Description of the MPI-Mainz H2O retrieval (Version 5.0, March 2011) Thomas Wagner, Steffen Beirle, Kornelia Mies Contact: Thomas Wagner MPI for Chemistry Joh.-Joachim-Becher-Weg 27 D-55128 Mainz Germany Phone: +49 (0)6131 305267 Fax: +49 (0)6131 305388 email: [email protected] Content: • • • • • • Description of the retrieval Choice of the settings for the DOAS fitting Saturation correction Correction for effects of different profile shapes of O2 ans H2O Selection of mostly cloud-free observations Validation 1 Description of the retrieval H2O columns have been retrieved from ERS-2 GOME and ENVISAT SCIAMACHY instruments by various groups using different settings (Noël et al., 1999, 2000, 2002, 2004, 2005, 2008; Mieruch et al., 2008; Casadio et al., 2000; Maurellis et al., 2000; Lang et al., 2003; 2004; Lang, 2003; Wagner et al., 2003, 2005, 2006). These algorithms differ not only in the used wavelength ranges (see Fig. 1), but also in the complexity of the retrievals. Most of the algorithms make use of simultaneously retrieved O 2 or O4 absorptions to correct for the influence of clouds. A general feature is that a modified DOAS type retrieval has to be performed, because the strong and narrow-band H 2O (and O2) absorption lines are not fully resolved by the instrument. The respective modifications are either applied in the spectral retrieval (e.g. weighting function modified DOAS) or appropriate corrections are successively applied. The SCIAMACHY water vapor retrieval described in this document analyses the H 2O and O2 absorptions in the red spectral range (614-683nm). Our water vapor product was developed with the aim to study time series and temporal trends of the atmospheric water vapor content with high accuracy. Thus no a-priori information or information from external data sets is included in our algorithm. On the other hand, this approach has also some drawbacks, especially relatively large uncertainties of individual observations mainly related to clouds. In principle, satellite observations in the visible and NIR spectral range are sensitive to the whole tropospheric H2O column. However, especially due to the shielding effect of clouds, the sensitivity for the surface-near layers can be systematically reduced. In the current version of our retrieval, the height-dependent sensitivity can not be quantified (e.g. by averaging kernels), because no explicit radiative transfer simulations are applied (see below). However, the rather good agreement with independent data sets (see below) indicates that H 2O concentrations close to the surface are well captured by our retrievals. After the spectral retrieval the derived initial trace gas SCDs are corrected for the spectral saturation effect and finally converted into total atmospheric VCDs. Wavelength ranges for different H2O analyses Lang et al., 2007 Lang et al., 2002 Wagner et al., 2003 Noel et al., 1999 Casadio et al., 2000 Fig. 1 Wavelength ranges for H2O analyses used by different research groups 2 Choice of the settings for the DOAS fitting The fitting parameters used for the processing of SCIAMACHY spectra are based on those used for the analysis of GOME-1 observations [Wagner et al., 2003; 2005; 2006]. In the chosen spectral range, medium strong absorption lines of H2O (around 650nm) and O2 (around 630nm) exist. Compared to other spectral ranges (see Fig. 1), these absorptions are still strong enough to ensure a high signal to noise ratio. At the same time, they are substantially weaker than e.g. at longer wavelength ranges, thus avoiding strong nonlinearities in the spectral fitting process. Another advantage of the selected fitting range is that it includes also an absorption band of the oxygen dimer O4 (at 630nm). Besides the trace gas reference spectra, also several other spectra are included in the spectral fitting process. First, a synthetic Ring spectrum is included to correct for the so called Ring effect caused by inelastic Raman scattering on air molecules. In addition, also three reference spectra for different vegetation types are included. Especially over surfaces with strong vegetation, it turned out that spectral features caused by vegetation show strong interference with the atmospheric absorbers [Wagner et al., 2007]. Since the vegetation spectra describe the spectral reflectance, the natural logarithm of the reflectance spectra are used in the spectral fitting. To correct for possibly non-perfect polarisation correction of the SCIAMACHY spectra, also two polarisation sensitivity spectra from the keydata are included in the spectral analysis. Finally, an inverse solar spectrum is included to correct for possible intensity offsets, e.g. caused by instrumental straylight. The parameters for the spectral analysis are summarized in Table 1. An example of the spectral DOAS analysis is shown in Fig. 2. The absorption structures of O2, H2O and O4 are clearly visible. The residual contains noise, but also systematic features at 630nm and 650nm caused by imperfect match of the O 2 absorption. However, compared to the total strength of the O 2 and H2O absorptions these features are weak. From the spectral retrieval, also the fitting errors (standard deviation) are determined and stored in the data files (see product specification document). Also an estimate for the total error is given, which takes into account the individual fitting errors and the effect of clouds (see product specification document). Fig. 2 Example of a spectral DOAS analysis. Displayed are the fitted reference spectra (black lines) scaled to the respective spectral structures in the measured spectrum (red). 