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Data Reprocessing

PACE Science Data Reprocessing Version 3

The initial public release of PACE science data products (Version 1) began on 11 April 2024, and provided the science and applications user community with access to the Level-1 data and a limited suite of derived products from the OCI, HARP2, and SPEXone instruments, with the caveat that the data were in a highly preliminary state and should be used with caution. Reprocessing Version 2 was the first full mission reprocessing, and primarily served to incorporate improved calibration knowledge from on-orbit measurements collected by the three PACE instruments. Reprocessing Version 3 includes a further refinement of the calibration for the three instruments, as well as various algorithm refinements, bug fixes, data format improvements, and expanded product suites.

Data Levels and Formats

As in previous versions, all data products are distributed in self-describing netCDF4 format and are available in the following data processing levels.

Level-1C and Level-2 data files are divided into 5-minute granules that start at the southern terminator crossing of the ascending daylight orbit and end at the northern terminator crossing. For OCI, and HARP2 the Level-1A and Level-1B data are also in 5-minute granules, while SPEXone is organized into continuous daylight orbit periods (~50 minutes).

Level-3 products are generally global daily, 8-day, or monthly composites that are distributed in multiple spatial resolutions, including 4.6km, 0.1-deg, and 1.0-deg maps (Level-3m). A single L3m file may contain one 2D mapped product, or one 3D cube (e.g., where the 3rd dimension is the spectral dimension), or multiple 2D and/or 3D mapped products. The mapped products are derived by reprojection of binned data (Level-3b), where the typical bin distribution is a quasi-equal-area 4.6km or 9.2km integerized sinusoidal grid.

The products available at this release are categorized into maturity levels as:

The notes that follow provide an overview of the changes introduced between Version 2 and Version 3, for the Level-1 products of each instrument as well as the derived science products currently available. For a comprehensive list of the science data products planned for PACE and the current status of those products and algorithms see the PACE Data Products Table.

PACE Level-1C Grid

Changes from Version 2:

OCI Level-1A/B/C Data (Provisional)

Changes from Version 2:
Known Issues and Data Characteristics:
  • Horizontal striping can occur for bands between 650nm and 900nm for scan angles from +3.9deg to +14.6deg (scan pixels 680 to 800). For open ocean scenes, the TOA signal usually varies less than 1%, but close to bright sources (such as a coastline) the striping over ocean can be several percent. The striping is usually too small to detect over land or clouds. The OCI calibration team has developed a correction approach, targeting an implementation for the V4 reprocessing. The most likely reason for the striping is spatial and spectral crosstalk impacting half-angle mirror side 2.
  • Data in the transition region between the red and blue focal planes, between 590 and 610nm, often shows significant discontinuity. Measurements in this range have much higher uncertainty and should not be used for science algorithms.
  • Some SWIR bands show significant signs of apparent band-to-band registration issues. Based on prelaunch measurements, bands 1038nm and 1250nm (Standard Gain), and 1615nm (Standard Gain) with large radiance gradients to neighboring pixels in scan direction are expected to be impacted the most.
  • The optical design of the OCI SWIR detector assembly (SDA) causes the bands to view different locations along-scan at a given time, and the data are packetized by time. The bands are pixel-shifted into alignment with the hyperspectral bands. This results in fill pixels at the start or end of the scan, depending on the required pixel shift. The worst case is the 2260 nm band that has 13 fill pixels at the start of the scan. This is a feature of the instrument design.
  • Data below 340nm has not been characterized prelaunch as completely and accurately as the data above 340nm. The data below 340nm is only released to facilitate assessment and potential refinement of radiometric accuracy and should not be considered as science quality.

HARP2 Level-1A/B/C Data (Provisional)

On-orbit calibration data has been collected during solar and lunar calibration exercises, and a refined calibration is included in the version 3 release.

