeneity in NO 2. First, airborne and Pandora TrVCs are compared to evaluate the uncertainty of the airborne TrVC and establish the spatial representativeness of the Pandora observations. The 171 coincidences between Pandora and airborne TrVCs are found to be highly correlated (r2= 0.92 and slope of 1.03), with the largest individual differences being associated with high temporal and/or spatial variability. These reference measurements (Pandora and airborne) are complementary with respect to temporal coverage and spatial representativity. Pandora spectrometers can provide continuous long-term measurements but may lack areal representativity when operated in direct-sun mode. Airborne spectrometers are typically only deployed for short periods of time, but their observations are more spatially representative of the satellite measurements with the added capability of retrieving at subpixel resolutions of 250 m × 250 m over the entire TROPOMI pixels they overfly. Thus, airborne data are more correlated with TROPOMI measurements (r2=0.96) than Pandora measurements are with TROPOMI (r2=0.84). The largest outliers between TROPOMI and the reference measurements appear to stem from too spatially coarse a priori surface reflectivity (0.5 ∘) over bright urban scenes. In this work, this results during cloud-free scenes that, at times, are affected by errors in the TROPOMI cloud pressure retrieval impacting the calculation of tropospheric air mass factors. This factor causes a high bias in TROPOMI TrVCs of 4 %–11 %. Excluding these cloud-impacted points, TROPOMI has an overall low bias of 19 %–33 % during the LISTOS timeframe of June–September 2018. Part of this low bias is caused by coarse a priori profile input from the TM5-MP model; replacing these profiles with those from a 12 km North American Model–Community Multiscale Air Quality (NAMCMAQ) analysis results in a 12 %–14 % increase in the TrVCs. Even with this improvement, the TROPOMI-NAMCMAQ TrVCs have a 7 %–19 % low bias, indicating needed improvement in a priori assumptions in the air mass factor calculation. Future work should explore additional impacts of a priori inputs to further assess the remaining low biases in TROPOMI using these datasets. [ABSTRACT FROM AUTHOR]

Abundant NO[sub 2] column measurements from airborne and ground-based Pandora spectrometers were collected as part of the 2018 Long Island Sound Tropospheric Ozone Study (LISTOS) in the New York City/Long Island Sound region and coincided with early measurements from the Sentinel-5P TROPOMI instrument. Both airborne- and ground-based measurements are used to evaluate the TROPOspheric Monitoring Instrument (TROPOMI) NO[sub 2] Tropospheric Vertical Column (TrVC) product v1.2 in this region, which has high spatial and temporal heterogeneity in NO[sub 2]. First, airborne and Pandora TrVCs are compared to evaluate the uncertainty of the airborne TrVC and establish the spatial representativeness of the Pandora observations. The 171 coincidences between Pandora and airborne TrVCs are found to be highly correlated (r[sup 2]=0.92 and slope of 1.03) with the biggest individual differences being associated with high temporal and/or spatial variability. These reference measurements (Pandora and airborne) are complementary with respect to temporal coverage and spatial representivity. Pandora spectrometers can provide continuous long-term measurements but may lack areal representivity when operated in direct-sun mode. Airborne spectrometers are typically only deployed for short periods of time, but their observations are more spatially representative of the satellite measurements with the added capability of retrieving at subpixel resolutions of 250 m × 250 m over the entire TROPOMI pixels they overfly. Thus, airborne data are more correlated with TROPOMI measurements (r[sup 2]=0.96) than Pandora measurements are with TROPOMI (r[sup 2]=0.84). The largest outliers between TROPOMI and the reference measurements are caused by errors in the TROPOMI retrieval of cloud pressure impacting the calculation of tropospheric air mass factors in cloud-free scenes. This factor causes a high bias in TROPOMI TrVCs of 4-11 %. Excluding these cloud-impacted points, TROPOMI has an overall low bias of 19-33% during the LISTOS timeframe of June-September 2018. Part of this low bias is caused by coarse a priori profile input from TM5-MP model; replacing these profiles with those from a 12 km NAMCMAQ analysis results in a 12-14 % increase in the TrVCs. Even with this improvement, the TROPOMI-NAMCMAQ TrVCs have a 7-19 % low bias, indicating needed improvement in a priori assumptions in the air mass factor calculation. Future work should explore additional impacts of a priori inputs to further assess the remaining low biases in TROPOMI using these datasets. [ABSTRACT FROM AUTHOR]