3 Table 1. DOAS settings used for H2O spectral retrieval Property Fitting interval Sun reference Wavelength calibration Selected parameter 614-683.2nm nm SCIAMACHY Sun irradiance Wavelength calibration of sun reference optimized by NLLS adjustment on convolved Kurucz solar spectrum1. Remarks Absorption cross-sections H2O HITRAN 2006 (Rothmann et al.) 290K, convoluted with wavelength dependent instrument function O2 HITRAN 2004 (Rothmann et al.) 290K, convoluted with wavelength dependent instrument function O4 Greenblatt et al., 1990 Interpolated Additional spectra Ring spectrum Synthetic Ring spectrum calculated from sun spectrum using the MFC software (Gomer et al., 1993) Conifers ASTER Spectral Library through the courtesy of the Jet Propulsion Laboratory, California Institute of Technology, http://speclib.jpl.nasa.gov/ Logarithm, interpolated Grass ASTER Spectral Library through the courtesy of the Jet Propulsion Laboratory, California Institute of Technology, http://speclib.jpl.nasa.gov/ Logarithm, interpolated Decidous ASTER Spectral Library through the courtesy of the Jet Propulsion Laboratory, California Institute of Technology, http://speclib.jpl.nasa.gov/ Logarithm, interpolated ZETA_NAD instrument keydata Interpolated2 OBM_s_p instrument keydata Interpolated2 Polynomial 3rd order (4 parameters) Intensity offset correction Inverse solar spectrum3 1 Kurucz, R.L., I. Furenlid, J. Brault, and L. Testerman, Solar flux atlas from 296 nm to 1300 nm, National Solar Observatory Atlas No. 1, 1984. 2 keydata version 3.1 3 from SCIAMACHY solar spectrum 4 Saturation correction Before the retrieved H2O SCD is converted into a vertical column density, a correction of the non-linearity caused by the limited spectral resolution of the instrument is performed. For that purpose, the non-linearity is quantitatively described by modeling of the DOAS analysis procedure. First, a high-resolved absorption spectrum is calculated from the high resolved H2O cross section applying the Lambert-Beer law: I( λ ) = I 0 ( λ ) ⋅ exp(−SCD H 2O ,true ⋅ σ O 2 ( λ ) Here, a set of realistic H2O SCDs (SCDH2O,true) has to be assumed. Then, the respective absorption spectra (and the H2O absorption cross section) are convoluted with the SCIAMACHY instrument function. Finally, the convoluted spectra are analysed using the exact DOAS-settings as used for the analysis of the measured spectra. The fit yields a H 2O SCD (H2Ofit), which is smaller than the originally assumed H 2Otrue. For small SCDs, H2Ofit depends almost linearly on H2Otrue. However, for larger SCDs, H 2Ofit is systematically smaller than H2Otrue. Fig. 3 shows the relationship of both SCDs. The determined relationship is used to correct the H2Ofit determined in the DOAS fit to get the true atmospheric H 2O SCD (H2Otrue). A similar correction is also applied to the retrieved O 2 SCD (Fig. 4). The formulae for the saturation corrections are: SCDH2O,true = 1.51196 ⋅ 10-24 * (SCDH2O,fit)2 + 9.62779 ⋅ 10-1 * SCDH2O,fit + 5.17495 ⋅ 10+20 SCDO2,true = 1.0063790 ⋅ 10-51 * (SCDO2,fit)3 + 2.5049862 ⋅ 10-26 * (SCDO2,fit)2 + 9.4507654 ⋅ 10-1 * SCDO2,fit + 1.0617513 ⋅ 10+23 For the conversion of O2 SCDs to O2 AMFs a O2 VCD of 4.5657 ⋅ 1024 was assumed. 3E+23 Measured H2O SCD [molec/cm²] y = 7E-49x3 - 1E-24x2 + 0.9902x + 1E+20 2 R =1 2E+23 1E+23 0 0 1E+23 2E+23 3E+23 4E+23 True H2O SCD [molec/cm²] Fig. 3 Dependence of the retrieved H2O SCD on the true H2O SCD. 5 5E+23 AMF from spectral analysis 5 4 3 2 1 0 0 1 2 3 4 5 6 7 8 Modelled AMF Fig. 4 Dependence of the retrieved O2 SCD on the true O2 SCD. The SCD is expressed as air mass factor here, because the atmospheric O2 VCD is almost constant. Correction for effects of different profile shapes of O2 and H2O In the last step, the corrected H2O SCD is converted into the H2O VCD. For this purpose, a measured AMF is used based on the retrieved O2 SCD (Wagner et al., 2003, 2005, 2006). Since the atmospheric O2 VCD is (almost) constant, the ratio of the retrieved (corrected) O 2 SCD and the O2 VCD yields the measured AMF for a given observation. The application of a measured AMF has the important advantage that the necessary information especially on the effects of clouds is taken from the satellite observation itself. However, this correction has also its limitations. First, since