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<article xmlns:xlink="http://www.w3.org/1999/xlink" xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:oasis="http://docs.oasis-open.org/ns/oasis-exchange/table" xml:lang="en" dtd-version="3.0"><?xmltex \makeatother\@nolinetrue\makeatletter?>
  <front>
    <journal-meta><journal-id journal-id-type="publisher">AMT</journal-id><journal-title-group>
    <journal-title>Atmospheric Measurement Techniques</journal-title>
    <abbrev-journal-title abbrev-type="publisher">AMT</abbrev-journal-title><abbrev-journal-title abbrev-type="nlm-ta">Atmos. Meas. Tech.</abbrev-journal-title>
  </journal-title-group><issn pub-type="epub">1867-8548</issn><publisher>
    <publisher-name>Copernicus Publications</publisher-name>
    <publisher-loc>Göttingen, Germany</publisher-loc>
  </publisher></journal-meta>
    <article-meta>
      <article-id pub-id-type="doi">10.5194/amt-11-409-2018</article-id><title-group><article-title>The operational cloud retrieval algorithms from TROPOMI<?xmltex \hack{\break}?> on board Sentinel-5
Precursor</article-title><alt-title>The operational cloud retrieval algorithms from TROPOMI</alt-title>
      </title-group><?xmltex \runningtitle{The operational cloud retrieval algorithms from TROPOMI}?><?xmltex \runningauthor{D.~G.~Loyola et al.}?>
      <contrib-group>
        <contrib contrib-type="author" corresp="yes" rid="aff1">
          <name><surname>Loyola</surname><given-names>Diego G.</given-names></name>
          <email>diego.loyola@dlr.de</email>
        <ext-link>https://orcid.org/0000-0002-8547-9350</ext-link></contrib>
        <contrib contrib-type="author" corresp="no" rid="aff1">
          <name><surname>Gimeno García</surname><given-names>Sebastián</given-names></name>
          
        </contrib>
        <contrib contrib-type="author" corresp="no" rid="aff1">
          <name><surname>Lutz</surname><given-names>Ronny</given-names></name>
          
        </contrib>
        <contrib contrib-type="author" corresp="no" rid="aff3 aff1">
          <name><surname>Argyrouli</surname><given-names>Athina</given-names></name>
          
        <ext-link>https://orcid.org/0000-0002-9504-9549</ext-link></contrib>
        <contrib contrib-type="author" corresp="no" rid="aff1">
          <name><surname>Romahn</surname><given-names>Fabian</given-names></name>
          
        </contrib>
        <contrib contrib-type="author" corresp="no" rid="aff2">
          <name><surname>Spurr</surname><given-names>Robert J. D.</given-names></name>
          
        </contrib>
        <contrib contrib-type="author" corresp="no" rid="aff1">
          <name><surname>Pedergnana</surname><given-names>Mattia</given-names></name>
          
        </contrib>
        <contrib contrib-type="author" corresp="no" rid="aff1">
          <name><surname>Doicu</surname><given-names>Adrian</given-names></name>
          
        </contrib>
        <contrib contrib-type="author" corresp="no" rid="aff1">
          <name><surname>Molina García</surname><given-names>Víctor</given-names></name>
          
        <ext-link>https://orcid.org/0000-0002-2564-5396</ext-link></contrib>
        <contrib contrib-type="author" corresp="no" rid="aff1">
          <name><surname>Schüssler</surname><given-names>Olena</given-names></name>
          
        </contrib>
        <aff id="aff1"><label>1</label><institution>German Aerospace Centre (DLR), Remote Sensing Technology Institute,
Oberpfaffenhofen, 82234 Wessling, Germany</institution>
        </aff>
        <aff id="aff2"><label>2</label><institution>RT Solutions, Inc., 9 Channing Street, Cambridge, MA 02138, USA</institution>
        </aff>
        <aff id="aff3"><label>3</label><institution>Technical University of Munich, TUM Department of Civil, Geo and
Environmental Engineering,<?xmltex \hack{\break}?> Chair of Remote Sensing Technology,
Munich,
Germany</institution>
        </aff>
      </contrib-group>
      <author-notes><corresp id="corr1">Diego G. Loyola (diego.loyola@dlr.de)</corresp></author-notes><pub-date><day>18</day><month>January</month><year>2018</year></pub-date>
      
      <volume>11</volume>
      <issue>1</issue>
      <fpage>409</fpage><lpage>427</lpage>
      <history>
        <date date-type="received"><day>24</day><month>April</month><year>2017</year></date>
           <date date-type="rev-request"><day>15</day><month>May</month><year>2017</year></date>
           <date date-type="rev-recd"><day>2</day><month>November</month><year>2017</year></date>
           <date date-type="accepted"><day>5</day><month>November</month><year>2017</year></date>
      </history>
      <permissions>
        <copyright-statement>Copyright: © 2018 Diego G. Loyola et al.</copyright-statement>
        <copyright-year>2018</copyright-year>
      <license license-type="open-access"><license-p>This work is licensed under the Creative Commons Attribution 3.0 Unported License. To view a copy of this licence, visit <ext-link ext-link-type="uri" xlink:href="https://creativecommons.org/licenses/by/3.0/">https://creativecommons.org/licenses/by/3.0/</ext-link></license-p></license></permissions><self-uri xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018.html">This article is available from https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018.html</self-uri><self-uri xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018.pdf">The full text article is available as a PDF file from https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018.pdf</self-uri>
      <abstract><title>Abstract</title>
    <p id="d1e180">This paper presents the operational cloud retrieval algorithms for
the TROPOspheric Monitoring Instrument (TROPOMI) on board the European Space
Agency Sentinel-5 Precursor (S5P) mission scheduled for launch in 2017.</p>
    <p id="d1e183">Two algorithms working in tandem are used for retrieving cloud properties:
OCRA (Optical Cloud Recognition Algorithm) and ROCINN (Retrieval of Cloud
Information using Neural Networks). OCRA retrieves the cloud fraction using
TROPOMI measurements in the ultraviolet (UV) and visible (VIS) spectral regions, and ROCINN retrieves the
cloud top height (pressure) and optical thickness (albedo) using TROPOMI
measurements in and around the oxygen <inline-formula><mml:math id="M1" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band in the near infrared (NIR).</p>
    <p id="d1e193">Cloud parameters from TROPOMI/S5P will be used not only for enhancing the
accuracy of trace gas retrievals but also for extending the satellite data
record of cloud information derived from oxygen <inline-formula><mml:math id="M2" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band measurements, a record
initiated with the Global Ozone Monitoring Experiment (GOME) on board the second European Remote-Sensing Satellite (ERS-2) over 20 years ago.</p>
    <p id="d1e203">The OCRA and ROCINN algorithms are integrated in the S5P operational
processor UPAS (Universal Processor for UV/VIS/NIR Atmospheric
Spectrometers), and we present here UPAS cloud results using the Ozone Monitoring Instrument (OMI) and GOME-2
measurements. In addition, we examine anticipated challenges for the
TROPOMI/S5P cloud retrieval algorithms, and we discuss the future validation
needs for OCRA and ROCINN.</p>
  </abstract>
    </article-meta>
  </front>
<body>
      

<sec id="Ch1.S1" sec-type="intro">
  <label>1</label><title>Introduction</title>
      <p id="d1e215">Clouds are an important component of the hydrological cycle and play a major
role in the Earth's climate system through their strong impact on radiation
processes. The interplay of sunlight with clouds imposes major challenges
for satellite remote sensing, in terms of both the spatial complexity of
real clouds and the dominance of multiple scattering in radiation transport.
The retrieval of trace gas products from the TROPOspheric Monitoring Instrument (TROPOMI) on board the European Space
Agency Sentinel-5 Precursor (S5P) mission will be strongly
affected by the presence of clouds.</p>
      <p id="d1e218">The physics behind the influence of cloud on trace gas retrieval is well
understood, and in general there are three different contributions (Liu et
al., 2004; Kokhanovsky and Rozanov, 2008; Stammes et al., 2008; Wagner et
al., 2008): (a) the albedo effect associated with the enhancement of
reflectivity for cloudy scenes compared to cloud-free sky scenes; (b) the
so-called shielding effect, by which that part of the trace gas column below
the cloud is hidden by the clouds themselves; and (c) the increase in
absorption within the cloud, related to intra-cloud multiple-scattering
enhancements of optical path lengths. The albedo and in-cloud absorption
effects increase the visibility of trace gases at and above the cloud top,
while the shielding effect (if not corrected for) normally results in an
underestimation of the trace gas column.</p>
      <p id="d1e221">Using radiative transfer (RT) modelling, several papers have quantified the
influence of cloud parameters on the<?pagebreak page410?> retrieval of trace gas columns (Liu et
al., 2004; Ahmad et al., 2004; Boersma et al., 2004; Van Roozendael et al.,
2006; Kokhanovsky et al., 2007; du Piesanie et al., 2013; Doicu et al.,
2014). These studies have shown that cloud fraction, cloud optical thickness
(albedo), and cloud top pressure (height) are the most important quantities
determining cloud correction of satellite trace gas retrievals.</p>
      <p id="d1e224">Use of the oxygen <inline-formula><mml:math id="M3" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band in the near infrared (NIR) generates complementary cloud
information (especially for low clouds), as compared to traditional thermal
infrared (TIR) sensors (as used in most meteorological satellites) that are
less sensitive to low clouds due to reduced thermal contrast. Recent studies
on the NIR–TIR comparison (Stengel et al., 2017) demonstrate that indeed a
critical improvement appears in the cloud top height retrieval when the
O<inline-formula><mml:math id="M4" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M5" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band is used. Lelli et al. (2016) found an underestimation of
roughly 0.6–1.0 km when retrieving low clouds only in the TIR.</p>
      <p id="d1e251">TROPOMI (Veefkind et al., 2012) has eight spectral bands covering the ultraviolet (UV),
visible (VIS), NIR, and short-wavelength IR (SWIR) spectral regions, and an unprecedented spatial resolution
of 7 <inline-formula><mml:math id="M6" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 3.5 km<inline-formula><mml:math id="M7" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:math></inline-formula> at nadir for bands 2–6, from which
measurements mostly of the trace gas, aerosol, and cloud properties will be
retrieved. Another band in the UV (band 1) has a resolution of
28 <inline-formula><mml:math id="M8" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 7 km<inline-formula><mml:math id="M9" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:math></inline-formula> at nadir, and bands 7–8 in the SWIR (where the
greenhouse gases are retrieved) have a spatial resolution of
7 <inline-formula><mml:math id="M10" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 7 km<inline-formula><mml:math id="M11" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:math></inline-formula> at nadir. TROPOMI will fly on board S5P in a
sun-synchronous polar orbit, providing a daily global coverage with a wide
swath of 2600 km and a local overpass time of 13:00 at the ascending node.
TROPOMI/S5P will be the first atmospheric composition mission of the European
Copernicus programme, and TROPOMI's 7-year lifetime will extend the unique
data record started more than 20 years ago with the Global Ozone Monitoring Experiment (GOME)
on board the second European Remote-Sensing Satellite (ERS-2),
Scanning Imaging Absorption Spectrometer for Atmospheric Cartography (SCIAMACHY)
on board Envisat, Ozone Monitoring Instrument (OMI) on board Aura, GOME-2 on board MetOp-A, and GOME-2 on board MetOp-B, which have
local overpass times of 10:30 (descending node), 10:00 (descending node),
13:30 (ascending node), 09:30 (descending node), and 08:45 (descending node)
respectively.</p>
      <p id="d1e303">This paper provides a detailed description of the operational TROPOMI/S5P
cloud retrieval algorithms. We start with a short overview in Sect. 2. In
Sects. 3 and 4, we present the Optical Cloud Recognition Algorithm (OCRA) for the cloud fraction
retrieval using TROPOMI measurements in the UV–VIS spectral regions and the
Retrieval of Cloud Information using Neural Networks (ROCINN) algorithm
for the retrieval of cloud top height (pressure) and optical
thickness (albedo) using TROPOMI measurements in and around the oxygen
<inline-formula><mml:math id="M12" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band in the NIR. The error budget of the OCRA and ROCINN retrievals is
described in Sect. 5, and results from application of the S5P algorithms to
OMI and GOME-2 measurements are presented in Sect. 6. In Sect. 7, we discuss
anticipated challenges for the TROPOMI/S5P cloud retrieval algorithms and
the future validation needs for OCRA and ROCINN.</p>
</sec>
<sec id="Ch1.S2">
  <label>2</label><title>Overview of the cloud retrieval algorithms</title>
      <p id="d1e321">The operational TROPOMI/S5P cloud properties are retrieved using two
algorithms working in tandem: OCRA and ROCINN.</p>
      <p id="d1e324">OCRA derives the cloud fraction from UV–VIS radiances by separating the
sensor measurements into two components: a cloud-free background and a
remainder expressing the influence of clouds. OCRA was first developed for
GOME/ERS-2 in the late 1990s using data from GOME's broadband PMDs
(polarisation measurement devices). OCRA has also been applied operationally
to SCIAMACHY and GOME-2. Initial cloud-free backgrounds for these sensors
were based on GOME data before dedicated measurements became available from
SCIAMACHY and GOME-2. In this paper we present the adaptation of OCRA to
TROPOMI/S5P using UV–VIS radiances themselves (instead of PMD measurements),
with an initial cloud-free background based on OMI data.</p>
      <p id="d1e327">ROCINN is based on the comparison of measured and simulated satellite
sun-normalised radiances in and near the O<inline-formula><mml:math id="M13" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M14" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band to retrieve cloud
height and cloud optical thickness. ROCINN uses the cloud fraction from OCRA
as an input. Two sets of TROPOMI/S5P cloud properties will be provided by
ROCINN: (a) cloud top height and cloud top albedo using the
“Clouds-as-Reflecting-Boundaries” (CRB) model, in which clouds are treated
as simple Lambertian surfaces, and (b) cloud top height and cloud optical
thickness using the more realistic “Clouds-As-Layers” (CAL) model, in which
clouds are treated as optically uniform layers of light-scattering particles
(water droplets).</p>
      <p id="d1e346">OCRA and ROCINN are being used for the operational retrieval of trace gases
from GOME (Van Roozendael et al., 2006) and GOME-2 (Loyola et al., 2011; Valks
et al., 2011; Hao et al., 2014). In a similar manner, OCRA and ROCINN
results will be used in the following operational TROPOMI/S5P trace gas
retrieval products: total ozone (Loyola et al., 2017), tropospheric ozone
(Heue et al., 2016), formaldehyde, and sulfur dioxide (Theys et al., 2017).</p>
      <p id="d1e350">In this paper we present for the first time the latest developments of the
ROCINN algorithm (incorporating both CAL and CRB models). CAL is the
preferred method for the relatively small TROPOMI/S5P ground pixels
(7 <inline-formula><mml:math id="M15" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 3.5 km<inline-formula><mml:math id="M16" display="inline"><mml:mrow><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>. The CRB approach works best with large pixels
(Kokhanovsky et al., 2007), such as those from GOME (footprint:
320 <inline-formula><mml:math id="M17" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 40 km<inline-formula><mml:math id="M18" display="inline"><mml:mrow><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>, where different types of clouds are combined,
and errors in the cloud model are usually self-compensating. Furthermore CAL
is more accurate than CRB for optically thin clouds (Rozanov and Kokhanovsky,
2004), and these kinds of clouds are the<?pagebreak page411?> most frequent on a global scale.
Previous studies using TOMS and GOME/SCIAMACHY measurements have demonstrated
that a plane-parallel scattering cloud model is superior to a Lambertian
reflectance cloud model for trace gas retrievals: Ahmad et al. (2004) and
Diedenhoven et al. (2007) respectively. Furthermore, errors on retrieved
NO<inline-formula><mml:math id="M19" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> columns can be significantly reduced using cloud parameters from
combined UV–VIS and NIR spectral regions (van Deelen et al., 2008) as obtained from
OCRA and ROCINN_CAL. More recent studies have shown that, for the smaller
GOME-2 pixels, CAL retrieval produces more reliable cloud information than
that from CRB (Sihler et al., 2015), not only with regard to the accuracy of
the cloud parameters themselves but also with respect to the effect of cloud
parameter uncertainties on total ozone accuracy (Loyola et al., 2017).</p>
      <p id="d1e400">It is important to note that a cloud model similar to CAL is being used for
the retrieval of aerosol properties from UV measurements (Torres et al.,
2011) in order to overcome the systematic biases induced by using a
Lambertian cloud model. Similarly, it was shown that a plane-parallel
scattering cloud model is more appropriate for the estimation of the surface
UV irradiance than is the case for a Lambertian reflector cloud model
(Krotkov et al., 2001), and this more realistic cloud scattering model will
be used for retrieving the UV irradiance from TROPOMI/S5P (Lindfors et al.,
2017).</p>
      <p id="d1e403">The following subsection gives a short summary of the heritage algorithms
used for retrieving cloud information from UV–VIS–NIR (UVN) spectrometers.</p>
<sec id="Ch1.S2.SS1">
  <label>2.1</label><title>Heritage algorithms</title>
      <p id="d1e413">Several cloud retrieval algorithms based on measurements in and around the
O<inline-formula><mml:math id="M20" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M21" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band at 760 nm have been developed for the GOME type of sensors:
these include the ICFA (Initial Cloud Fitting Algorithm; Kuze and Chance,
1994), FRESCO (Fast REtrieval Scheme for Clouds from the Oxygen <inline-formula><mml:math id="M22" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band;
Koelemeijer et al., 2001; Wang et al., 2008), SACURA (Semi-Analytical CloUd
Retrieval Algorithm; Rozanov and Kokhanovsky, 2004), UV/NIR (Diedenhoven et
al., 2007), and ROCINN algorithms. These are all based on the independent
pixel approximation (IPA), which is the assumption that the “radiative
properties of a single satellite “pixel” are considered in isolation from
neighbouring pixels” (definition of the American Meteorological Society).
The IPA allows for the application of one-dimensional plane-parallel
RT theory in the forward simulation of
cloud-contaminated atmospheric scenarios. This is further discussed in
Sect. 5.</p>
      <p id="d1e439">The ICFA algorithm was used in the initial GOME data processing to derive the
effective fractional cover. The FRESCO algorithm, also developed for GOME, is
based on the calculation of transmittances (later, single-scattering
radiances), and it retrieves effective cloud fraction and cloud top pressure,
assuming a fixed cloud albedo of 0.8. The SACURA algorithm was developed
initially for the SCIAMACHY instrument and then modified to handle also GOME
measurements (Lelli et al., 2012). SACURA uses semi-empirical formulae from
asymptotic radiative transfer theory to retrieve cloud optical thickness,
cloud top height, liquid water path and other parameters. The UV/NIR
algorithm uses information from 350 to 390 nm together with that from the O<inline-formula><mml:math id="M23" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M24" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band
to retrieve cloud fraction, cloud optical thickness, and cloud top pressure.
The ROCINN algorithm (Loyola et al., 2007) is currently being used in the
operational GOME and GOME-2 products, and it retrieves as primary quantities
the cloud top height and cloud albedo.</p>
      <p id="d1e458">The broadband polarisation measurements from GOME, SCIAMACHY, and GOME-2 are
used for computing cloud fraction; see for example OCRA (Loyola et al., 1998;
Lutz et al., 2016) and HICRU (Heidelberg Iterative Cloud Retrieval Utilities; Grzegorski et al., 2006). Enhancements to these
algorithms have been introduced in recent years – see for example the
detection of sun glint effects (Loyola et al., 2011; Lutz et al., 2016). For
these instruments, the PMDs enable the
cloud fraction to be retrieved at 8 times higher spatial resolution
(10 <inline-formula><mml:math id="M25" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 40 km<inline-formula><mml:math id="M26" display="inline"><mml:mrow><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> than that for the main science channels
(80 <inline-formula><mml:math id="M27" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 40 km<inline-formula><mml:math id="M28" display="inline"><mml:mrow><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> which are used for the retrieval of the trace
gases.</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F1"><?xmltex \currentcnt{1}?><label>Figure 1</label><caption><p id="d1e502">Flow diagram for the OCRA algorithm for the retrieval of the
radiometric cloud fraction (CFR).</p></caption>
          <?xmltex \igopts{width=241.848425pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f01.pdf"/>