Changes from Version 2:
Known issues:
  • none

SPEXone Level-1A/B/C Data (Provisional)

Changes from Version 2:
  • Fixed a geolocation bug which assigned wrong latitudes and longitudes to water bodies in high elevation regions.
  • Updated the algorithm for computing the Stokes Q and U and the rotation angle from the local meridian plane to the scattering plane. Whereas the degree of linear polarization was unaffected, there was ambiguity in the sign of Q and U and polarization reference planes used. In Version 3 Level-1C products, SPEXone and HARP2 use a common convention.
  • Level 1C products now contain more radiance and polarization data near the poles.
  • Updated bad pixel mask of the detector.
Known Issues:
  • Improvement of radiometric and polarimetric performance at the edges of the wavelength grid under investigation.

OCI Level-2 Products

A further expanded set of OCI Level-2 science data products is released at this time. As in previous versions, they are organized into product suites, with each suite in one file per granule. In some cases, the Level-2 products suites contain a mix of Provisional, Test, and Diagnostic products.

OC_AOP, Ocean Color Apparent Optical Properties

Provisional Products

  • Remote Sensing Reflectance (Rrs)
  • Rrs Uncertainties (Rrs_unc)
  • Apparent Visible Wavelength (avw)
  • Normalized Fluorescence Line Height (nflh)
    • Diagnostic Products

      • Aerosol Optical Thickness (aot)
      • Aerosol Angstrom Exponent (angstrom)
      Changes from Version 2.0:
      • The updated Level-1B instrument calibration was applied, and system vicarious calibration (SVC) gains have been derived and applied for the first time. The derived SVC gains for V3 are based on measurements from HyperNAV sites near Mo’rea and Hawaii.
      • While OCI was designed to minimize sensitivity to polarization state of the observed radiance, some small residual sensitivity still exists, and this was characterized prelaunch. A correction for this residual sensitivity was implemented for the first time in V3 of the ocean color processing. Note that the correction is discipline-specific, and implemented in Level-2 processing, as it requires modeling of the polarization state of the incoming light.
      • Significant improvement was made to the atmospheric gas transmittance algorithm and associated look-up table (LUT) that reduces residual error in the spectral vicinity of strong gas absorption features (H2O, O2, etc.).
      • When the OCI instrument tilt changes, near the subsolar point of the PACE orbit, the sensor passes through extreme glint conditions (direct specular reflection). This results in systematic artifacts in the Rrs retrievals due to error in the atmospheric correction. In V2, these cases were flagged as high glint but not masked. In V3, the most extreme glint conditions are masked, and no retrieval of Rrs is attempted.
      • The subsurface light field model used in the bidirectional reflectance (BRDF) algorithm was previously developed for MERIS, and was defined on the multispectral wavelengths of that sensor. For V3, the BRDF look-up table was regenerated for the hyperspectral wavelengths of OCI, including extension into the UV.
      • Rrs products in the 340-345nm and 590 to 610nm spectral range have been removed, due to artifacts associated with instrument performance in those spectral ranges.
      • Chlorophyll Fluorescence Line Height (nFLH) has been added to the AOP suite
      • AVW has been elevated to Provisional status.
      Known Issues:
      • Performance of Rrs retrieval in the UV (below 400nm) has not yet been meaningfully reviewed and is likely to contain significant biases and erroneous variability.
      • Corrections for absorbing gases have been significantly improved, but Rrs variability, especially in the red, is still likely to contain residual artifacts from water vapor and oxygen absorption. Imperfect correction for O2 b-band absorption near 680nm (and to lesser extent in the O2-O2 absorption regions) is evident in the Rrs retrievals. Further refinement of the algorithm and LUT is expected in a future release.
      • The current processing extends to higher view zenith angles than the heritage sensors. The atmospheric correction becomes increasingly difficult at these extreme geometries, and erroneously elevated reflectance has been observed in red wavelengths near scan edge. These data are flagged in Level-2 and masked in Level-3 (above 60-degrees).
      • Chlorophyll Fluorescence Line Height (nFLH) is displaying impacts of the erroneously elevated reflectances at the scan edge, and in extreme cases, is also impacted by the O2 b-band absorption artifacts in 680nm region. Further refinement of the product is dependent on the solution of those two issues.