the relative profiles of H 2O and O2 are systematically different, the respective AMF show also systematic differences, with the O 2 AMF being higher than the H2O AMF. This effect is accounted for by applying a correction function (depending on the solar zenith angle, viewing geometry and the surface albedo) to the retrieved H 2O VCD (see Figs. 5 and 6). These correction functions is derived from radiative transfer calculations based on an average (relative) H2O profile (see Fig. 7) calculated from average profiles of lapse rate and relative humidity (see Wagner et al., 2006) and an O 2 profile from the US standard atmosphere. Note that the original correction function was calculated a surface albedo of 2% and cloud free conditions. Similar results were obtained assuming more realistic values of 3% (over ocean) and a cloud fraction of 5% (cloud with OD of 50 between 1 and 4km altitude). Finally, another correction function for the effect of changing surface albedo is applied to the H2O VCDs (see Fig. 8). Note that this correction was not applied in the first version of our retrieval (Wagner et al., 2006). The surface albedo used for the correction is taken from monthly varying albedo maps, which are composite of albedo derived from GOME-1 observations (Koelemeijer et al., 2003) for high latitude (>50°), and SCIAMACHY observations (Grzegorski, 2009) at mid and low latitudes (<40°). For the transition between 40° and 50°, both products are interpolated linearly. Over ocean, the albedo is set to 3%. An example for January is shown in Fig. 9. It should be noted that especially for observations over low layer clouds with large cloud fractions, the effect of the different relative profile shapes can cause large errors (up to more than 100%). However, for high clouds and especially low cloud fractions, the relative cloud effect on the O2 and H2O absorptions is similar and the application of the measured AMFs leads to more accurate results. 6 7 Ratio O2 AMF / H2O AMF 6 5 4 3 2 1 0 0 10 20 30 40 50 60 70 80 90 SZA [°] Fig. 5 Ratio of the AMF for O 2 and H2O as a function of the solar zenith angle (nadir viewing direction). The ratio is determined from radiative transfer simulations assuming a H 2O profile as shown in Fig. 7. 3.5 SZA: 0° Reihe1 20° Reihe2 40° Reihe3 50° Reihe4 60° Reihe5 70° Reihe6 75° Reihe7 80° Reihe8 3 Ratio 2.5 2 1.5 1 -150 -130 -110 -90 LOS angle -70 -50 -30 Fig. 6 Dependence of the correction factor on the line of sight (LOS) angle of the satellite instrument for different solar zenith angles. Here only values for a relative azimuth angle of zero are shown for simplicity. In the retrieval, however, the actual relative azimuth angle of individual measurements is taken into account. Note that for SCIAMACHY (and GOME-1), only LOS between about –120 and –60° occur. Larger deviations of the LOS angles from – 90° occur for GOME-2. 7 Fig. 7 H2O profile used for the radiative transfer calculations (see Wagner et al., 2006). For tropical regions a H2O VCD of 2 ⋅ 1023 molec/cm² and for polar regions a H2O VCD of 3 ⋅ 1022 molec/cm² was assumed. 2.5 Correction factor 2 1.5 1 0.5 0 0 0.2 0.4 0.6 0.8 1 Surface albedo Fig. 8 Correction function taking into account the surface albedo (the H 2O VCDs are divided by this function). 8 Fig. 9 Surface albedo in the red spectral range for January. Since our H2O data product is not based on explicit radiative transfer calculations for individual measurements, a straight forward estimation of the product uncertainty is difficult. However, in the product, a total error is given based on four potential error sources: -the fit error of H2O -the fit error of O2 -general uncertainties of the spectral retrieval, e.g. related to uncertainties of the spectroscopic data. This error is estimated to 10%. -uncertainties related to radiative transfer effects, especially due to clouds. For this uncertainty, an empirical formula taking into account the measured O2 SCD is used: errRTM = (SCDO2,meas - SCDO2,max(SZA)*1.16)/2 ⋅ 1025molec/cm² This error increases with decreasing O2 SCD (indicating strong cloud shielding). Note that this formula can only provide a rough estimate. However, from sensitivity studies (e.g. Wagner et al., 2005, 2006) it was shown that for measurements with low O 2 SCDs the retrieved H2O VCDs systematically underestimate the true H2O VCD (see also next section). The total (relative) error is derived from the individual error terms by the following formula: 2 2 errrel,total = fit H 2 O + fit O 2 + 0.12 + errRTM 2 Selection of mostly cloud-free observations Since most of the atmospheric H2O column density is located close to the surface, cloud shielding has a strong influence on the retrieved H2O VCD (see Wagner et al., 2005). For 9 large cloud fractions, the satellite observations typically underestimate the true H2O VCDs. Thus, for the SCIAMACHY H2O product, only (mostly) cloud-free observations are selected. To identify strong