        </fig>

      <p id="d1e511">There are three cloud-property algorithms in operational use for the OMI
instrument (OMI has no O<inline-formula><mml:math id="M29" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M30" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band measurements). The first (OMI/Aura Cloud Pressure and Fraction Raman Scattering, or OMCLDRR) uses
the cloud screening effect on Fraunhofer filling signatures (due to inelastic
rotational Raman scattering) in the region 346–354 nm to derive effective
cloud fraction and cloud optical centroid pressure (Joiner and Vasilkov,
2006; Vasilkov et al., 2008; Joiner et al., 2012). This algorithm is based on
the mixed Lambertian equivalent reflectivity (MLER) assumption. The second
algorithm (OMI/Aura Cloud Pressure and Fraction O<inline-formula><mml:math id="M31" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula>–O<inline-formula><mml:math id="M32" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> Absorption, or OMCLDO2) uses reflectances in and around the O<inline-formula><mml:math id="M33" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula>–O<inline-formula><mml:math id="M34" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula>
absorption band near 477 nm (Acarreta et al., 2004; Veefkind et al., 2016);
differential optical absorption spectroscopy (DOAS)-retrieved O<inline-formula><mml:math id="M35" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula>–O<inline-formula><mml:math id="M36" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> slant columns are compared with simulated
look-up table entries to obtain effective cloud fraction and cloud<?pagebreak page412?> pressure.
The third algorithm (OMI/Aura Near UV Aerosol Optical Depth and Single Scattering Albedo, or OMAERUV) derives aerosol optical depth and
single-scattering albedo (Torres et al., 2007) from radiances at 354 and 388 nm;
the cloud fraction is computed as an intermediate step.</p>
</sec>
</sec>
<sec id="Ch1.S3">
  <label>3</label><title>OCRA</title>
      <p id="d1e594">The OCRA cloud fraction determination is based on the comparison between
cloud-contaminated measurements and corresponding measurements for the
background (cloud-free) surface. A flow chart of the OCRA algorithm is given
in Fig. 1, and the algorithm steps are described in the following
subsections.</p>
      <p id="d1e597">A description of the OCRA algorithm and its application to GOME and GOME-2
data is given in Loyola (1998) and Lutz et al. (2016). For the TROPOMI/S5P
application, the new algorithm developments for OCRA are the adaptation to
work with two-colour radiances (green and blue: GB) using the UV–VIS spectra instead of the
three-colour PMD measurements (red, green, and blue: RGB) in the UV–VIS–NIR region. The reasons for
moving from RGB to GB are twofold: first, the TROPOMI UV–VIS and NIR
footprints are spatially misaligned, which means that the GB and R
colours do not see the exact same footprint, and any misalignment correction
would then act as an additional error source in OCRA (see Sect. 5.1). Second,
and more importantly, the OMI sensor, which is needed to provide the initial
cloud-free reflectance background maps, does not have channels in the red
part of the visible spectrum; thus, OMI cannot be used to define a third
colour, R. These two considerations dictate the need for a two-colour
approach.</p>
<sec id="Ch1.S3.SS1">
  <label>3.1</label><title>GB colour conversion</title>
      <p id="d1e607">The OCRA colour space approach can be applied with three colours (RGB
space) or two colours (GB space or RG space). For a given location
<inline-formula><mml:math id="M37" display="inline"><mml:mrow><mml:mo>(</mml:mo><mml:mi>x</mml:mi><mml:mo>,</mml:mo><mml:mi>y</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>, we define the reflectance <inline-formula><mml:math id="M38" display="inline"><mml:mrow><mml:mi mathvariant="italic">ρ</mml:mi><mml:mo>(</mml:mo><mml:mi>x</mml:mi><mml:mo>,</mml:mo><mml:mi>y</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> at wavelength range
<inline-formula><mml:math id="M39" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> for the footprint of the measurement as
            <disp-formula id="Ch1.E1" content-type="numbered"><label>1</label><mml:math id="M40" display="block"><mml:mrow><mml:mi mathvariant="italic">ρ</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:mi>x</mml:mi><mml:mo>,</mml:mo><mml:mi>y</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:mi mathvariant="italic">π</mml:mi><mml:mo>⋅</mml:mo><mml:mi>I</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced></mml:mrow><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mn mathvariant="normal">0</mml:mn></mml:msub><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>⋅</mml:mo><mml:mi>c</mml:mi><mml:mi>o</mml:mi><mml:mi>s</mml:mi><mml:msub><mml:mi mathvariant="italic">θ</mml:mi><mml:mn mathvariant="normal">0</mml:mn></mml:msub></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
          where <inline-formula><mml:math id="M41" display="inline"><mml:mrow><mml:mi>I</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M42" display="inline"><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mn mathvariant="normal">0</mml:mn></mml:msub><mml:mfenced close=")" open="("><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:math></inline-formula>
denote the measured earthshine backscattered radiance and the solar
irradiance respectively, and <inline-formula><mml:math id="M43" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">θ</mml:mi><mml:mn mathvariant="normal">0</mml:mn></mml:msub></mml:mrow></mml:math></inline-formula> is the solar zenith angle.</p>
      <p id="d1e776">The reflectances used in this algorithm are derived from broadband
measurements of backscattered radiance and extraterrestrial solar irradiance
covering the spectral range of the GB colour system. The OCRA spectral ranges
with TROPOMI/S5P are 405–495 nm for G and 350–395 nm for B.</p><?xmltex \hack{\newpage}?>
</sec>
<sec id="Ch1.S3.SS2">
  <label>3.2</label><title>OCRA cloud-free background</title>
      <p id="d1e788">The core of the algorithm is the construction of a cloud-free composite of
multi-temporal (time series of measurements over the same location)
reflectances that is independent of atmosphere and solar and viewing angles;
this is indicated as the “internal store” in the flowchart of Fig. 1. For
the <?xmltex \hack{\mbox\bgroup}?>offline<?xmltex \hack{\egroup}?> creation of cloud-free reflectance composites in the GB
case, the green and blue channel reflectances, which are denoted by the
letters G and B respectively, are translated into normalised <inline-formula><mml:math id="M44" display="inline"><mml:mrow><mml:mi>g</mml:mi><mml:mi>b</mml:mi></mml:mrow></mml:math></inline-formula> colour
space via the relations
            <disp-formula id="Ch1.E2" content-type="numbered"><label>2</label><mml:math id="M45" display="block"><mml:mrow><mml:mi>g</mml:mi><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:mi mathvariant="italic">ρ</mml:mi><mml:mo>(</mml:mo><mml:mi>x</mml:mi><mml:mo>,</mml:mo><mml:mi>y</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>G</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:msub><mml:mo>∑</mml:mo><mml:mrow><mml:mi>i</mml:mi><mml:mo>=</mml:mo><mml:mi>G</mml:mi><mml:mi>B</mml:mi></mml:mrow></mml:msub><mml:mi mathvariant="italic">ρ</mml:mi><mml:mo>(</mml:mo><mml:mi>x</mml:mi><mml:mo>,</mml:mo><mml:mi>y</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>,</mml:mo><mml:mspace width="0.125em" linebreak="nobreak"/><mml:mi>b</mml:mi><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:mi mathvariant="italic">ρ</mml:mi><mml:mo>(</mml:mo><mml:mi>x</mml:mi><mml:mo>,</mml:mo><mml:mi>y</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>B</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow><mml:mrow><mml:msub><mml:mo>∑</mml:mo><mml:mrow><mml:mi>i</mml:mi><mml:mo>=</mml:mo><mml:mi>G</mml:mi><mml:mi>B</mml:mi></mml:mrow></mml:msub><mml:mi mathvariant="italic">ρ</mml:mi><mml:mo>(</mml:mo><mml:mi>x</mml:mi><mml:mo>,</mml:mo><mml:mi>y</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>.</mml:mo></mml:mrow></mml:math></disp-formula>
          If <inline-formula><mml:math id="M46" display="inline"><mml:mi mathvariant="normal">M</mml:mi></mml:math></inline-formula> is the set of <inline-formula><mml:math id="M47" display="inline"><mml:mi>n</mml:mi></mml:math></inline-formula> normalised multi-temporal measurements over
the same location <inline-formula><mml:math id="M48" display="inline"><mml:mrow><mml:mo>(</mml:mo><mml:mi>x</mml:mi><mml:mi>y</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>, then a cloud-free (or minimum cloudiness) pixel
<inline-formula><mml:math id="M49" display="inline"><mml:mrow><mml:mi>g</mml:mi><mml:msub><mml:mi>b</mml:mi><mml:mi mathvariant="normal">CF</mml:mi></mml:msub><mml:mo>∈</mml:mo><mml:mi mathvariant="normal">M</mml:mi></mml:mrow></mml:math></inline-formula> is selected using the brightness criterion
<inline-formula><mml:math id="M50" display="inline"><mml:mrow><mml:mfenced open="∥" close="∥"><mml:mrow><mml:mi>g</mml:mi><mml:msub><mml:mi>b</mml:mi><mml:mi mathvariant="normal">CF</mml:mi></mml:msub><mml:mo>-</mml:mo><mml:mi>W</mml:mi></mml:mrow></mml:mfenced><mml:mo>≥</mml:mo><mml:mfenced close="∥" open="∥"><mml:mrow><mml:mi>g</mml:mi><mml:msub><mml:mi>b</mml:mi><mml:mi>k</mml:mi></mml:msub><mml:mo>-</mml:mo><mml:mi>W</mml:mi></mml:mrow></mml:mfenced></mml:mrow></mml:math></inline-formula>, for
<inline-formula><mml:math id="M51" display="inline"><mml:mrow><mml:mi>k</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">1</mml:mn><mml:mo>,</mml:mo><mml:mi mathvariant="normal">…</mml:mi><mml:mi>n</mml:mi></mml:mrow></mml:math></inline-formula>, where <inline-formula><mml:math id="M52" display="inline"><mml:mi>W</mml:mi></mml:math></inline-formula> is the <italic>white point</italic> (<inline-formula><mml:math id="M53" display="inline"><mml:mrow><mml:mn mathvariant="normal">1</mml:mn><mml:mo>/</mml:mo><mml:mn mathvariant="normal">2</mml:mn></mml:mrow></mml:math></inline-formula>, <inline-formula><mml:math id="M54" display="inline"><mml:mrow><mml:mn mathvariant="normal">1</mml:mn><mml:mo>/</mml:mo><mml:mn mathvariant="normal">2</mml:mn></mml:mrow></mml:math></inline-formula>) in the
<inline-formula><mml:math id="M55" display="inline"><mml:mrow><mml:mi>g</mml:mi><mml:mi>b</mml:mi></mml:mrow></mml:math></inline-formula>-chromaticity diagram. This point refers to a situation where B and G
are equal, i.e. where there is no wavelength dependence across the UV–VIS region –
this is interpreted as a scene fully covered by cloud. Measurements under
cloudy conditions are projected to the white point, and the measurement that
is most distant from <inline-formula><mml:math id="M56" display="inline"><mml:mi>W</mml:mi></mml:math></inline-formula> is considered to be cloud-free. A cloud-free
background, labelled “climatology” in Fig. 1, is constructed by merging
cloud-free reflectances <inline-formula><mml:math id="M57" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">ρ</mml:mi><mml:mi mathvariant="normal">CF</mml:mi></mml:msub><mml:mo>(</mml:mo><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> (corresponding to
<inline-formula><mml:math id="M58" display="inline"><mml:mrow><mml:mi>g</mml:mi><mml:msub><mml:mi>b</mml:mi><mml:mi mathvariant="normal">CF</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> at all locations. It should be noted here that the G
and B cloud-free reflectances for a given grid cell are not determined
independently as a minimum available reflectance over the whole monthly time
range, but rather they are the interdependent reflectances belonging to an
individual scene representing the largest distance from the white point in
the <inline-formula><mml:math id="M59" display="inline"><mml:mrow><mml:mi>g</mml:mi><mml:mi>b</mml:mi></mml:mrow></mml:math></inline-formula>-chromaticity diagram.</p>
      <p id="d1e1128">At the beginning of the TROPOMI/S5P mission, a monthly cloud-free background
data set based on OMI measurements will be used, to be replaced by TROPOMI
data as the mission unfolds.</p>
</sec>
<sec id="Ch1.S3.SS3">
  <label>3.3</label><title>Cloud fraction derivation</title>
      <p id="d1e1140">The radiometric cloud fraction <inline-formula><mml:math id="M60" display="inline"><mml:mrow><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> is determined by examining
separations between measured GB reflectances and their corresponding
cloud-free composite values:

                <disp-formula specific-use="align" content-type="numbered"><mml:math id="M61" display="block"><mml:mtable displaystyle="true"><mml:mtr><mml:mtd><mml:mstyle class="stylechange" displaystyle="true"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle class="stylechange" displaystyle="true"/><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>=</mml:mo></mml:mrow></mml:mtd></mml:mtr><mml:mlabeledtr id="Ch1.E3"><mml:mtd><mml:mtext>3</mml:mtext></mml:mtd><mml:mtd><mml:mstyle class="stylechange" displaystyle="true"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle class="stylechange" displaystyle="true"/><?xmltex \hack{\hbox\bgroup\fontsize{8.5}{8.5}\selectfont$\displaystyle}?><mml:mo movablelimits="false">min⁡</mml:mo><mml:mfenced open="{" close="}"><mml:mrow><mml:mn mathvariant="normal">1</mml:mn><mml:mo>,</mml:mo><mml:msqrt><mml:mrow><mml:msub><mml:mo>∑</mml:mo><mml:mrow><mml:mi>i</mml:mi><mml:mo>=</mml:mo><mml:mi>G</mml:mi><mml:mi>B</mml:mi></mml:mrow></mml:msub><mml:mi mathvariant="italic">α</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mi mathvariant="normal">max</mml:mi><mml:msup><mml:mfenced close="}" open="{"><mml:mrow><mml:mn mathvariant="normal">0</mml:mn><mml:mo>,</mml:mo><mml:mfenced open="[" close="]"><mml:mrow><mml:mi mathvariant="italic">ρ</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>-</mml:mo><mml:msub><mml:mi mathvariant="italic">ρ</mml:mi><mml:mi mathvariant="normal">CF</mml:mi></mml:msub><mml:mo>(</mml:mo><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub><mml:mo>)</mml:mo><mml:mo>-</mml:mo><mml:mi mathvariant="italic">β</mml:mi><mml:mfenced close=")" open="("><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:mfenced></mml:mrow></mml:mfenced><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:msqrt></mml:mrow></mml:mfenced><mml:mo>.</mml:mo><?xmltex \hack{$\egroup}?></mml:mrow></mml:mtd></mml:mlabeledtr></mml:mtable></mml:math></disp-formula>

            This equation expresses the distance between actual measurements and the
corresponding cloud-free scene in colour space. Scaling factors <inline-formula><mml:math id="M62" display="inline"><mml:mrow><mml:mi mathvariant="italic">α</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mo>=</mml:mo><mml:mi>G</mml:mi><mml:mi>B</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:math></inline-formula> define the upper limit for reflectances under
fully cloudy conditions, while offsets <inline-formula><mml:math id="M63" display="inline"><mml:mrow><mml:mi mathvariant="italic">β</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mo>=</mml:mo><mml:mi>G</mml:mi><mml:mi>B</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:math></inline-formula>
account for aerosol and other radiative effects in the atmosphere and as a
lower limit basically define the<?pagebreak page413?> cloud-free conditions. The “max” and
“min” functions ensure that the cloud fraction is confined to the interval
[0, 1].</p>
      <p id="d1e1310">The scaling and offset factors are determined offline using representative
daily global satellite measurements (Lutz et al., 2016). The offsets are the
histogram modes from the differences <inline-formula><mml:math id="M64" display="inline"><mml:mrow><mml:mo mathvariant="italic">{</mml:mo><mml:mi mathvariant="italic">ρ</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>-</mml:mo><mml:msub><mml:mi mathvariant="italic">ρ</mml:mi><mml:mi mathvariant="normal">CF</mml:mi></mml:msub><mml:mo>(</mml:mo><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub><mml:mo>)</mml:mo><mml:mo mathvariant="italic">}</mml:mo></mml:mrow></mml:math></inline-formula>, and the scaling factors are the inverses of the
99th percentile of the cumulative histograms from the differences <inline-formula><mml:math id="M65" display="inline"><mml:mrow><mml:mo mathvariant="italic">{</mml:mo><mml:mi mathvariant="italic">ρ</mml:mi><mml:mfenced close=")" open="("><mml:mrow><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>-</mml:mo><mml:msub><mml:mi mathvariant="italic">ρ</mml:mi><mml:mi mathvariant="normal">CF</mml:mi></mml:msub><mml:mo>(</mml:mo><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>i</mml:mi></mml:msub><mml:mo>)</mml:mo><mml:msup><mml:mo mathvariant="italic">}</mml:mo><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:math></inline-formula>. The
temporal variability of the offsets and scaling factors is investigated by
comparing several daily global histograms at different occasions throughout
the year. Since no significant seasonal dependence is apparent, only one set
of <inline-formula><mml:math id="M66" display="inline"><mml:mi mathvariant="italic">α</mml:mi></mml:math></inline-formula> and <inline-formula><mml:math id="M67" display="inline"><mml:mi mathvariant="italic">β</mml:mi></mml:math></inline-formula> per colour is used. It should be noted here that
the offsets may partially compensate for extremely dark scenes (e.g. shadows)
and radiative effects (e.g. absorbing aerosols), but a strict separation of
aerosols and clouds is not done by OCRA.</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F2"><?xmltex \currentcnt{2}?><label>Figure 2</label><caption><p id="d1e1402">Flow diagram for the ROCINN algorithm for retrieval of cloud
properties. The blue arrows mark an iterative loop.</p></caption>
          <?xmltex \igopts{width=241.848425pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f02.pdf"/>

        </fig>

</sec>
<sec id="Ch1.S3.SS4">
  <label>3.4</label><title>Sun glint flagging</title>
      <p id="d1e1419">Direct sunlight reflected by the ocean surface may reach the satellite
sensor, enhancing the measured signal in a manner which contaminates cloud
effects. Sun glint flagging was developed as a component of the operational
OCRA algorithm (Loyola, 2011) for GOME-2/MetOp-A, and this treatment was
further enhanced using the polarisation Stokes fractions (Lutz et al., 2016)
to correct for the sun glint effect. Since TROPOMI does not provide
polarisation information, a simplified sun glint flagging procedure will be
used instead of this correction. First, those areas that might be affected
by sun glint are marked using the viewing geometry conditions of the
measurement:
            <disp-formula id="Ch1.E4" content-type="numbered"><label>4</label><mml:math id="M68" display="block"><mml:mrow><mml:mi>v</mml:mi><mml:mo>=</mml:mo><mml:msqrt><mml:mrow><mml:msup><mml:mfenced open="(" close=")"><mml:mrow><mml:mo>|</mml:mo><mml:msub><mml:mi mathvariant="normal">Θ</mml:mi><mml:mi mathvariant="normal">o</mml:mi></mml:msub><mml:mo>-</mml:mo><mml:mi mathvariant="normal">Θ</mml:mi><mml:mo>|</mml:mo><mml:mo>-</mml:mo><mml:mn mathvariant="normal">2</mml:mn></mml:mrow></mml:mfenced><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>+</mml:mo><mml:msup><mml:mfenced open="(" close=")"><mml:mrow><mml:msub><mml:mi mathvariant="italic">φ</mml:mi><mml:mi mathvariant="normal">o</mml:mi></mml:msub><mml:mo>-</mml:mo><mml:mi mathvariant="italic">φ</mml:mi><mml:mo>-</mml:mo><mml:mn mathvariant="normal">180</mml:mn></mml:mrow></mml:mfenced><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:msqrt><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
          where <inline-formula><mml:math id="M69" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="normal">Θ</mml:mi><mml:mi mathvariant="normal">o</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M70" display="inline"><mml:mi mathvariant="normal">Θ</mml:mi></mml:math></inline-formula> are the solar and satellite
zenith angles respectively, and <inline-formula><mml:math id="M71" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">φ</mml:mi><mml:mi mathvariant="normal">o</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M72" display="inline"><mml:mi mathvariant="italic">φ</mml:mi></mml:math></inline-formula> the solar and
satellite azimuth angles (values are given in degrees). A sun glint flag is
set whenever the value of “marker” <inline-formula><mml:math id="M73" display="inline"><mml:mi>v</mml:mi></mml:math></inline-formula> is larger than a given threshold. This
threshold value will be determined dynamically when real TROPOMI data become
available; for now, the OMI threshold value of 45 will be used initially.</p>
</sec>
</sec>
<sec id="Ch1.S4">
  <label>4</label><title>ROCINN</title>
      <p id="d1e1531">ROCINN is based on the comparison of measured and simulated radiances in and
near the O<inline-formula><mml:math id="M74" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M75" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band for retrieving the cloud optical thickness, cloud
height and albedo. A flow chart of the ROCINN algorithm is given in Fig. 2;
the algorithm steps are described in the following subsections.</p>
      <p id="d1e1550">Previous versions of the ROCINN algorithm for operational processing of GOME
(Van Roozendael et al., 2006) and GOME-2 (Loyola et al., 2011) modelled
clouds as simple Lambertian surfaces (ROCINN_CRB). The CRB approach was
originally developed for GOME (footprint: 320 <inline-formula><mml:math id="M76" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 40 km<inline-formula><mml:math id="M77" display="inline"><mml:mrow><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>, where
different types of clouds are combined in the large satellite pixels, and
errors in the cloud model are compensated (Kokhanovsky et al., 2007), but the
limitations of the CRB model are already noticeable with GOME-2 (footprints:
<inline-formula><mml:math id="M78" display="inline"><mml:mrow><mml:mn mathvariant="normal">80</mml:mn><mml:mo>/</mml:mo><mml:mn mathvariant="normal">40</mml:mn></mml:mrow></mml:math></inline-formula> <inline-formula><mml:math id="M79" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 40 km<inline-formula><mml:math id="M80" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:math></inline-formula>), where an intra-cloud correction was
developed to compensate for the CRB overestimation of the O<inline-formula><mml:math id="M81" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">3</mml:mn></mml:msub></mml:math></inline-formula> ghost column
(Loyola et al., 2011). For TROPOMI/S5P, with significantly smaller ground
pixels (footprint: 7 <inline-formula><mml:math id="M82" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 3.5 km<inline-formula><mml:math id="M83" display="inline"><mml:mrow><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>, we have developed the more
sophisticated ROCINN_CAL algorithm presented in this paper. In CAL, clouds
are modelled as optically uniform layers of scattering water droplets – with
this more physically realistic scenario, CAL is expected to be more accurate
than CRB, especially for optically thin clouds (Rozanov and Kokhanovsky,
2004). For implementation of CAL model, a detailed description of the
parameterisation of liquid water clouds in the forward model is provided in
Sect. 4.4.</p>
      <p id="d1e1629">Another change from older ROCINN versions is with the use of neural
networks. In previous ROCINN versions, a neural network was used for solving
the inverse function (Loyola et al., 2007), whereas in this version a neural
network is used for parameterising the forward model (Sect. 4.4) while the
inversion is performed using Tikhonov regularisation (Sect. 4.5). This change
in methodology enables us to conduct proper error characterisations for all
retrievals (Sect. 4.6).</p>
<sec id="Ch1.S4.SS1">
  <label>4.1</label><title>Wavelength recalibration</title>
      <p id="d1e1639">Before we describe ROCINN itself, we remark on the initial wavelength
registration (see Fig. 2). The wavelength grid of the measured solar
irradiance <inline-formula><mml:math id="M84" display="inline"><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mn mathvariant="normal">0</mml:mn></mml:msub></mml:mrow></mml:math></inline-formula> is recalibrated using a high-resolution solar reference
<inline-formula><mml:math id="M85" display="inline"><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mi mathvariant="normal">sol</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> by first dividing the fitting window into sub-windows and
computing for each sub-window <inline-formula><mml:math id="M86" display="inline"><mml:mi>j</mml:mi></mml:math></inline-formula> a wavelength shift <inline-formula><mml:math id="M87" display="inline"><mml:mrow><mml:mi mathvariant="normal">Δ</mml:mi><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>j</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula>
between <inline-formula><mml:math id="M88" display="inline"><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mrow><mml:mn mathvariant="normal">0</mml:mn><mml:mo>,</mml:mo><mml:mi>j</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M89" display="inline"><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mrow><mml:mi mathvariant="normal">sol</mml:mi><mml:mo>,</mml:mo><mml:mi>j</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math></inline-formula>. The solar reference spectrum used
for the wavelength calibration is the<?pagebreak page414?> SAO2010
(<uri>https://www.cfa.harvard.edu/atmosphere/links/sao2010.solref.converted</uri>)
produced for atmospheric measurements in the UV–VIS–NIR by Chance and
Kurucz (2010). The calibration is applied on the reference spectrum by using
DOAS fit methods as part of
the UPAS processor. The recalibrated grid is then established by applying (at
each original wavelength point) a shift value computed from a polynomial fit
through the <inline-formula><mml:math id="M90" display="inline"><mml:mrow><mml:mi mathvariant="normal">Δ</mml:mi><mml:msub><mml:mi mathvariant="italic">λ</mml:mi><mml:mi>j</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> for the various sub-windows. The fitting is
achieved for polynomials of a degree of 3 for S5P.</p>
      <p id="d1e1733">Note that during the inversion (see Sect. 4.5) a wavelength shift for the
earthshine spectrum is fitted additionally.</p>
      <p id="d1e1736">The sun-normalised radiance <inline-formula><mml:math id="M91" display="inline"><mml:mrow><mml:mi>R</mml:mi><mml:mo>(</mml:mo><mml:mi mathvariant="italic">λ</mml:mi><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula> at wavelength <inline-formula><mml:math id="M92" display="inline"><mml:mi mathvariant="italic">λ</mml:mi></mml:math></inline-formula> is then
defined as
            <disp-formula id="Ch1.E5" content-type="numbered"><label>5</label><mml:math id="M93" display="block"><mml:mrow><mml:mi>R</mml:mi><mml:mfenced open="(" close=")"><mml:mi mathvariant="italic">λ</mml:mi></mml:mfenced><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:mi>I</mml:mi><mml:mfenced open="(" close=")"><mml:mi mathvariant="italic">λ</mml:mi></mml:mfenced></mml:mrow><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mn mathvariant="normal">0</mml:mn></mml:msub><mml:mfenced open="(" close=")"><mml:mi mathvariant="italic">λ</mml:mi></mml:mfenced></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
          where <inline-formula><mml:math id="M94" display="inline"><mml:mrow><mml:mi>I</mml:mi><mml:mfenced open="(" close=")"><mml:mi mathvariant="italic">λ</mml:mi></mml:mfenced></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M95" display="inline"><mml:mrow><mml:msub><mml:mi>E</mml:mi><mml:mn mathvariant="normal">0</mml:mn></mml:msub><mml:mfenced close=")" open="("><mml:mi mathvariant="italic">λ</mml:mi></mml:mfenced></mml:mrow></mml:math></inline-formula> denote the
measured earthshine backscattered radiance and solar irradiance spectra
respectively, with both spectra registered on the recalibrated solar irradiance
grid as noted above.</p>
</sec>
<sec id="Ch1.S4.SS2">
  <label>4.2</label><?xmltex \opttitle{ROCINN\_CAL}?><title>ROCINN_CAL</title>
      <p id="d1e1827">For ROCINN with CAL, the total sun-normalised radiance is
taken to be a linearly weighted sum of independent radiances <inline-formula><mml:math id="M96" display="inline"><mml:mrow><mml:msub><mml:mi>R</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula>
for the clear-sky scene and <inline-formula><mml:math id="M97" display="inline"><mml:mrow><mml:msubsup><mml:mi>R</mml:mi><mml:mi mathvariant="normal">c</mml:mi><mml:mi mathvariant="normal">CAL</mml:mi></mml:msubsup></mml:mrow></mml:math></inline-formula> for the cloud-filled
scene, with the weighting expressed through the radiometric cloud fraction
<inline-formula><mml:math id="M98" display="inline"><mml:mrow><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula>. Both radiance contributions are calculated using standard
one-dimensional radiative transfer models (RTMs).</p>
      <p id="d1e1865">The sun-normalised radiance for a cloudy scene is calculated with the cloud
treated as a single scattering layer with geometrical extent characterised by
cloud top height <inline-formula><mml:math id="M99" display="inline"><mml:mrow><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">ct</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> and cloud base height <inline-formula><mml:math id="M100" display="inline"><mml:mrow><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">cb</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula>
(or alternatively the cloud geometrical thickness
<inline-formula><mml:math id="M101" display="inline"><mml:mrow><mml:msub><mml:mi>H</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">ct</mml:mi></mml:msub><mml:mo>-</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">cb</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:math></inline-formula>. The entire cloud is
optically uniform with cloud optical thickness <inline-formula><mml:math id="M102" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">τ</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula>, and its
scattering properties are determined through Mie-scattering calculations for
water droplet particles (microphysical properties are discussed below). In
the IPA, we may write sun-normalised CAL simulated radiances
<inline-formula><mml:math id="M103" display="inline"><mml:mrow><mml:msubsup><mml:mi>R</mml:mi><mml:mi mathvariant="normal">sim</mml:mi><mml:mi mathvariant="normal">CAL</mml:mi></mml:msubsup></mml:mrow></mml:math></inline-formula> as

