An Innovative Satellite SO 2 and HCHO Retrieval Algorithm based on Principal Component Analysis: Contribution to the Sentinel-5P Mission

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An Innovative Satellite SO 2 and HCHO Retrieval Algorithm based on Principal Component Analysis: Contribution to the Sentinel-5P Mission Nickolay Krotkov 1, Can Li 1, 2, Joanna Joiner 1, Vitali Fioletov 3, Chris McLinden 3, Pepijn Veefkind 4 ; Nicolas Theys 5, Isabelle De Smedt 5 1 NASA GSFC, 2 ESSIC, University of Maryland, 3 Environment Canada, 4 KNMI, de Built, The Netherlands; 5 BIRA-IASB, Brussel ATOMOS 2015 Conference Air quality session University of Crete, Heraklion, Greece, 8-12 June 2015 Email: Nickolay.A.Krotkov@nasa.gov

Outline Introduction to the NASA GSFC PCA algorithm Application to OMI SO 2 retrievals New Development Application to HCHO retrievals Contribution to the Sentinel-5P Mission

Methodology (Framework): PCA Instead of explicit modeling of ozone, RRS, and other instrumental features, we use a data-driven approach based on principal component analysis (PCA) with spectral fitting Measured N- value spectrum SO 2 column amount PCs from SO 2 -free regions, (O 3 absorption, surface reflectance, RRS, measurement artifacts etc.) other than SO 2 absorption Pre-calculated SO 2 Jacobians (assuming O 3 profiles, albedo, etc.) Fitting of the right hand side to the spectrum on the left hand side -> SO 2 column amount and coefficients of PCs (See Guanter et al., 2012; Joiner et al., 2013; Li et al., 2013)

Principle Components and Residuals Example PCs from entire row # 11, Orbit 10990 (Var.% 99.8492) PC #1: Mean spectrum (a-c) First few PCs Blue line: scaled reference Ring spectrum (d) Least squares fitting residuals for a pixel near Hawaii (Var.% 0.1264) (Var.% 0.0217) (Var.% 5.32E-5) (Var.% 4.79E-5) PC #2: O 3 absorption PC #3: Surface reflectance (also Ring signature) PCs #4 and #5: likely measurement artifacts, noise (>99.99% variance explained) Smaller residuals with SO 2 Jacobians fitted

The OMI PCA SO 2 Algorithm Became Operational on 09/18/2014, Data Released in October PCA (new operational) BRD (previous operational) SO 2 (DU) Both Retrievals assume the same simplified, fixed conditions in retrievals (SZA = 30, VZA=0, mid-latitude O 3 profile with O 3 = 325 DU, cloud-free, R = 0.05, SO 2 mostly in the lowest 1 km of the atmosphere)

August, 2006 Results: noise and artifact reduction OMI BRD Instantaneous FOV OMI BRD SO2 OMI PCA PCA algorithm reduces retrieval noise by a factor of two as compared with the BRD algorithm SO 2 Jacobians for PCA algorithm calculated with the same assumptions as in the BRD algorithm

OMI PCA Retrievals show Changes in SO 2 in Eastern Europe and Turkey SO 2 NO 2 Maritsa Power Station (Krotkov et al., ACP OMI special issue, in prep)

OMI PCA Retrievals show dramatic decrease in SO 2 point sources in Eastern US Ohio valley Power Plants: -80% (Krotkov et al., ACP OMI special issue, in prep)

OMI PCA Retrievals show decrease in SO 2 pollution in Eastern China Eastern North China: -50% (Krotkov et al., ACP OMI special issue, in prep)

OMI PCA Retrievals show dramatic increase in SO 2 pollution in North Eastern India Eastern North India: +200% (Krotkov et al., ACP OMI special issue, in prep)

Development: Table Lookup Approach for More Accurate Jacobians Past (BRD) Present (PCA, simple LUT) Future (PCA, Updated LUT) August, 2006 Use of lookup table to account for effects of viewing geometry, O 3, reflectivity, clouds, and vertical distribution on SO 2 Jacobians

Application to S-NPP OMPS HCHO Retrievals NASA/NOAA S-NPP Ozone Mapping and Profiler Suite (OMPS): Flying on NASA/NOAA Suomi National Polar-orbiting Partnership spacecraft Nadir mapper similar to OMI, but lower spectral (~1 nm) and spatial resolution (50 50 km 2 at nadir) HCHO NOT a required/anticipated product from OMPS OMI DOAS (BIRA) OMPS PCA (GSFC) Aug, 2013 Aug, 2013 Two independent retrievals show fairly consistent spatial patterns in HCHO. OMPS HCHO ~15-20% smaller than OMI, probably due to several instrumental and algorithmic factors (e.g., a priori profiles etc.). (Li et al., GRL, 2015)

OMI and OMPS PCA SO 2 Retrievals Daily Regional Air Quality and Transport Episodes OMI SO 2 Retrievals, May 01-04, 2005 SNPP/OMPS SO 2 Retrievals, May 01-04, 2013

Proposed contribution to the Sentinel-5P Mission During the pre-launch phase (2015- early 2016): continue the comparisons of our SO 2 and HCHO PCA retrievals with BIRA s retrievals using official TROPOMI algorithms as applied to OMI; During the commissioning phase (2016): apply PCA algorithms to selected subset of TROPOMI L1B spectra and compare with the ESA s provisional SO 2 and HCHO products; During the operational phase (2017-2021): apply PCA algorithm and oversampling techniques to selected subsets of TROPOMI L1B data (point/area sources) to produce SO 2 and HCHO time series that will overlap with OMI records to facilitate study of long-term emission trends and pollutant lifetime;