cloud effects, we consider the simultaneously retrieved O2 SCD. Only satellite observations are considered, for which the retrieved O2 SCD is above 80% of the maximum O2 SCD for the respective solar zenith angle (SZA), see Figs. 10 and 11. Optical depth O2 absorption 0.3 0.25 0.2 0.15 0.1 0.05 0 10 20 30 40 50 60 70 80 90 SZA Fig 10 Measured optical depth of the O 2 absorption at 630 nm along a satellite orbit as a function of the SZA. The drawn line shows the maximum O 2 absorption for (mostly) nadir observations. (here observations of the GOME-1 instrument are shown (Wagner et al., 2005). The LOS dependence is considered by multiplication of an additional function (see Fig. 11) 1.4 Correction factor 1.3 0° 60° 20° 70° -110 -90 LOS [°] 40° 75° 50° 80° 1.2 1.1 1 0.9 -150 -130 -70 -50 -30 Fig. 11 LOS dependence of the threshold for mainly cloud-free observations. In Figure 12 an example for the monthly mean H2O VCDs using only mostly cloud-free observations is shown (for March 2003). 10 Fig. 12: Monthly mean H2O VCD derived from SCIAMACHY for mostly cloud-free conditions (March 2003). Validation We compared H2O VCDs retrieved from SCIAMACHY with results from GOME-1 and GOME-2. Results from GOME-1 and GOME-2 have been validated using observations from SSM/I observations and radiosondes (Wagner et al., 2005; Slijkhuis et al. 2008, EUMETSAT, 2010). For mainly cloud-free conditions, (effective cloud fraction <20%), the mean relative error (compared to radio sonde observations) is typically < 20%. Over regions with high albedo (low albedo) our retrieval tends to underestimate (overestimate) the true water vapor column. In Fig. 13 the H2O VCD from GOME-1 for March 2003 is shown. It was retrieved with the same settings as described in Table 1 (but for the GOME-1 retrieval no polarisation spectra were included). In Figs. 14 and 15 the difference between SCIAMACHY and GOME results for March 2003 are presented. Fig. 16 shows time series of H2O VCDs for the different sensors for different latitude bands. During the overlap periods good agreement between the results of the different instruments is found. Good agreement is also obtained from correlations studies of between the different sensors (Fig. 17). 11 Fig. 13 Monthly mean H2O VCD derived from GOME-1 for mostly cloud-free conditions (March 2003). Fig. 14 Difference between the monthly mean H2O VCDs from SCIAMACHY (Fig. 7) and GOME-1 (Fig. 8) for March 2003. Most of the noise-like patterns are related to the different spatial sampling of both instruments. 12 Fig. 15 Like Fig. 14, but only for collocated observations Fig. 16 Time series of monthly mean H2O VCDs for different latitude bands from 1996-2009 from GOME-1, SCIAMACHY and GOME-2. Good agreement between the overlap periods is found. 13 Fig. 17 Correlation analyses between SCIAMACHY results (x-axis) and GOME-1 and GOME-2. Recommendations for product validation Our H2O product was extensively validated for different measurement conditions (e.g. EUMETSAT, 2010). Additional validation exercises should focus on measurements over regions with high surface albedo (e.g. deserts) or elevated terrain. Known issues Our water vapor retrieval is optimised to yield stable and unbiased time series of the atmospheric H2O VCD. This was the reason to chose the rather simple retrieval scheme without using additional data sets (e.g. on cloud properties). As a consequence, however, in specific cases, also large deviations of the retrieved H 2O VCD from the true atmospheric value can occur. In spite of the application of ‘measured AMFs’, the largest errors are expected to occur over low lying clouds (e.g. at the west coasts of South America or Africa), because of the different profile shapes of H 2O and O2. For observations above low clouds most of the atmospheric H2O VCD is shielded, while most of the O 2 VCD is still seen by the satellite instrument. Thus in such cases the use of a measured AMF leads to a systematic underestimation of the retrieved H2O VCD. Over regions with high albedo (low albedo) our retrieval tends to underestimate (overestimate) the true water vapor column [EUMETSAT, 2010]. While high fitting errors (given in the data product) indicate measurements with high errors of the H2O VCD product, additional errors might be introduced in cases with strong differences of the H2O profile from the assumed profile. An errors estimation including different error 14 sources are given in the result files (see product specification file). These errors are difficult to quantify. In particular, they can occur although the fitting errors are small. These errors Currently we are working on an improved version of the H 2O retrieval including a better cloud correction. Up to now, no explicit treatment of measurements over elevated surface terrain is included in our retrieval. Thus over high mountains areas (>1000m) the H2O VCD is systematically underestimated. 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