                <disp-formula specific-use="align" content-type="numbered"><mml:math id="M104" display="block"><mml:mtable displaystyle="true"><mml:mtr><mml:mtd><mml:mstyle displaystyle="true" class="stylechange"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle class="stylechange" displaystyle="true"/><mml:msubsup><mml:mi>R</mml:mi><mml:mi mathvariant="normal">sim</mml:mi><mml:mi mathvariant="normal">CAL</mml:mi></mml:msubsup><mml:mfenced open="(" close=")"><mml:mi mathvariant="italic">λ</mml:mi></mml:mfenced><mml:mo>=</mml:mo><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:msubsup><mml:mi>R</mml:mi><mml:mi mathvariant="normal">c</mml:mi><mml:mi mathvariant="normal">CAL</mml:mi></mml:msubsup><mml:mfenced close=")" open="("><mml:mrow><mml:mi mathvariant="italic">λ</mml:mi><mml:mo>,</mml:mo><mml:mi mathvariant="normal">Θ</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi mathvariant="italic">τ</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">ct</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">cb</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>A</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:mtd></mml:mtr><mml:mlabeledtr id="Ch1.E6"><mml:mtd><mml:mtext>6</mml:mtext></mml:mtd><mml:mtd><mml:mstyle displaystyle="true" class="stylechange"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle displaystyle="true" class="stylechange"/><mml:mspace width="2em" linebreak="nobreak"/><mml:mo>+</mml:mo><mml:mo>(</mml:mo><mml:mn mathvariant="normal">1</mml:mn><mml:mo>-</mml:mo><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>)</mml:mo><mml:msup><mml:mi>R</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msup><mml:mfenced close=")" open="("><mml:mrow><mml:mi mathvariant="italic">λ</mml:mi><mml:mo>,</mml:mo><mml:mi mathvariant="normal">Θ</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi>A</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>.</mml:mo></mml:mrow></mml:mtd></mml:mlabeledtr></mml:mtable></mml:math></disp-formula>