NASA deployed the GeoTASO airborne UV–visible spectrometer in May–June 2017 to produce high-resolution (approximately 250m×250m) gapless NO2 datasets over the western shore of Lake Michigan and over the Los Angeles Basin. The results collected show that the airborne tropospheric vertical column retrievals compare well with ground-based Pandora spectrometer column NO2 observations (r2=0.91 and slope of 1.03). Apparent disagreements between the two measurements can be sensitive to the coincidence criteria and are often associated with large local variability, including rapid temporal changes and spatial heterogeneity that may be observed differently by the sunward-viewing Pandora observations. The gapless mapping strategy executed during the 2017 GeoTASO flights provides data suitable for averaging to coarser areal resolutions to simulate satellite retrievals. As simulated satellite pixel area increases to values typical of TEMPO (Tropospheric Emissions: Monitoring Pollution), TROPOMI (TROPOspheric Monitoring Instrument), and OMI (Ozone Monitoring Instrument), the agreement with Pandora measurements degraded, particularly for the most polluted columns as localized large pollution enhancements observed by Pandora and GeoTASO are spatially averaged with nearby less-polluted locations within the larger area representative of the satellite spatial resolutions (aircraft-to-Pandora slope: TEMPO scale =0.88 ; TROPOMI scale =0.77 ; OMI scale =0.57). In these two regions, Pandora and TEMPO or TROPOMI have the potential to compare well at least up to pollution scales of 30×1015 molecules cm -2. Two publicly available OMI tropospheric NO2 retrievals are found to be biased low with respect to these Pandora observations. However, the agreement improves when higher-resolution a priori inputs are used for the tropospheric air mass factor calculation (NASA V3 standard product slope =0.18 and Berkeley High Resolution product slope =0.30). Overall, this work explores best practices for satellite validation strategies with Pandora direct-sun observations by showing the sensitivity to product spatial resolution and demonstrating how the high-spatial-resolution NO2 data retrieved from airborne spectrometers, such as GeoTASO, can be used with high-temporal-resolution ground-based column observations to evaluate the influence of spatial heterogeneity on validation results. [ABSTRACT FROM AUTHOR]

NASA deployed an airborne UV/Visible spectrometer, GeoTASO, in May-June 2017 to produce high resolution (approximately 250 x 250 m), gapless NO2 datasets over the western shore of Lake Michigan and over the Los Angeles Basin. Results show that the airborne tropospheric vertical column retrievals compare well with ground-based Pandora spectrometer column NO2 observations (r² = 0.91 and slope of 1.03). Apparent disagreements between the two measurements can be sensitive to the coincidence criteria and are often associated with large local variability, including rapid temporal changes and also spatial heterogeneity that may be observed differently by the sunward viewing Pandora observations. The gapless mapping strategy executed during the 2017 GeoTASO flights provides data suitable for averaging to coarser areal resolutions to simulate satellite retrievals. As simulated satellite pixel area increases to values typical of TEMPO, TROPOMI, and OMI, the agreement with Pandora measurements is degraded as localized polluted plumes observed by Pandora are spatially averaged over larger areas (aircraft-to-Pandora slope: TEMPO scale = 0.88; TROPOMI scale = 0.77; OMI scale = 0.57). This behavior suggests that satellite products are representative of individual Pandora observations up to a certain pollution scale that depends on satellite spatial resolution. In these two regions, Pandora and TEMPO or TROPOMI have the potential to compare well up to pollution scales of 30 x 1015 molecules cm-2. Two publicly available OMI tropospheric NO2 retrievals are both found to be biased low with respect to Pandora observations (NASA V3 Standard Product slope = 0.18 and Berkeley High Resolution Product slope = 0.30). However, the agreement improves when higher resolution a priori inputs are used for the tropospheric air mass factor calculation. Overall, this work explores best practices for satellite validation strategies by showing the sensitivity to product spatial resolution and demonstrates how the high spatial resolution NO2 data retrieved from airborne spectrometers, such as GeoTASO, can be used with high temporal resolution surface observations to evaluate the influence of spatial heterogeneity on validation results. [ABSTRACT FROM AUTHOR]

The GEOstationary Coastal and Air Pollution Events (GEO-CAPE) Airborne Simulator (GCAS) was developed in support of NASA's decadal survey GEO-CAPE geostationary satellite mission. GCAS is an airborne push-broom remote-sensing instrument, consisting of two channels which make hyperspectral measurements in the ultraviolet/visible (optimized for air quality observations) and the visible–near infrared (optimized for ocean color observations). The GCAS instrument participated in its first intensive field campaign during the Deriving Information on Surface Conditions from Column and Vertically Resolved Observations Relevant to Air Quality (DISCOVER-AQ) campaign in Texas in September 2013. During this campaign, the instrument flew on a King Air B-200 aircraft during 21 flights on 11 days to make air quality observations over Houston, Texas. We present GCAS trace gas retrievals of nitrogen dioxide (NO2) and formaldehyde (CH2O), and compare these results with trace gas columns derived from coincident in situ profile measurements of NO2 and CH2O made by instruments on a P-3B aircraft, and with NO2 observations from ground-based Pandora spectrometers operating in direct-sun and scattered light modes. GCAS tropospheric column measurements correlate well spatially and temporally with columns estimated from the P-3B measurements for both NO2 (r2=0.89) and CH2O (r2=0.54) and with Pandora direct-sun (r2=0.85) and scattered light (r2=0.94) observed NO2 columns. Coincident GCAS columns agree in magnitude with NO2 and CH2O P-3B-observed columns to within 10 % but are larger than scattered light Pandora tropospheric NO2 columns by 33 % and direct-sun Pandora NO2 columns by 50 %. [ABSTRACT FROM AUTHOR]

Using satellites to track indicators of global air pollution and climate change impacts: lessons learned from a NASA-supported science-stakeholder collaborative. Likewise, they can foster multidisciplinary collaborations through the NASA Health and Air Quality Applied Sciences Team (HAQAST)4 or the Group on Earth Observations Health Community of Practice (http://www.geohealthcop.org/) to leverage expertise within the Earth and health science communities. Wee et al. describe concrete examples where medical trainees can learn basic data science concepts through combined lectures, hands-on tutorials and mentorship.1 As health and air quality researchers, we understand the need for increased focus on environmental stressors related to human and animal health. [Extracted from the article]