      OC_IOP (Ocean Inherent Optical Properties)

      Provisional Products

      • Total absorption coefficient (a)
      • Total backscatter coefficient (bb)
      • Phytoplankton absorption coefficient (aph)
      • Phytoplankton absorption coefficient standard uncertainty (aph_unc)
      • Non-algal particle plus chromophoric dissolved organic matter absorption coefficient (adg)
      • Non-algal particle plus chromophoric dissolved organic matter absorption coefficient standard uncertainty (adg_unc)
      • Particle backscattering coefficient (bbp)
      • Particle backscattering coefficient standard uncertainty (bbp_unc)
      • Spectral diffuse attenuation coefficient (Kd)

      Diagnostic Products

      • Mean residual of model fit (rrsdiff)
      Changes from Version 2.0:
      • none
      Known Issues:
      • Products are derived from Rrs. See OC_AOP: Rrs known issues.
      • Some algorithm failure and artifacts noted in highly productive and near-shore waters. Future refinement will improve these missing data.

      OC_BGC (Ocean Biogeochmical Properties)

      Provisional Products

      • Phytoplankton Chlorophyll-a (chlor_a)
      • Phytoplankton Chlorophyll-a uncertainties (chlor_a_unc)
      • Phytoplankton Carbon (carbon_phyto)
      • Phytoplankton Carbon uncertainties (carbon_phyto_unc)
      • Particulate Organic Carbon (poc)
      Changes from Version 2.0:
      • All products now elevated to Provisional status
      Known Issues:
      • Products are derived from Rrs. See OC_AOP: Rrs known issues.
      • Phytoplankton carbon, derived from the bbp IOP product is displaying some across- swath patterns (ranging in several % of the value). Further refinement of this product is in progress and should be available in future releases.
      • Particulate Inorganic Carbon (pic) and poc_unc will be included in a future release.

      PAR (Photosynthetically Available Radiation)

      Provisional Products

      • Daily Mean PAR, Below-surface, Scalar (par_day_scalar_below)
      • Daily Mean PAR, Above-surface, Planar (par_day_planar_above)
      • Daily Mean PAR, Below-surface, Planar (par_day_planar_below)
      • Instantaneous PAR, Above-surface, Planar (ipar_planar_above)
      • Instantaneous PAR, Below-surface, Planar (ipar_planar_below)
      Changes from Version 2.0:
      • none
      Known Issues:
      • none

      CLDMASK (Cloud Mask)

      Provisional Products

      • Cloud Mask (cloud_flag)
      • Cloud and Cloud-adjacent Mask (cloud_flag_dilated)
      Changes from Version 2.0:
      • Bugs have been fixed dealing with the use of the MERRA2 snow and sea ice data sets, which previously led to blockiness around coastlines.

      CLD (Cloud Optical Properties and Cloud Altitude)

      Provisional Products

      • Cloud Top Pressure (ctp)
      • Cloud Top Temperature (ctt)
      • Cloud Top Height (cth)
      • Cloud Optical Thickness using O2 A-band (cth_cot)
      • Cloud Effective Radius using 2.2 µm band (cer_22)
      • Cloud Optical Thickness using 2.2 µm band (cot_22
      • Cloud Water Path using 2.2 µm band (cwp_22)
      • Cloud Effective Radius using 2.1µm band (cer_21)
      • Cloud Optical Thickness using 2.1µm band (cot_21)
      • Cloud Water Path using 2.1um band (cwp_21)
      • Cloud Effective Radius using 1.6 µm band (cer_16)
      • Cloud Optical Thickness using 1.6 µm band (cot_16)
      • Cloud Water Path using 1.6 µm band (cwp_16)
      • Cloud Phase using 2.1 µm band (cld_phase_21)
      • Cloud Phase using 2.2 µm band (cld_phase_22)
      • Cloud Phase using 1.6 µm band (cld_phase_16)
      Changes from Version 2.0:
      • We have expanded the cloud top product, including the COT retrieved from this algorithm (cth_cot). This algorithm (CHROMA) is independent from the CHIMAERA code used for cloud optical properties, so is a useful second estimate of COT. We have initially added a number of diagnostic retrieval outputs from the CHROMA algorithm including retrieved A-band surface albedo (cth_alb), uncertainty estimates on retrieved/derived quantities (cth_dalb, cth_dcot, cth_dcth, cth_dctp, cth_dctt), the phase retrieved by this algorithm (cth_phase), the number of iterations for convergence (cth_iter), and cost function indicating retrieval mismatch (cth_cost). Note, these diagnostic products are not provided in the L3 files.
      • The 16_21 variants of cloud optical properties retrievals are no-longer produced.
      • Bugs have been fixed dealing with the use of the MERRA2 snow and sea ice data sets, which previously led to blockiness around coastlines.