            Here, <inline-formula><mml:math id="M105" display="inline"><mml:mi mathvariant="normal">Θ</mml:mi></mml:math></inline-formula> denotes path geometry (solar and line-of-sight angles), and
surface properties are the Lambertian albedo <inline-formula><mml:math id="M106" display="inline"><mml:mrow><mml:msub><mml:mi>A</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> and lower boundary
height <inline-formula><mml:math id="M107" display="inline"><mml:mrow><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula>.</p>
      <p id="d1e2105">Radiances for clear-sky and cloudy scenarios are calculated using the
VLIDORT (Vector Linearized Discrete Ordinate Radiative Transfer) model (Spurr, 2006), at wavelengths in and adjacent to
the O<inline-formula><mml:math id="M108" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M109" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band. Details of the RTM calculations are given in Sect. 4.4 below.</p>
      <p id="d1e2125">A complete data set of simulated sun-normalised radiance templates is
created offline for an appropriate range of viewing/solar geometries and
surface geophysical scenarios, and for various combinations of cloud
properties.</p>
      <p id="d1e2128">The inverse problem uses least-squares fitting with a generalised form of
Tikhonov regularisation (details in Sect. 4.5). Retrieval in the O<inline-formula><mml:math id="M110" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula>
<inline-formula><mml:math id="M111" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band with the four-element state vector <inline-formula><mml:math id="M112" display="inline"><mml:mrow><mml:mfenced close="}" open="{"><mml:mrow><mml:msub><mml:mi mathvariant="italic">τ</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">ct</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">cb</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:math></inline-formula> is an
ill-posed problem that requires additional information in order to obtain an
inverse solution, as there are only two degrees of freedom for signal (DFS;
Schüssler et al., 2014). For ROCINN_CAL, the retrieval state vector is
just <inline-formula><mml:math id="M113" display="inline"><mml:mrow><mml:mfenced close="}" open="{"><mml:mrow><mml:msub><mml:mi mathvariant="italic">τ</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">ct</mml:mi></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:math></inline-formula> for cloud optical
thickness <inline-formula><mml:math id="M114" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">τ</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> and height <inline-formula><mml:math id="M115" display="inline"><mml:mrow><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">ct</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula>, a fixed cloud
geometrical thickness of 1 km is assumed, and the radiometric cloud fraction
<inline-formula><mml:math id="M116" display="inline"><mml:mrow><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> is taken from OCRA.</p>
</sec>
<sec id="Ch1.S4.SS3">
  <label>4.3</label><?xmltex \opttitle{ROCINN\_CRB}?><title>ROCINN_CRB</title>
      <p id="d1e2244">ROCINN with CRB assumes that clouds are
treated as Lambertian reflectors. The sun-normalised CRB simulated radiances
<inline-formula><mml:math id="M117" display="inline"><mml:mrow><mml:msubsup><mml:mi>R</mml:mi><mml:mi mathvariant="normal">sim</mml:mi><mml:mi mathvariant="normal">CRB</mml:mi></mml:msubsup></mml:mrow></mml:math></inline-formula> are defined as
            <disp-formula id="Ch1.E7" content-type="numbered"><label>7</label><mml:math id="M118" display="block"><mml:mrow><mml:msubsup><mml:mi>R</mml:mi><mml:mi mathvariant="normal">sim</mml:mi><mml:mi mathvariant="normal">CRB</mml:mi></mml:msubsup><mml:mfenced open="(" close=")"><mml:mi mathvariant="italic">λ</mml:mi></mml:mfenced><mml:mo>=</mml:mo><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:msubsup><mml:mi>R</mml:mi><mml:mi mathvariant="normal">c</mml:mi><mml:mi mathvariant="normal">CRB</mml:mi></mml:msubsup><mml:mfenced close=")" open="("><mml:mrow><mml:mi mathvariant="italic">λ</mml:mi><mml:mo>,</mml:mo><mml:mi mathvariant="normal">Θ</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi>A</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mo>+</mml:mo><mml:mo>(</mml:mo><mml:mn mathvariant="normal">1</mml:mn><mml:mo>-</mml:mo><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>)</mml:mo><mml:msup><mml:mi>R</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msup><mml:mo>(</mml:mo><mml:mi mathvariant="italic">λ</mml:mi><mml:mo>,</mml:mo><mml:mi mathvariant="normal">Θ</mml:mi><mml:mo>,</mml:mo><mml:msub><mml:mi>A</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msub><mml:mo>)</mml:mo><mml:mo>.</mml:mo></mml:mrow></mml:math></disp-formula>
          The retrieval state vector for ROCINN_CRB is <inline-formula><mml:math id="M119" display="inline"><mml:mrow><mml:mfenced close="}" open="{"><mml:mrow><mml:msub><mml:mi>A</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:math></inline-formula> for cloud albedo <inline-formula><mml:math id="M120" display="inline"><mml:mrow><mml:msub><mml:mi>A</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> and cloud
height <inline-formula><mml:math id="M121" display="inline"><mml:mrow><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula>; the radiometric cloud fraction <inline-formula><mml:math id="M122" display="inline"><mml:mrow><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> is again
from OCRA.</p>
</sec>
<sec id="Ch1.S4.SS4">
  <label>4.4</label><title>Forward model</title>
      <p id="d1e2422">ROCINN is based on simulated sun-normalised radiances at wavelengths in and
around the O<inline-formula><mml:math id="M123" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M124" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band. Two sets of radiance templates were calculated
using the CRB and CAL models. The cloudy-scene sun-normalised radiances
<inline-formula><mml:math id="M125" display="inline"><mml:mrow><mml:msubsup><mml:mi>R</mml:mi><mml:mi mathvariant="normal">c</mml:mi><mml:mi mathvariant="normal">CAL</mml:mi></mml:msubsup></mml:mrow></mml:math></inline-formula> were calculated for a multi-layer atmosphere
including multiple scattering in all layers. Mie scattering was used to
generate cloud optical properties. Details may be found in Schüssler et
al. (2014).</p>
      <p id="d1e2454">Simulated sun-normalised radiances <inline-formula><mml:math id="M126" display="inline"><mml:mrow><mml:msub><mml:mi>R</mml:mi><mml:mi mathvariant="normal">sim</mml:mi></mml:msub><mml:mfenced close=")" open="("><mml:mi mathvariant="italic">λ</mml:mi></mml:mfenced></mml:mrow></mml:math></inline-formula> are
calculated using the vector VLIDORT multiple-scattering multi-layer discrete
ordinate RTM (Spurr, 2006); the desired total intensity <inline-formula><mml:math id="M127" display="inline"><mml:mi>I</mml:mi></mml:math></inline-formula> will incorporate
the effects of polarisation. The incorporation of a vector RTM is necessary
not for TROPOMI itself but for the processing of data from GOME, SCIAMACHY,
and GOME-2. In addition to the cloud layers, VLIDORT calculations are based
on clear-sky optical properties for line absorption by oxygen molecules and
Rayleigh scattering by air molecules.</p>
      <p id="d1e2478">For the line absorption, it is necessary to calculate line-by-line (LBL)
radiances (typically at resolution 0.0015 nm for the range 758–771 nm)
using line-spectroscopic information for the O<inline-formula><mml:math id="M128" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M129" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band before
convolution with the sensor slit function.</p>
      <p id="d1e2497">The spectroscopic data are taken from the HITRAN 2012 database (released in
June 2013). Absorption cross sections are computed using LBL software from
DLR (Schreier and Schimpf, 2001; Schreier, 2011), in which line absorption
signatures are accurately modelled with the Voigt profile.</p>
      <?pagebreak page415?><p id="d1e2501">For Mie scattering calculations, we require knowledge of microphysical
properties of clouds consisting of liquid water. The droplets are assumed to
be randomly distributed within the cloud layer, and any possible
inhomogeneity in the cloud is assumed negligible in the current version of
CAL model. In addition, we have found that the consistency of cloud models
(e.g. CAL or CRB) used in both the cloud and UV–VIS trace gas retrievals is
far more critical than the optical properties selected for the RTM
simulations of the CAL templates.</p>
      <p id="d1e2504">The drop size distribution is well approximated by the modified-Gamma size
distribution function (Deirmendjian, 1964):
            <disp-formula id="Ch1.E8" content-type="numbered"><label>8</label><mml:math id="M130" display="block"><mml:mrow><mml:mi>n</mml:mi><mml:mfenced open="(" close=")"><mml:mi>r</mml:mi></mml:mfenced><mml:mo>=</mml:mo><mml:mi>C</mml:mi><mml:msup><mml:mi>r</mml:mi><mml:mrow><mml:mo>-</mml:mo><mml:mi mathvariant="italic">α</mml:mi></mml:mrow></mml:msup><mml:mi mathvariant="normal">exp</mml:mi><mml:mfenced close="]" open="["><mml:mrow><mml:mo>-</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mi mathvariant="italic">α</mml:mi><mml:mi mathvariant="italic">γ</mml:mi></mml:mfrac></mml:mstyle><mml:msup><mml:mfenced close=")" open="("><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mi>r</mml:mi><mml:mrow><mml:msub><mml:mi>r</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:mfrac></mml:mstyle></mml:mfenced><mml:mi mathvariant="italic">γ</mml:mi></mml:msup></mml:mrow></mml:mfenced><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
          which is parameterised by the mode radius <inline-formula><mml:math id="M131" display="inline"><mml:mrow><mml:msub><mml:mi>r</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> in units of microns
(<inline-formula><mml:math id="M132" display="inline"><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:math></inline-formula>m), and constants <inline-formula><mml:math id="M133" display="inline"><mml:mi mathvariant="italic">α</mml:mi></mml:math></inline-formula> and <inline-formula><mml:math id="M134" display="inline"><mml:mi mathvariant="italic">γ</mml:mi></mml:math></inline-formula> describe the shape of
the distribution following Hess et al. (1998). In Eq. (8), <inline-formula><mml:math id="M135" display="inline"><mml:mi>C</mml:mi></mml:math></inline-formula> is the
normalisation constant. Characteristic values for the low-level cloud (i.e.
stratus/cumulus) parameterisation are mode radius <inline-formula><mml:math id="M136" display="inline"><mml:mrow><mml:msub><mml:mi>r</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:mn mathvariant="normal">4.75</mml:mn><mml:mspace width="0.125em" linebreak="nobreak"/><mml:mrow class="unit"><mml:mi mathvariant="normal">µ</mml:mi></mml:mrow></mml:mrow></mml:math></inline-formula>m and shape parameters <inline-formula><mml:math id="M137" display="inline"><mml:mrow><mml:mi mathvariant="italic">α</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">5</mml:mn></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M138" display="inline"><mml:mrow><mml:mi mathvariant="italic">γ</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">1.61</mml:mn></mml:mrow></mml:math></inline-formula>.</p>
      <p id="d1e2642">The cloud <italic>macro-physical</italic> properties (classifications of cloud top height and cloud
geometrical thickness) are based on the tables in Wang et al. (2000).
Details of this algorithm prototype can be found in Schüssler et al.
(2014).</p>
      <p id="d1e2648">The cloud geometrical thickness is always constant and equal to 1 km;
thus, the liquid water path of the cloud is then defined by the total number
concentration. A single phase scattering function is used with the extinction
cross section for spherical particles obtained by Mie theory (Van de Hulst,
1957; Bohren and Huffman, 1983). The complex refractive index (<inline-formula><mml:math id="M139" display="inline"><mml:mrow><mml:mi>n</mml:mi><mml:mo>+</mml:mo><mml:mi>i</mml:mi><mml:mi>m</mml:mi></mml:mrow></mml:math></inline-formula>) of
cloud droplets was configured as <inline-formula><mml:math id="M140" display="inline"><mml:mrow><mml:mi>n</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">1.33</mml:mn></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M141" display="inline"><mml:mrow><mml:mi>m</mml:mi><mml:mo>=</mml:mo><mml:mn mathvariant="normal">1.56</mml:mn><mml:mo>×</mml:mo><mml:msup><mml:mn mathvariant="normal">10</mml:mn><mml:mrow><mml:mo>-</mml:mo><mml:mn mathvariant="normal">7</mml:mn></mml:mrow></mml:msup></mml:mrow></mml:math></inline-formula> for
liquid water at 758 nm (Hale and Querry, 1973).</p>
      <p id="d1e2699">The line-by-line RT calculations in the O<inline-formula><mml:math id="M142" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M143" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band are computationally
very demanding, and this precludes the deployment of online calls to VLIDORT
during the processing of TROPOMI data. For this reason, RTM simulations for
the range of S5P viewing conditions are performed in advance. Node points for
the RTM are created using a “smart sampling” technique (Loyola et al.,
2016) that minimises the number of calls to the RTM and at the same time
optimally covers the input space. There are many millions of forward-model
calculations required; this process is done offline and normally takes
several weeks to complete. In the next step, the LBL simulations are
convolved with the TROPOMI instrumental spectral response function, and the
resulting radiances are used to train a neural network that accurately
approximates the RTM template output with a mean average relative error below 1 % over
the O<inline-formula><mml:math id="M144" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M145" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band spectral window for all scene geometries.
The node point generation, RTM simulation, and neural-network training are
done using the smart sampling and incremental function learning technique
(Loyola et al., 2016). The input space (surface properties, cloud properties,
and geometries) is not sampled using a set of regular grids, but instead a
smart sampling technique (Loyola et al., 2016) is used to optimise the
distribution of multi-dimensional points within the (input) state space. The
total number of computational nodes was of the order of some hundred
thousand. The trained neural network that computes the O<inline-formula><mml:math id="M146" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M147" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band
sun-normalised radiances is used in the UPAS operational environment, and
this enables ROCINN retrievals to be done very quickly.</p>
</sec>
<sec id="Ch1.S4.SS5">
  <label>4.5</label><title>Inverse model</title>
      <p id="d1e2759">If <inline-formula><mml:math id="M148" display="inline"><mml:mi mathvariant="bold-italic">x</mml:mi></mml:math></inline-formula> is
the state vector <inline-formula><mml:math id="M149" display="inline"><mml:mrow><mml:mfenced close="}" open="{"><mml:mrow><mml:msub><mml:mi mathvariant="italic">τ</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msub><mml:mi>Z</mml:mi><mml:mi mathvariant="normal">ct</mml:mi></mml:msub><mml:mo>,</mml:mo><mml:msup><mml:mi>A</mml:mi><mml:mi mathvariant="normal">s</mml:mi></mml:msup><mml:mo>,</mml:mo><mml:msub><mml:mi>f</mml:mi><mml:mi mathvariant="normal">c</mml:mi></mml:msub></mml:mrow></mml:mfenced></mml:mrow></mml:math></inline-formula> comprising
possible cloud parameters for retrieval, and <inline-formula><mml:math id="M150" display="inline"><mml:mi mathvariant="bold-italic">b</mml:mi></mml:math></inline-formula> denotes a vector of
auxiliary forward-model parameters (surface properties, viewing geometry,
etc.), we write the measurement vector as <inline-formula><mml:math id="M151" display="inline"><mml:mrow><mml:msup><mml:mi mathvariant="bold-italic">y</mml:mi><mml:mi mathvariant="italic">δ</mml:mi></mml:msup><mml:mo>=</mml:mo><mml:mi>F</mml:mi><mml:mfenced close=")" open="("><mml:mrow><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mo>,</mml:mo><mml:mi mathvariant="bold-italic">b</mml:mi></mml:mrow></mml:mfenced><mml:mo>+</mml:mo><mml:mi mathvariant="bold-italic">δ</mml:mi></mml:mrow></mml:math></inline-formula>, where
<inline-formula><mml:math id="M152" display="inline"><mml:mi>F</mml:mi></mml:math></inline-formula> is the forward model and <inline-formula><mml:math id="M153" display="inline"><mml:mi mathvariant="bold-italic">δ</mml:mi></mml:math></inline-formula> is the data error
vector. The inverse problem defined by this equation is non-linear and
ill-posed, and regularisation is required in order to obtain a solution with
physical meaning. The degree to which the problem is ill-posed is partly
characterised by the condition number <inline-formula><mml:math id="M154" display="inline"><mml:mrow><mml:mi>c</mml:mi><mml:mfenced close=")" open="("><mml:mi>K</mml:mi></mml:mfenced><mml:mo>=</mml:mo><mml:msub><mml:mi mathvariant="italic">γ</mml:mi><mml:mi mathvariant="normal">max</mml:mi></mml:msub><mml:mo>/</mml:mo><mml:msub><mml:mi mathvariant="italic">γ</mml:mi><mml:mi mathvariant="normal">min</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> of the Jacobian matrix <inline-formula><mml:math id="M155" display="inline"><mml:mrow><mml:mi mathvariant="bold">K</mml:mi><mml:mo>=</mml:mo><mml:mi mathvariant="normal">d</mml:mi><mml:mi>F</mml:mi><mml:mo>/</mml:mo><mml:mi mathvariant="normal">d</mml:mi><mml:mi>x</mml:mi></mml:mrow></mml:math></inline-formula>, where <inline-formula><mml:math id="M156" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">γ</mml:mi><mml:mi mathvariant="normal">max</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M157" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">γ</mml:mi><mml:mi mathvariant="normal">min</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> are the largest and the smallest
singular values of <inline-formula><mml:math id="M158" display="inline"><mml:mi>K</mml:mi></mml:math></inline-formula> respectively.</p>
      <p id="d1e2926">In the form of Tikhonov regularisation used here, the regularised solution
<inline-formula><mml:math id="M159" display="inline"><mml:mrow><mml:msubsup><mml:mi>x</mml:mi><mml:mi mathvariant="italic">α</mml:mi><mml:mi mathvariant="italic">δ</mml:mi></mml:msubsup></mml:mrow></mml:math></inline-formula> minimises the objective
functional:
            <disp-formula id="Ch1.E9" content-type="numbered"><label>9</label><mml:math id="M160" display="block"><mml:mrow><mml:msub><mml:mi>F</mml:mi><mml:mi mathvariant="italic">α</mml:mi></mml:msub><mml:mfenced close=")" open="("><mml:mrow><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mo>,</mml:mo><mml:mi mathvariant="bold-italic">b</mml:mi></mml:mrow></mml:mfenced><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mn mathvariant="normal">1</mml:mn><mml:mn mathvariant="normal">2</mml:mn></mml:mfrac></mml:mstyle><mml:mfenced open="{" close="}"><mml:mrow><mml:msup><mml:mfenced close="∥" open="∥"><mml:mrow><mml:mi>F</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mo>,</mml:mo><mml:mi mathvariant="bold-italic">b</mml:mi></mml:mrow></mml:mfenced><mml:mo>-</mml:mo><mml:mi mathvariant="bold-italic">y</mml:mi></mml:mrow></mml:mfenced><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>+</mml:mo><mml:mi mathvariant="italic">α</mml:mi><mml:msup><mml:mfenced open="∥" close="∥"><mml:mrow><mml:mi>L</mml:mi><mml:mo>(</mml:mo><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mo>-</mml:mo><mml:msub><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="normal">a</mml:mi></mml:msub><mml:mo>)</mml:mo></mml:mrow></mml:mfenced><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:mfenced><mml:mo>.</mml:mo></mml:mrow></mml:math></disp-formula>
          Here, <inline-formula><mml:math id="M161" display="inline"><mml:mi mathvariant="italic">α</mml:mi></mml:math></inline-formula> denotes the regularisation parameter, and <inline-formula><mml:math id="M162" display="inline"><mml:mi mathvariant="bold">L</mml:mi></mml:math></inline-formula> is
the regularisation matrix (Doicu et al., 2010). The functional is defined
with the <inline-formula><mml:math id="M163" display="inline"><mml:mrow><mml:msub><mml:mi>L</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:mrow></mml:math></inline-formula> Euclidean norm. The minimiser for Eq. (9) can be computed
with Gauss–Newton methods.</p>
      <p id="d1e3041">In statistical inversion theory, the Bayesian approach or the optimal
estimation method can be regarded as a stochastic version of Tikhonov
regularisation. The maximum a posteriori solution coincides with the
Tikhonov solution when the state vector <inline-formula><mml:math id="M164" display="inline"><mml:mi mathvariant="bold-italic">x</mml:mi></mml:math></inline-formula> and the noise vector
<inline-formula><mml:math id="M165" display="inline"><mml:mi mathvariant="bold-italic">δ</mml:mi></mml:math></inline-formula> are Gaussian random vectors with covariance matrices
<inline-formula><mml:math id="M166" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="bold">C</mml:mi><mml:mi>x</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:msubsup><mml:mi mathvariant="italic">σ</mml:mi><mml:mi>x</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msubsup><mml:msub><mml:mi mathvariant="bold">I</mml:mi><mml:mi>n</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> and
<inline-formula><mml:math id="M167" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="bold">C</mml:mi><mml:mi mathvariant="italic">δ</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:msup><mml:mi mathvariant="italic">σ</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:msub><mml:mi mathvariant="bold">I</mml:mi><mml:mi>m</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> respectively, where
<inline-formula><mml:math id="M168" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">σ</mml:mi><mml:mi>x</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M169" display="inline"><mml:mi mathvariant="italic">σ</mml:mi></mml:math></inline-formula> are the corresponding standard deviations, and
<inline-formula><mml:math id="M170" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="bold">I</mml:mi><mml:mi>n</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> is the identity matrix of size <inline-formula><mml:math id="M171" display="inline"><mml:mi>n</mml:mi></mml:math></inline-formula>. In this case, the
regularisation parameter <inline-formula><mml:math id="M172" display="inline"><mml:mi mathvariant="italic">α</mml:mi></mml:math></inline-formula> is the ratio of these two variances; that
is, <inline-formula><mml:math id="M173" display="inline"><mml:mrow><mml:mi mathvariant="italic">α</mml:mi><mml:mo>=</mml:mo><mml:msup><mml:mi mathvariant="italic">σ</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:mo>/</mml:mo><mml:msubsup><mml:mi mathvariant="italic">σ</mml:mi><mml:mi>x</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msubsup></mml:mrow></mml:math></inline-formula>.</p>
      <p id="d1e3174">As noted above, the operational ROCINN algorithm with CAL (or CRB) retrieves
two cloud parameters: the cloud top height and cloud optical thickness (or
cloud albedo) with the a priori cloud fraction taken from OCRA and the
surface albedo from the MERIS black-sky climatology at 760 nm (Popp et al.,
2011). Note that the cloud fraction and the surface albedo are included in
the state vector with a very strong regularisation (i.e. only very small
changes are allowed) in order to improve the fitting. These very small
changes refer to the differences between the retrieved value of cloud
fraction (and surface albedo) and their corresponding a priori value. The
regularisation parameter for cloud fraction and surface<?pagebreak page416?> albedo is very high
(i.e. 2 orders of magnitude higher than that for cloud top height and cloud
optical thickness/cloud albedo), and thus these retrieval parameters are
always well within 1 % difference from their a priori values. The state
vector includes additionally a single wavelength registration shift parameter
that takes care of the Doppler effect. The inverse model requires the partial
derivatives of the radiances with respect to the state vector elements, and
these Jacobians are provided by the forward model.</p>
      <p id="d1e3178">Convergence is reached when either the residual <inline-formula><mml:math id="M174" display="inline"><mml:mrow><mml:msup><mml:mfenced open="∥" close="∥"><mml:mrow><mml:mi>F</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mo>,</mml:mo><mml:mi mathvariant="bold-italic">b</mml:mi></mml:mrow></mml:mfenced><mml:mo>-</mml:mo><mml:mi mathvariant="bold-italic">y</mml:mi></mml:mrow></mml:mfenced><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:mrow></mml:math></inline-formula> or incremental changes in
the retrieved parameters <inline-formula><mml:math id="M175" display="inline"><mml:mrow><mml:mi mathvariant="bold">Δ</mml:mi><mml:mi mathvariant="bold-italic">x</mml:mi></mml:mrow></mml:math></inline-formula> are smaller
than pre-defined values (defaults: 5 <inline-formula><mml:math id="M176" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 10<inline-formula><mml:math id="M177" display="inline"><mml:msup><mml:mi/><mml:mrow><mml:mo>-</mml:mo><mml:mn mathvariant="normal">3</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula> and
5 <inline-formula><mml:math id="M178" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 10<inline-formula><mml:math id="M179" display="inline"><mml:msup><mml:mi/><mml:mrow><mml:mo>-</mml:mo><mml:mn mathvariant="normal">5</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula>), or when the maximum number of
iterations (default: 50) is reached. The default value for the regularisation
parameter <inline-formula><mml:math id="M180" display="inline"><mml:mi mathvariant="italic">α</mml:mi></mml:math></inline-formula> is 1 <inline-formula><mml:math id="M181" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 10<inline-formula><mml:math id="M182" display="inline"><mml:msup><mml:mi/><mml:mrow><mml:mo>-</mml:mo><mml:mn mathvariant="normal">4</mml:mn></mml:mrow></mml:msup></mml:math></inline-formula>.</p>
</sec>
<sec id="Ch1.S4.SS6">
  <label>4.6</label><title>Retrieval diagnostics</title>
      <p id="d1e3289">The equivalence between the Bayesian approach and the method of Tikhonov
regularisation enables us to analyse the information content of the signal
with respect to the retrieved parameters in a stochastic framework
(Schüssler et al., 2014). DFS is a
measure of the number of independent pieces of information in the
measurement, and it gives the minimum number of parameters which can be used
to define a state vector without loss of information. It is defined as the
trace of the averaging kernel matrix, which represents the sensitivity of the
retrieval to changes in the <italic>true</italic> state. The DFS can be computed as
            <disp-formula id="Ch1.E10" content-type="numbered"><label>10</label><mml:math id="M183" display="block"><mml:mrow><mml:mi mathvariant="normal">DFS</mml:mi><mml:mo>=</mml:mo><mml:munderover><mml:mo movablelimits="false">∑</mml:mo><mml:mi>i</mml:mi><mml:mi>n</mml:mi></mml:munderover><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:msubsup><mml:mi mathvariant="italic">γ</mml:mi><mml:mi>i</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msubsup></mml:mrow><mml:mrow><mml:msubsup><mml:mi mathvariant="italic">γ</mml:mi><mml:mi>i</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msubsup><mml:mo>+</mml:mo><mml:mi mathvariant="italic">α</mml:mi></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
          where <inline-formula><mml:math id="M184" display="inline"><mml:mrow><mml:msubsup><mml:mi mathvariant="italic">γ</mml:mi><mml:mi>i</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msubsup></mml:mrow></mml:math></inline-formula>are the singular values of the matrix <inline-formula><mml:math id="M185" display="inline"><mml:mi mathvariant="bold">K</mml:mi></mml:math></inline-formula>.</p>
      <p id="d1e3356">Another useful criterion for the estimation of the retrieval quality is the
Shannon information content (SIC), which is a measure of the incremental gain
in information, defined as the entropy difference between the a priori and
a posteriori states; the corresponding formula reads as follows:

                <disp-formula id="Ch1.E11" content-type="numbered"><label>11</label><mml:math id="M186" display="block"><mml:mrow><mml:mstyle class="stylechange" displaystyle="true"/><mml:mi mathvariant="normal">SIC</mml:mi><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mn mathvariant="normal">1</mml:mn><mml:mn mathvariant="normal">2</mml:mn></mml:mfrac></mml:mstyle><mml:munderover><mml:mo movablelimits="false">∑</mml:mo><mml:mi>i</mml:mi><mml:mi>n</mml:mi></mml:munderover><mml:mi>log⁡</mml:mi><mml:mfenced open="(" close=")"><mml:mrow><mml:mn mathvariant="normal">1</mml:mn><mml:mo>+</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:msubsup><mml:mi mathvariant="italic">γ</mml:mi><mml:mi>i</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msubsup></mml:mrow><mml:mi mathvariant="italic">α</mml:mi></mml:mfrac></mml:mstyle></mml:mrow></mml:mfenced><mml:mo>.</mml:mo></mml:mrow></mml:math></disp-formula>

          The accuracy of the regularised solution is represented by the mean square
error matrix:

                <disp-formula specific-use="align" content-type="numbered"><mml:math id="M187" display="block"><mml:mtable displaystyle="true"><mml:mtr><mml:mtd><mml:mstyle displaystyle="true" class="stylechange"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle class="stylechange" displaystyle="true"/><mml:msub><mml:mi mathvariant="bold">S</mml:mi><mml:mi mathvariant="italic">α</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:mi mathvariant="italic">ε</mml:mi><mml:mspace linebreak="nobreak" width="0.125em"/><mml:mfenced open="{" close="}"><mml:mrow><mml:mfenced close=")" open="("><mml:mrow><mml:msup><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="italic">†</mml:mi></mml:msup><mml:mo>-</mml:mo><mml:msubsup><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="italic">α</mml:mi><mml:mi mathvariant="italic">δ</mml:mi></mml:msubsup></mml:mrow></mml:mfenced><mml:msup><mml:mfenced open="(" close=")"><mml:mrow><mml:msup><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="italic">†</mml:mi></mml:msup><mml:mo>-</mml:mo><mml:msubsup><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="italic">α</mml:mi><mml:mi mathvariant="italic">δ</mml:mi></mml:msubsup></mml:mrow></mml:mfenced><mml:mi>T</mml:mi></mml:msup></mml:mrow></mml:mfenced></mml:mrow></mml:mtd></mml:mtr><mml:mtr><mml:mtd><mml:mstyle displaystyle="true" class="stylechange"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle class="stylechange" displaystyle="true"/><mml:mspace linebreak="nobreak" width="2em"/><mml:mo>≈</mml:mo><mml:mspace linebreak="nobreak" width="0.125em"/><mml:mfenced close=")" open="("><mml:mrow><mml:msub><mml:mi>I</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mo>-</mml:mo><mml:msub><mml:mi mathvariant="bold">A</mml:mi><mml:mi mathvariant="italic">α</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mfenced open="(" close=")"><mml:mrow><mml:msubsup><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="italic">α</mml:mi><mml:mi mathvariant="italic">δ</mml:mi></mml:msubsup><mml:mo>-</mml:mo><mml:msub><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="normal">a</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:msup><mml:mfenced open="(" close=")"><mml:mrow><mml:msubsup><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="italic">α</mml:mi><mml:mi mathvariant="italic">δ</mml:mi></mml:msubsup><mml:mo>-</mml:mo><mml:msub><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="normal">a</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mi>T</mml:mi></mml:msup><mml:msup><mml:mfenced close=")" open="("><mml:mrow><mml:msub><mml:mi mathvariant="bold">I</mml:mi><mml:mi>n</mml:mi></mml:msub><mml:mo>-</mml:mo><mml:msub><mml:mi mathvariant="bold">A</mml:mi><mml:mi mathvariant="italic">α</mml:mi></mml:msub></mml:mrow></mml:mfenced><mml:mi>T</mml:mi></mml:msup></mml:mrow></mml:mtd></mml:mtr><mml:mlabeledtr id="Ch1.E12"><mml:mtd><mml:mtext>12</mml:mtext></mml:mtd><mml:mtd><mml:mstyle class="stylechange" displaystyle="true"/></mml:mtd><mml:mtd><mml:mrow><mml:mstyle class="stylechange" displaystyle="true"/><mml:mspace linebreak="nobreak" width="2em"/><mml:mo>+</mml:mo><mml:msup><mml:mi mathvariant="italic">σ</mml:mi><mml:mn mathvariant="normal">2</mml:mn></mml:msup><mml:msubsup><mml:mi mathvariant="bold">K</mml:mi><mml:mi mathvariant="italic">α</mml:mi><mml:mi mathvariant="italic">†</mml:mi></mml:msubsup><mml:msubsup><mml:mi mathvariant="bold">K</mml:mi><mml:mi mathvariant="italic">α</mml:mi><mml:mrow><mml:mi mathvariant="italic">†</mml:mi><mml:mi>T</mml:mi></mml:mrow></mml:msubsup><mml:mo>,</mml:mo></mml:mrow></mml:mtd></mml:mlabeledtr></mml:mtable></mml:math></disp-formula>

            where <inline-formula><mml:math id="M188" display="inline"><mml:mrow><mml:msup><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="italic">†</mml:mi></mml:msup></mml:mrow></mml:math></inline-formula> is the exact solution or “true state”, <inline-formula><mml:math id="M189" display="inline"><mml:mrow><mml:msubsup><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="italic">α</mml:mi><mml:mi mathvariant="italic">δ</mml:mi></mml:msubsup></mml:mrow></mml:math></inline-formula> the regularised solution, <inline-formula><mml:math id="M190" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="bold-italic">x</mml:mi><mml:mi mathvariant="normal">a</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> the a priori
state vector, <inline-formula><mml:math id="M191" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="bold">A</mml:mi><mml:mi mathvariant="italic">α</mml:mi></mml:msub></mml:mrow></mml:math></inline-formula> the averaging kernel matrix,
<inline-formula><mml:math id="M192" display="inline"><mml:mrow><mml:msubsup><mml:mi mathvariant="bold">K</mml:mi><mml:mi mathvariant="italic">α</mml:mi><mml:mi mathvariant="italic">†</mml:mi></mml:msubsup></mml:mrow></mml:math></inline-formula> the generalised inverse, <inline-formula><mml:math id="M193" display="inline"><mml:mi mathvariant="italic">σ</mml:mi></mml:math></inline-formula> the noise
standard deviation, <inline-formula><mml:math id="M194" display="inline"><mml:mi mathvariant="italic">α</mml:mi></mml:math></inline-formula> the regularisation parameter, and <inline-formula><mml:math id="M195" display="inline"><mml:mi mathvariant="italic">ε</mml:mi></mml:math></inline-formula>
the expected value operator. Further information on the mean square error
matrix and Tikhonov regularisation can be found in Doicu et al. (2010).</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F3"><?xmltex \currentcnt{3}?><label>Figure 3</label><caption><p id="d1e3659">Histogram of the absolute differences between the simulated
spectra and the cloud height retrievals from ROCINN_CAL and
ROCINN_CRB.</p></caption>
          <?xmltex \igopts{width=241.848425pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f03.pdf"/>

        </fig>

      <?xmltex \floatpos{t}?><fig id="Ch1.F4" specific-use="star"><?xmltex \currentcnt{4}?><label>Figure 4</label><caption><p id="d1e3671">Histogram of the absolute differences between the simulated spectra
and <bold>(a)</bold> the cloud optical thickness retrievals from ROCINN_CAL and
<bold>(b)</bold> the cloud albedo retrievals from ROCINN_CRB. The retrieved
cloud optical thickness varies from 2 to 50, with the cloud albedo ranging
from 0 to 1.</p></caption>
          <?xmltex \igopts{width=398.338583pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f04.pdf"/>

        </fig>

</sec>
<sec id="Ch1.S4.SS7">
  <label>4.7</label><title>Retrievals using synthetic spectra</title>
      <p id="d1e3694">In order to evaluate the performance of the ROCINN retrieval algorithm in
TROPOMI/S5P, a data set of synthetic TROPOMI measurements has been created.
Synthetic spectra were computed using VLIDORT for a number of different
scenarios characterised by various illumination and observation geometries,
surface albedo, and cloudiness. In particular, the following input space has
been covered using the smart sampling technique: surface height of [0–4] km,
surface albedo of [0–1], cloud top height of [2–15] km, cloud optical thickness
of [2–50], viewing zenith angle of [0–75] degrees, solar zenith angle of [0–90]
degrees, and relative azimuth angle of [0–180] degrees.</p>
      <p id="d1e3697">In general, these closed-loop ROCINN_CAL retrieval results are excellent;
the cloud top height results have no bias. The ROCINN_CRB retrieval was also
applied to the same data set of synthetic spectra in order to obtain
retrievals of the cloud height and cloud albedo. The results are shown in
Fig. 3; as expected, the CRB cloud height is systematically below the
simulated cloud top height, with a median difference of 1.2 <inline-formula><mml:math id="M196" display="inline"><mml:mo>±</mml:mo></mml:math></inline-formula> 0.4 km.</p>
      <p id="d1e3707">Figure 4 shows the correlation from ROCINN_CAL retrievals of cloud optical
thickness and ROCINN_CRB retrievals of cloud albedo. The differences in the
cloud optical thickness are symmetrical about the zero-bias line, whereas the
differences in the cloud albedo are slightly skewed towards negative values.</p>
</sec>
</sec>
<?pagebreak page417?><sec id="Ch1.S5">
  <label>5</label><title>Error characterisation</title>
      <p id="d1e3720">The accuracy of operational TROPOMI/S5P cloud products retrieved using OCRA
and ROCINN is dependent on a number of different error sources.</p>
      <p id="d1e3723">The most important sources of model parameter uncertainty in ROCINN are
errors on the assumed values for cloud fraction and surface albedo.
Associated cloud property retrieval errors due to this source are discussed
in detail in Schüssler et al. (2014). In summary, the findings are that the
cloud top height and cloud optical thickness can be accurately retrieved,
even when the cloud fraction is underestimated or overestimated by as much as
20–30 %. On the other hand, the cloud optical thickness retrievals are
quite sensitive to uncertainty in the surface albedo. The sensitivity study
from Schüssler et al. (2014) showed that deviations of <inline-formula><mml:math id="M197" display="inline"><mml:mo>±</mml:mo></mml:math></inline-formula>10 % in
the surface albedo introduce uncertainties of <inline-formula><mml:math id="M198" display="inline"><mml:mo>±</mml:mo></mml:math></inline-formula>5 in the cloud optical
thickness retrieval. The cloud retrievals are almost insensitive to cloud
geometrical thickness uncertainties. In particular, for deviations of
50 % in the cloud geometrical thickness, the retrieval errors in the
cloud top height and cloud optical thickness are lower than 0.4 and 2.0 km
respectively. Note that for the accurate retrieval of cloud geometrical
thickness from the O<inline-formula><mml:math id="M199" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M200" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band either multi-angular (Merlin et al., 2016)
or high-spectral-resolution (Richardson and Stephens, 2017) measurements are
needed.</p>
      <p id="d1e3756">Errors due to forward-model uncertainty are the hardest to quantify, as
these are due to sources such as mathematical discretisation choices and
physical simplifications. The most basic assumption is of course the use of
a simplified 1-D radiative transfer model as mandated by the IPA. Three-dimensional RTM of
atmospheres with clouds is notoriously difficult and time-consuming. With
the relatively small TROPOMI spatial footprint, horizontal inhomogeneity in
cloud fields will be an important consideration from both a geometrical
and the radiation perspective. Some results for a 3-D treatment with clouds
have been reported using Monte Carlo models (Marshak and Davis, 2005) and
more recently using stochastic RTM methods (Doicu et al., 2014). A detailed
analysis of the uncertainties induced by the assumption of IPA with 1-D RTM
can be found in a recently published paper (Efremenko et al., 2016); this
analysis is the first of its kind to quantify 3-D forward model and
retrieval errors in ozone and cloud properties derived from UVN
measurements. The results from Efremenko et al. (2016) indicate that the
1-D model generally underestimates radiances in the continuum of the oxygen
<inline-formula><mml:math id="M201" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band, while the radiances in the absorption peaks are basically the same.
As a consequence, the cloud optical thickness is systematically slightly
underestimated by retrievals based on the IPA, whereas the cloud top height
retrievals are generally unaffected. That paper also shows that use of the
IPA leads to systematic errors in the retrieved ozone height-resolved
partial columns.</p>
      <p id="d1e3766">The selection of a single liquid water cloud for the parametrisation of
clouds is a good approximation for describing light scattering by liquid cloud
droplets in the atmosphere. The probability of a photon scattering in the
forward direction is larger when a light beam at NIR wavelengths interacts
with a cloud droplet with effective radius of a few microns, and thus the
phase functions of water clouds can be well modelled by Mie theory
(Kokhanovsky, 2004). However, Mie theory is not adequate to describe
scattering by larger droplets of complex arbitrary shapes (e.g. ice
crystals), and consequently the phase function of ice clouds cannot be
modelled by spherical polydispersions (Takano and Liou, 1989, 1995;
Kokhanovsky, 2004). The associated errors can be assessed using radiative
transfer simulations based on ice scattering phase functions as input to the
ROCINN_CAL retrieval. The cloud optical thickness varies from 5 to
30, and the cloud height from 6 to 10 km. We
have found that the retrieved cloud top height is almost unaffected, with an
average error smaller than 2 % for all cases considered. The errors on
optical thickness are of the order of 1 % for thick clouds and are larger
for thin clouds with retrieved values of 6.06 compared to input optical
thickness of 5.0.</p>
      <?pagebreak page418?><p id="d1e3770">Another source of error in the forward model is the simple assumption of a
single cloud layer, since multi-layered clouds are often present in reality.
The most common such situation in the atmosphere occurs with two cloud
layers: one low-level cloud and a second mid-level cloud (Wang et al., 1999).
With a view to obtaining estimates of the uncertainties of ROCINN to such
double-layer conditions, we have simulated the radiances for a double-cloud-layer
model consisting of a mid-level cloud deck (altocumulus/altostratus) on
top of the low-level cloud. The upper layer has a top height of 6 km,
geometrical thickness of 2 km, and an optical thickness of 10 (Warren et al.,
1985).</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F5"><?xmltex \currentcnt{5}?><label>Figure 5</label><caption><p id="d1e3775">ROCINN-retrieved cloud properties for the first group of
simulations (i.e. a low cloud with cloud optical thickness of 25, cloud
geometrical thickness of 1 km, and cloud top height in the range 2–4 km,
plus a mid-level cloud having cloud optical thickness of 10, cloud top
height of 6 km, and cloud geometrical thickness of 2 km).</p></caption>
        <?xmltex \igopts{width=241.848425pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f05.pdf"/>

      </fig>

      <?xmltex \floatpos{t}?><fig id="Ch1.F6" specific-use="star"><?xmltex \currentcnt{6}?><label>Figure 6</label><caption><p id="d1e3786"><bold>(a)</bold> Retrieved cloud top height and cloud optical thickness from
ROCINN_CAL for the second group of simulations (i.e. a low
cloud with cloud top height of 2 km, cloud geometrical thickness of 1 km, and
cloud optical thickness in the range 2–30, plus a mid-level cloud with cloud
optical thickness of 10, cloud top height of 6 km, and cloud geometrical
thickness of 2 km). <bold>(b)</bold> Differences in cloud height retrieval between CRB and
CAL as a function of the optical thickness of the low cloud.</p></caption>
        <?xmltex \igopts{width=398.338583pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f06.pdf"/>

      </fig>

      <?xmltex \floatpos{t}?><fig id="Ch1.F7" specific-use="star"><?xmltex \currentcnt{7}?><label>Figure 7</label><caption><p id="d1e3802">Absolute errors in the cloud properties due to the presence of stray
light: <bold>(a)</bold> cloud height and cloud albedo errors for CRB and
<bold>(b)</bold> cloud top height and cloud optical thickness errors for CAL.</p></caption>
        <?xmltex \igopts{width=398.338583pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f07.pdf"/>

      </fig>

      <p id="d1e3818">The first group of simulation tests is based on a situation with a thick
low cloud having cloud optical thickness of 25 and a cloud top height varying
from 2 to 4 km below the mid-level cloud (see Fig. 5). We found that the
retrieved cloud optical thickness is not affected by the position of the
lower cloud, and the retrieved value was approximately 30. The accuracy of
the cloud top height retrieval seems to depend on the separation distance
between the two clouds (cloud bottom height of the upper cloud minus cloud top
height of the lower cloud). When the lower cloud is well separated from the
upper cloud, the error in the retrieved cloud top height becomes larger
(e.g. when the lower cloud has a top of 2 km, ROCINN_CAL retrieves a cloud
top height of approximately 4 km; when the lower cloud has a top of
3.5 km, the retrieved value is 4.4 km). In the second group of simulations,
the lower cloud has a top height of 2 km and optical thickness varying from
2 to 30 (see Fig. 6). Now, the mean retrieved cloud top height from
ROCINN_CAL was 4.3 km but with variations between 3.8 and 5.3 km. The
large cloud top height values were retrieved for an optically thin lower
cloud. However, in reality, with atmospheric scenes with two-layered clouds,
it is common that the lower cloud is thicker than the upper one (Warren et
al., 1985; Wang et al., 1999). In such cases (lower cloud optical thickness
&gt; 20), the cloud top height retrieved with ROCINN_CAL is below
4 km. The retrieved cloud optical thickness is absolutely dependent on the
cloud optical thickness of the lower cloud. For thick low clouds (cloud
optical thickness of 25–30), ROCINN retrieves a cloud optical thickness
which basically corresponds to the cloud optical thickness of the lower cloud
but with a small contribution of the second upper cloud (retrieved cloud
optical thickness of 29–32).</p>
      <p id="d1e3821">In Fig. 5, for all the simulations that were performed, the cloud height
retrieved from CRB was about 0.8 km lower than that retrieved from
CAL. Moreover, as seen in Fig. 6, the cloud height retrieved from ROCINN_CRB
is even less sensitive to the two-layered cloud when the lower cloud is
optically thinner. For very thin low clouds (with an optical thickness of <inline-formula><mml:math id="M202" display="inline"><mml:mo>∼</mml:mo></mml:math></inline-formula> 2),
the difference between retrieved cloud heights from CAL and from CRB
increased to as much as 1.6 km. Nevertheless, as stated above, when two
cloud layers co-exist in the same atmospheric column, usually the low-level
cloud is optically thicker than the mid-level cloud (Warren et al., 1985;
Wang et al., 1999).</p>
      <p id="d1e3831">From the TROPOMI calibration exercise, results have indicated that
instrumental errors such as signal-to-noise and radiometric uncertainties in
the UVN region are relatively small, although stray-light issues were
identified in the NIR band (Loots et al., 2018). Both the errors induced on retrieved cloud properties due
to NIR stray light and the precise knowledge of the slit function response
functions will be assessed when the instrument provides measurements from
space. However, in the absence of real measurements, the impact of stray
light in the oxygen <inline-formula><mml:math id="M203" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band has been initially assessed using a flat error
of 1.2 % in the radiances (Loots et al., 2018). The absolute errors on the cloud properties can be seen in
Fig. 7 for both CRB and CAL models. The retrievals from ROCINN_CRB are
almost unaffected by the presence of stray light, with a mean error of
0.003 km for cloud height and a mean error of 0.007 for cloud albedo. These
errors induced in the cloud parameter retrievals by ROCINN_CAL are higher,
with a mean cloud top height error of 0.3 km and a mean error of 1.0 for
cloud optical thickness.</p>
<sec id="Ch1.S5.SS1">
  <label>5.1</label><title>Coregistration inhomogeneity flag</title>
      <p id="d1e3848">An important source of error is the spatial misregistration between the
UV–VIS and NIR bands from TROPOMI. The combination of information from
different spectral bands is not as straightforward as it appears, since the
spatial regions covered by the ground pixels from different spectral bands do
not match exactly. One method for combining information from different bands
is by means of the TROPOMI<?pagebreak page419?> coregistration mapping tables, which contain the
fractions of overlapping areas between the source and target pixels (Sneep, 2015). For combinations based on OCRA UV bands
3, 4, and 5 and ROCINN NIR band 6, a static coregistration table suffices.
However, this method implies a smoothing of the source band products.</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F8"><?xmltex \currentcnt{8}?><label>Figure 8</label><caption><p id="d1e3853">Box-and-whisker plot of the OCRA cloud fraction difference using
RGB and GB colours retrieved using GOME-2 data from 1 July 2012. The
yellow boxes show the interquartile range, and median values are indicated as
red lines. The overall median difference is 0.025.</p></caption>
          <?xmltex \igopts{width=227.622047pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f08.pdf"/>

        </fig>

      <?xmltex \floatpos{t}?><fig id="Ch1.F9" specific-use="star"><?xmltex \currentcnt{9}?><label>Figure 9</label><caption><p id="d1e3864">OCRA cloud-free background for G <bold>(a)</bold> and B <bold>(b)</bold>
reflectances calculated using OMI data from the month of August for the years 2005–2007.</p></caption>
          <?xmltex \igopts{width=341.433071pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f09.png"/>

        </fig>

      <?pagebreak page420?><p id="d1e3880">For this purpose, a cloud coregistration inhomogeneity flag (CCIF) will be
included in the S5P cloud products. This is determined as follows. First, a
cloud coregistration inhomogeneity parameter (CCIP) is defined as the
weighted averaged gradient of cloud fractions:
            <disp-formula id="Ch1.E13" content-type="numbered"><label>13</label><mml:math id="M204" display="block"><mml:mrow><mml:msub><mml:mi mathvariant="normal">CCIP</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:mstyle displaystyle="true"><mml:mfrac style="display"><mml:mrow><mml:msub><mml:mo>∑</mml:mo><mml:mi>i</mml:mi></mml:msub><mml:msub><mml:mi mathvariant="italic">ω</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>j</mml:mi></mml:mrow></mml:msub><mml:mfenced close="|" open="|"><mml:mrow><mml:msub><mml:mi>f</mml:mi><mml:mrow><mml:mi>c</mml:mi><mml:mi>i</mml:mi></mml:mrow></mml:msub><mml:mo>-</mml:mo><mml:msub><mml:mi>f</mml:mi><mml:mrow><mml:mi>c</mml:mi><mml:mi>j</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:mfenced></mml:mrow><mml:mrow><mml:msub><mml:mo>∑</mml:mo><mml:mi>i</mml:mi></mml:msub><mml:msub><mml:mi mathvariant="italic">ω</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>j</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:mfrac></mml:mstyle><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
          where the weights <inline-formula><mml:math id="M205" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">ω</mml:mi><mml:mrow><mml:mi>i</mml:mi><mml:mi>j</mml:mi></mml:mrow></mml:msub></mml:mrow></mml:math></inline-formula> correspond to the coregistration mapping
values between UV bands (source, index <inline-formula><mml:math id="M206" display="inline"><mml:mi>i</mml:mi></mml:math></inline-formula>) and the NIR band (target, index
<inline-formula><mml:math id="M207" display="inline"><mml:mi>j</mml:mi></mml:math></inline-formula>). The CCIF is defined as
            <disp-formula id="Ch1.E14" content-type="numbered"><label>14</label><mml:math id="M208" display="block"><mml:mrow><mml:msub><mml:mi mathvariant="normal">CCIF</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:msub><mml:mi mathvariant="normal">CCIP</mml:mi><mml:mi>j</mml:mi></mml:msub><mml:mo>&gt;</mml:mo><mml:mi>p</mml:mi><mml:mo>,</mml:mo></mml:mrow></mml:math></disp-formula>
          where <inline-formula><mml:math id="M209" display="inline"><mml:mi>p</mml:mi></mml:math></inline-formula> is a fixed threshold which has been set to 0.4 as the baseline,
following extensive testing using the VIIRS (Visible/Infrared Imager and Radiometer Suite) cloud product on board
the Suomi NPP (NPOESS Preparatory Project)
resampled to the TROPOMI spatial grid.</p>
</sec>
</sec>
<sec id="Ch1.S6">
  <label>6</label><title>Application to OMI and GOME-2 and comparison with independent
retrievals</title>
      <p id="d1e4017">The operational OCRA and ROCINN cloud algorithms presented in this paper
have been fully implemented and tested in the TROPOMI/S5P operational
processor UPAS under development at DLR. The resulting output files will
follow the same netCDF format structure used for all the S5P L2 products.
The main outputs are the cloud products retrieved with OCRA and
ROCINN_CAL, while the ROCINN_CRB retrievals
are to be reported in the detailed results group. For more information, the
reader is referred to the S5P Cloud Product User Manual (Pedergnana et al.,
2016).</p>
      <p id="d1e4020">In this section we present the results obtained through application of the
TROPOMI/S5P cloud algorithms implemented in UPAS to measurements from OMI
and GOME-2.</p>
<sec id="Ch1.S6.SS1">
  <label>6.1</label><?xmltex \opttitle{Comparison of OCRA\_RGB and OCRA\_GB using
GOME-2}?><title>Comparison of OCRA_RGB and OCRA_GB using
GOME-2</title>
      <p id="d1e4031">The two-colour OCRA_GB model was tested against the three-colour OCRA_RGB
model. The overall median cloud fraction difference is 0.026 and the mean
0.032 for a single day of GOME-2A measurements from 1 July 2012. For cloud
fractions smaller than 0.1 the median and mean differences are 0.007 and
0.015 respectively.</p>
      <p id="d1e4034">Figure 8 shows the cloud fraction differences in a box-and-whisker plot. The
bottom, inside band, and top of the box are the first, median, and third
quartiles of the differences respectively.</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F10" specific-use="star"><?xmltex \currentcnt{10}?><label>Figure 10</label><caption><p id="d1e4039">Cloud fraction retrieved with <bold>(a)</bold> OCRA, <bold>(b)</bold>
OMAERUV, <bold>(c)</bold> OMCLDO2, and <bold>(d)</bold> OMCLDRR from OMI measurements
on 16 July 2005.</p></caption>
          <?xmltex \igopts{width=483.69685pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f10.pdf"/>

        </fig>

      <?xmltex \floatpos{t}?><fig id="Ch1.F11" specific-use="star"><?xmltex \currentcnt{11}?><label>Figure 11</label><caption><p id="d1e4063">Comparison of cloud fraction zonal means for results from the four
OMI algorithms as seen in Fig. 10 and from the MODIS measurements regridded
to the corresponding OMI ground pixels. The left panel shows only
measurements over ocean, while the right panel shows only measurements over
land.</p></caption>
          <?xmltex \igopts{width=483.69685pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f11.pdf"/>

        </fig>

</sec>
<sec id="Ch1.S6.SS2">
  <label>6.2</label><title>Comparison of OCRA with OMI and MODIS cloud fractions</title>
      <p id="d1e4080">As part of the S5P project we have adapted the OCRA algorithm to the OMI
sensor (the precursor of TROPOMI).</p>
      <p id="d1e4083">OMI is a nadir-viewing push-broom spectrometer observing solar backscatter
radiation in the ultraviolet and visible<?pagebreak page421?> wavelength range up to 500 nm
(Levelt et al., 2006). The swath width is 2600 km on the ground, encompassing
more than 60 across-track pixels. The highest spatial resolution of
13 <inline-formula><mml:math id="M210" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 24 km<inline-formula><mml:math id="M211" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:math></inline-formula> (in normal mode) is achieved for the nadir pixels.
OMI was launched in 2004 on the NASA Aura satellite platform.</p>

      <?xmltex \floatpos{t}?><fig id="Ch1.F12" specific-use="star"><?xmltex \currentcnt{12}?><label>Figure 12</label><caption><p id="d1e4104">Cloud
top height <bold>(a)</bold> and cloud optical thickness <bold>(b)</bold> retrieved
with ROCINN_CAL, cloud height <bold>(c)</bold> and cloud albedo
<bold>(d)</bold> retrieved with ROCINN_CRB from GOME-2A measurements on
1 July 2012. The cloud height is displayed in metres, and a logarithmic scale
is used for the optical thickness.</p></caption>
          <?xmltex \igopts{width=483.69685pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f12.png"/>

        </fig>

      <?xmltex \floatpos{t}?><fig id="Ch1.F13"><?xmltex \currentcnt{13}?><label>Figure 13</label><caption><p id="d1e4128">Histogram of the absolute differences between the GOME-2A cloud
heights derived from ROCINN_CAL and ROCINN_CRB as seen in Fig. 12.</p></caption>
          <?xmltex \igopts{width=213.395669pt}?><graphic xlink:href="https://amt.copernicus.org/articles/11/409/2018/amt-11-409-2018-f13.pdf"/>