      SFREFL (Surface Reflectance)

      Provisional Products

      • Spectral Surface Reflectance (rhos)
      Changes from Version 2.0:
      • The rhos product reflects the updates to OCI instrument calibration, and also includes application of the SVC gains (see OC_AOP changes). Improved performance and reduced spectral variability in the UV range is expected.
      • Spectral sampling was significantly increased to include 122 spectral wavelengths between 345 nm to 2260 nm. Regions around the focal plane transition (590 – 610 nm) and in strong gas absorption regions (~690 nm and ~760 nm) have been excluded.
      Notes:
      • Surface reflectances are currently produced using the algorithm originally developed for SeaWiFS land products. This algorithm accounts for effects of atmospheric absorbing gases and molecular scattering, but does not consider aerosol scatter/absorption or bi-directional reflectance.
      Known Issues:
      • Contribution from aerosols is not removed.
      • Residual artifacts in the spectral vicinity of strong atmospheric gas absorption (e.g., water vapor and oxygen) is expected.
      • Data is cloud masked using the “Cloud and Cloud-Adjacent" CLDMASK product, which will mask extra pixels in the vicinity of clouds and bright targets.

      LANDVI (Land Surface Indices)

      Provisional Products

      • Enhanced Vegetation Index (evi)
      • Normalized Difference Vegetation Index (ndvi)
      • Normalized Difference Water Index (ndwi)
      • Normalized Difference Infrared Index (ndii)
      • Normalized Difference Snow Index (ndsi)
      • Chlorophyll-Carotenoid Index (cci)
      • Carotenoid Content Index (car)
      • Chlorophyll Index Red Edge (cire)
      • Photochemical Reflectance Index (pri)
      • Modified Anthocyanin Reflectance Index (mari)
      Notes:
      • Multi-band indices (NDVI, EVI, NDWI, NDII, CCI, NDSI) are calculated using aggregates of OCI spectral reflectances corresponding to relevant MODIS bandwidths.
      Changes from Version 2.0:
      • LANDVI suite (previously called LAND) has been elevated to Provisional status.
      Known Issues:
      • The NDSI algorithm does not currently incorporate a snow impossible mask.
      • Contribution from aerosols is not currently removed from surface reflectance data, which may cause residual artifacts in vegetation index calculations.
      • Data is cloud masked using the “Cloud and Cloud-Adjacent" product, which will mask extra pixels in the vicinity of clouds and bright targets.

      SPEXone Level-2 Products

      Changes from Version 2:
      • SPEXone Level-2 aerosol products from the RemoTAP algorithm are anticipated for V3. These notes will be updated when the first products are available.
      Known Issues:
      • none

      HARP2 Level-2 Products

      Changes from Version 2:
      • HARP2 Level-2 aerosol over ocean products from the FastMAPOL algorithm are anticipated for V3. These notes will be updated when the first products are available.
      • HARP2 Level-2 cloud products from the GCP algorithm are anticipated for V3. These notes will be updated when the first products are available.
      Known Issues:
      • none

      Level-3 Products

      OCI, SPEXone, and HARP2 Level-2 Provisional and Test products are composited into Level-3 binned and mapped products as described above.