        </fig>

      <p id="d1e4137">The first step is the calculation of a monthly OCRA cloud-free background
data set as described in Sect. 3.2; this was based on 3.5 years of OMI
measurements from January 2005 to June 2008. The OMI cloud-free background
data set for the month of August is shown in Fig. 9. Note that OMI is
extremely stable, with almost no instrument degradation – this facilitates
significantly the calculation of the OCRA cloud-free backgrounds.</p>
      <p id="d1e4140">The temporal resolution is 1 month; i.e. for a given grid cell, all
measurements from a given month are aggregated in order to reflect seasonal
surface variations. Finally, all data from the years 2005, 2006, 2007, and
2008 are considered for the final monthly maps. The spatial grid resolution
is 0.2<inline-formula><mml:math id="M212" display="inline"><mml:msup><mml:mi/><mml:mo>∘</mml:mo></mml:msup></mml:math></inline-formula> latitude by 0.4<inline-formula><mml:math id="M213" display="inline"><mml:msup><mml:mi/><mml:mo>∘</mml:mo></mml:msup></mml:math></inline-formula> longitude. The cloud-free
reflectance value for any given time and geolocation is found via linear
interpolation between the two adjacent monthly cloud-free maps. This linear
interpolation between monthly maps was found to give the best trade-off
between the necessity to have as many measurements as possible per grid cell
in order to ensure a cloud-free situation (i.e. a long timescale is desired)
and the requirement to be sensitive to rapid changes in the<?pagebreak page422?> surface
conditions such as snowfall or melting (i.e. a short timescale is desired).</p>
      <p id="d1e4161">Secondly, the scaling and offset factors are computed following the procedure
described in Sect. 3.3. The resulting scaling factors are
<inline-formula><mml:math id="M214" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">α</mml:mi><mml:mi>B</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:mn mathvariant="normal">2.88</mml:mn></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M215" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">α</mml:mi><mml:mi>G</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:mn mathvariant="normal">2.14</mml:mn></mml:mrow></mml:math></inline-formula>, and the offset
factors are <inline-formula><mml:math id="M216" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">β</mml:mi><mml:mi>B</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:mn mathvariant="normal">0.0138</mml:mn></mml:mrow></mml:math></inline-formula> and <inline-formula><mml:math id="M217" display="inline"><mml:mrow><mml:msub><mml:mi mathvariant="italic">β</mml:mi><mml:mi>G</mml:mi></mml:msub><mml:mo>=</mml:mo><mml:mn mathvariant="normal">0.0180</mml:mn></mml:mrow></mml:math></inline-formula>.</p>
      <p id="d1e4224">For the comparison with MODIS, we used the following cloud products:
<list list-type="bullet"><list-item>
      <p id="d1e4229">The OMAERUV product, provided by O. Torres. The cloud fraction is an
ancillary product from the absorbing aerosol index algorithm based on OMI
radiances at 388  and 354 nm (Torres et al., 2007).</p></list-item><list-item>
      <p id="d1e4233">The OMCLDO2 product version 2.0, provided by P. Veefkind. The cloud fraction
of this product is based on the OMI O<inline-formula><mml:math id="M218" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula>–O<inline-formula><mml:math id="M219" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> absorption feature around
477 nm (Veefkind et al., 2016).</p></list-item><list-item>
      <p id="d1e4255">The OMCLDRR product, taken from the OMMYCLD
product version 003 (OMI/Aura and MODIS/Aqua Merged Cloud Product 1-Orbit L2 Swath
13 <inline-formula><mml:math id="M220" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 24 km<inline-formula><mml:math id="M221" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:math></inline-formula> V003, Greenbelt, MD, USA, Goddard Earth Sciences
Data and Information Services Center (GES DISC), last access:
26 October 2016). This OMI cloud fraction is derived at 354 nm, where the
contribution of Raman scattering is minimal.</p></list-item><list-item>
      <p id="d1e4275">The MODIS product co-located to OMI footprints from the OMMYDCLD product
version 003. This product provides the OMI/Aura and MODIS/Aqua merged cloud
products. No MODIS/Terra data are incorporated here. Since both Aura and Aqua
are part of the A-train, the overpass times are comparable (the separation
between Aura and Aqua is 8 min).</p></list-item></list></p>
      <p id="d1e4278">Figure 10 shows the global cloud maps obtained with OCRA, OMAERUV, OMCLDO2,
and OMCLDRR from OMI measurements on 16 July 2005; the four algorithms
generate similar cloud features.</p>
      <p id="d1e4282">A quantitative comparison of the zonal mean cloud fractions from OMI and
those derived with MODIS is<?pagebreak page423?> presented in Fig. 11. The UV sensors are less
sensitive to optically thin clouds than thermal infrared sensors; as
expected, MODIS generates larger cloud fractions compared to those from OMI.
The cloud fractions of OMCLDO2 and OMCLDRR are similar because both
algorithms assume a fixed cloud albedo or reflectance of 0.8 for the
retrieval, but overall the cloud albedo is significantly smaller (e.g. Lelli
et al., 2012, report a mean global cloud albedo value of 0.63 based on GOME
data from 1996–2003), and therefore the retrieved effective cloud fractions
are significantly smaller than the MODIS geometrical cloud fractions. On the
other hand, OCRA and OMAERUV do not need to assume a fixed cloud albedo, and
their retrieved cloud fractions are larger than those from OMCLDO2 and
OMCLDRR. OCRA and OMAERUV report cloud fraction values more representative of
the radiometric cloud fraction based on top-of-atmosphere radiances measured by the
instrument. We should emphasise here that a direct comparison between the
MODIS geometric cloud fraction and the OMI-derived radiometric or effective
cloud fractions should be treated with caution.</p>
</sec>
<sec id="Ch1.S6.SS3">
  <label>6.3</label><title>Comparison of ROCINN cloud top height and optical thickness from
GOME-2</title>
      <p id="d1e4294">In preparation for S5P we have applied the ROCINN_CAL
algorithm to GOME-2, and in this section we present for the first time the
resulting cloud parameter retrievals.</p>
      <p id="d1e4297">GOME-2 is a nadir-viewing optical
spectrometer that senses Earth's backscattered radiance and solar irradiance
at UV–VIS–NIR wavelengths in the range 240–790 nm (Munro et al., 2016). The
nominal full GOME-2 swath has a width of 1920 km in the direction
perpendicular to the flight direction, and a single scan line has an extension
of 40 km in the flight direction. The ground pixels have a spatial
resolution of 80 <inline-formula><mml:math id="M222" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 40 km<inline-formula><mml:math id="M223" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:math></inline-formula>. In addition, broadband PMDs provide an eightfold higher spatial
resolution, i.e. 10 <inline-formula><mml:math id="M224" display="inline"><mml:mo>×</mml:mo></mml:math></inline-formula> 40 km<inline-formula><mml:math id="M225" display="inline"><mml:msup><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msup></mml:math></inline-formula> for a selection of 15 spectral
windows. Currently there are two GOME-2 operational sensors on board the
EUMETSAT MetOp-A and MetOp-B satellites launched in 2006 and 2012
respectively; both GOME-2 sensors are operated in tandem, providing global
measurements on a daily basis. A third GOME-2 sensor on board MetOp-C will be
launched in 2018.</p>
      <p id="d1e4332">The VLIDORT line-by-line RTM simulations described in Sect. 4.4 are convolved
with the GOME-2 instrumental spectral response functions, and these results are then used
to train a neural network that accurately approximates the O<inline-formula><mml:math id="M226" display="inline"><mml:msub><mml:mi/><mml:mn mathvariant="normal">2</mml:mn></mml:msub></mml:math></inline-formula> <inline-formula><mml:math id="M227" display="inline"><mml:mi>A</mml:mi></mml:math></inline-formula>-band
reflectances (Loyola et al., 2016). As noted in Sect. 4.5, the ROCINN cloud
top height and optical thickness are retrieved using the Tikhonov inversion,
taking as input the OCRA cloud fraction computed from the GOME-2 PMD
measurements (Lutz et al., 2016).</p>
      <p id="d1e4351">Figure 12 shows the global cloud maps obtained with ROCINN_CAL and
ROCINN_CRB from GOME-2A (GOME-2 on MetOp-A) measurements taken on
1 July 2012. As expected from the retrievals with synthetic data (Sect. 4.7)
the cloud height retrieved using ROCINN_CRB is smaller than that retrieved
using ROCINN_CAL; the CRB model retrieves the centroid of the cloud and not
the cloud top (Joiner et al., 2012). The cloud optical thickness from
ROCINN_CAL nicely correlates with the cloud albedo from ROCINN_CRB.</p>
      <p id="d1e4355">The histogram of absolute differences between the GOME-2A cloud heights on
1 July 2012 obtained with ROCINN_CAL and ROCINN_CRB is presented in
Fig. 13. The CRB model underestimates the cloud top height with a median
difference of 0.92 <inline-formula><mml:math id="M228" display="inline"><mml:mo>±</mml:mo></mml:math></inline-formula> 0.75 km. These results are consistent with the
retrievals obtained using synthetic data from Sect. 4.7.</p>
      <p id="d1e4365">The diagnostic quantities DFS and SIC for the test case of 1 July 2012 were
found to lie in the ranges 1.2–4 and 2–11 respectively for ROCINN_CAL.
These values are lower than those obtained for ROCINN_CRB (DFS between 2.1
and 4.3, SIC in the range 4–17), showing that the CAL-retrieved cloud
quantities depend more on the a priori information.</p>
</sec>
</sec>
<sec id="Ch1.S7" sec-type="conclusions">
  <label>7</label><title>Conclusions</title>
      <p id="d1e4377">We have presented the latest versions of the retrieval algorithms OCRA and
ROCINN to be used for the generation of the operational TROPOMI/S5P cloud
products: cloud fraction, cloud top height (pressure), and optical thickness
(albedo).</p>
      <p id="d1e4380">In UPAS, special effort has been directed to optimising the run-time
performance of the algorithms in order to cope with the “big data” expected
from TROPOMI (around 21 million ground pixels daily, with 1.5 million pixels
per orbit). The operational cloud retrievals are extremely fast and accurate:
the OCRA cloud fraction is computed using a simple expression (Eq. 3), while
the time-consuming generation of the cloud-free composite is done offline.
Similarly the complex and computationally expensive line-by-line RTM
calculations needed for the ROCINN retrieval of cloud top height and optical
thickness are replaced by fast artificial neural networks trained using the
smart sampling and incremental function learning techniques (Loyola et al.,
2016).</p>
      <p id="d1e4383">The OCRA and ROCINN algorithms are integrated in the S5P operational
processor UPAS for the generation of near-real-time and offline products.
In this paper we have shown that UPAS cloud properties retrieved from OMI
and GOME-2 measurements provide a good basis for anticipated retrievals from
TROPOMI measurements themselves.</p>
      <p id="d1e4386">The algorithms presented in this paper will be used during the S5P
commissioning phase. The operational TROPOMI cloud products will be
validated using ground-based measurements of cloud radar and microwave
radiometer instruments available at CloudNet stations and using cloud
products from VIIRS on board the Suomi NPP satellite of NASA/NOAA; the S5P
orbit will trail 5 min behind Suomi NPP.</p>
      <?pagebreak page424?><p id="d1e4390">A number of future algorithm developments are planned once the TROPOMI data
become available after the S5P launch: the spatial misregistration between
the UV–VIS and NIR bands will be characterised and the possibility of a
correction will be investigated, the effects of TROPOMI stray light in NIR on
the cloud retrievals will be analysed, and a cloud-free background data set
based on TROPOMI/S5P will be generated once the first full year of
measurements becomes available; this will replace the initial cloud-free
background data based on OMI.</p>
      <p id="d1e4393">The OCRA and ROCINN cloud parameters will be used for enhancing the accuracy
of the operational TROPOMI/S5P trace gas products total ozone (Loyola et al.,
2017), formaldehyde, and sulfur dioxide (Theys et al., 2016). OCRA and
ROCINN will be also used for the generation of operational cloud products
from the geostationary Copernicus atmospheric composition mission Sentinel-4
(S4). In this way, cloud products from atmospheric composition missions S5P
and S4 will be consistent, and together they will extend for the next 2
decades the unique UVN cloud data record (Loyola et al., 2010) initiated over
20 years ago with GOME/ERS-2.</p>
</sec>

      
      </body>
    <back><notes notes-type="dataavailability"><title>Data availability</title>

      <p id="d1e4400">The operational Copernicus Sentinel-5 Precursor products,
including the cloud properties described in this paper, are generated at DLR and will be freely available via ESA.</p>
  </notes><notes notes-type="competinginterests"><title>Competing interests</title>

      <p id="d1e4406">The authors declare that they have no conflict of
interest.</p>
  </notes><notes notes-type="sistatement"><title>Special issue statement</title>

      <p id="d1e4412">This article is part of the special issue “TROPOMI on Sentinel-5
Precursor: data products and algorithms”. It is not affiliated with a
conference.</p>
  </notes><ack><title>Acknowledgements</title><p id="d1e4418">Two co-authors are no longer affiliated with DLR: Sebastián Gimeno
García (now at EUMETSAT, Darmstadt, Germany) and Olena Schüssler.</p><p id="d1e4420">Thanks to the S5P L2WG cloud verification team, in particular Holger Sihler
(MPIC) and Luca Lelli (IUP-UB) for helpful comments. Thanks to Omar Torres
(NASA), Joanna Joiner (NASA), and Pepijn Veefkind (KNMI) both for providing
the OMI and MODIS cloud data used in our OCRA comparisons and for a
number of helpful discussions. Thanks to KNMI/NASA for the OMI level 1
products and EUMETSAT for the GOME-2 level 1 products used in this paper.</p><p id="d1e4422">This work has been performed in the framework of the TROPOMI/S5P project. We
acknowledge financial support from Bayerisches Staatsministerium für
Wirtschaft und Medien, Energie und Technologie (grant 0703/89373/15/2013);
from DLR programmatic (S5P KTR 2 472 046) for the S5P algorithm development;
and from the ESA S5P L2WG project (contract no.: 4000107711/13/NL/IB) for the
S5P operational processor development.</p><p id="d1e4424">Finally, the authors thank three anonymous reviewers for their fruitful
input and suggestions which have helped to improve this manuscript.
<?xmltex \hack{\newline}?><?xmltex \hack{\newline}?>
The article processing charges for this open-access <?xmltex \hack{\newline}?> publication  were covered by a Research <?xmltex \hack{\newline}?> Centre of the Helmholtz Association.
<?xmltex \hack{\newline}?><?xmltex \hack{\newline}?>
Edited by: Joanna Joiner<?xmltex \hack{\newline}?>
Reviewed by: three anonymous referees</p></ack><ref-list>
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    <!--<article-title-html>The operational cloud retrieval algorithms from TROPOMI on board Sentinel-5 Precursor</article-title-html>
<abstract-html><p>This paper presents the operational cloud retrieval algorithms for
the TROPOspheric Monitoring Instrument (TROPOMI) on board the European Space
Agency Sentinel-5 Precursor (S5P) mission scheduled for launch in 2017.</p><p>Two algorithms working in tandem are used for retrieving cloud properties:
OCRA (Optical Cloud Recognition Algorithm) and ROCINN (Retrieval of Cloud
Information using Neural Networks). OCRA retrieves the cloud fraction using
TROPOMI measurements in the ultraviolet (UV) and visible (VIS) spectral regions, and ROCINN retrieves the
cloud top height (pressure) and optical thickness (albedo) using TROPOMI
measurements in and around the oxygen <i>A</i>-band in the near infrared (NIR).</p><p>Cloud parameters from TROPOMI/S5P will be used not only for enhancing the
accuracy of trace gas retrievals but also for extending the satellite data
record of cloud information derived from oxygen <i>A</i>-band measurements, a record
initiated with the Global Ozone Monitoring Experiment (GOME) on board the second European Remote-Sensing Satellite (ERS-2) over 20 years ago.</p><p>The OCRA and ROCINN algorithms are integrated in the S5P operational
processor UPAS (Universal Processor for UV/VIS/NIR Atmospheric
Spectrometers), and we present here UPAS cloud results using the Ozone Monitoring Instrument (OMI) and GOME-2
measurements. In addition, we examine anticipated challenges for the
TROPOMI/S5P cloud retrieval algorithms, and we discuss the future validation
needs for OCRA and ROCINN.</p></abstract-html>
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