File name: Pandora133s1_Heidelberg_20240712_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T104018.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora133_OF_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240712_L1_smca1c3d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20240712 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 227 368 Nominal wavelengths inside fitting window [nm]: 305.0728 305.2141 305.3553 305.4966 305.6378 305.7790 305.9202 306.0614 306.2026 306.3438 306.4849 306.6261 306.7672 306.9083 307.0494 307.1905 307.3316 307.4727 307.6138 307.7548 307.8959 308.0369 308.1779 308.3189 308.4599 308.6009 308.7418 308.8828 309.0238 309.1647 309.3056 309.4465 309.5874 309.7283 309.8692 310.0100 310.1509 310.2917 310.4326 310.5734 310.7142 310.8550 310.9958 311.1365 311.2773 311.4180 311.5588 311.6995 311.8402 311.9809 312.1216 312.2623 312.4029 312.5436 312.6842 312.8249 312.9655 313.1061 313.2467 313.3872 313.5278 313.6684 313.8089 313.9494 314.0900 314.2305 314.3710 314.5115 314.6519 314.7924 314.9328 315.0733 315.2137 315.3541 315.4945 315.6349 315.7753 315.9157 316.0560 316.1964 316.3367 316.4770 316.6173 316.7576 316.8979 317.0382 317.1784 317.3187 317.4589 317.5991 317.7393 317.8795 318.0197 318.1599 318.3001 318.4402 318.5804 318.7205 318.8606 319.0007 319.1408 319.2809 319.4209 319.5610 319.7010 319.8411 319.9811 320.1211 320.2611 320.4011 320.5410 320.6810 320.8209 320.9609 321.1008 321.2407 321.3806 321.5205 321.6604 321.8002 321.9401 322.0799 322.2198 322.3596 322.4994 322.6392 322.7789 322.9187 323.0585 323.1982 323.3379 323.4776 323.6173 323.7570 323.8967 324.0364 324.1760 324.3157 324.4553 324.5949 324.7346 324.8741 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SS 20240712T054316.7Z 8959.238387 112 1 46.91 2 71.62 77.53 127.49 29.45 0.00 1 0.00 1 0 25 2.580e-01 1.813e-02 1.561e-01 8.737e-03 4.309755e-01 4.601259e-03 5.227283e-03 -6.000000e+00 1.519171e-01 233.62 -2.00 3.74 -2.00 319.87 0.00e+00 -1.785480e-04 1.360998e-03 1.085369e-03 -6.000000e+00 6.557445e-03 283.47 -2.00 20.00 -2.00 319.17 0.00e+00 3.130 0.001 302.00 328.00 3 6.0857e+00 1.3407e-02 3.9651e-02 -6.0000e+00 3.8278e-01 6.7619e-02 1.5896e-02 2.4912e-02 -6.0000e+00 4.1309e-01 -7.6884e-02 1.2389e-02 1.2179e-02 -6.0000e+00 2.4490e-01 3.4552e-02 6.3645e-03 3.3680e-03 -6.0000e+00 1.0371e-01 3.2382e-05 2.0096e-03 2.6381e-04 3.8698e-05 -6.0000e+00 7.0601e-03 2.9895e-02 0.0000e+00 12 9 8 11 8 0 99.99 23.48 0.62 0.02990 0.04500 22 6 1 8 0 2132.130 20.01 23.48 27.01 27.15 27.45 1.5 913.46 -6288 -37931 -11995 -48651 -20138 62070 13999 -77595 32222 -75407 229775 68967 -8470 -26669 10997 8082 27184 26389 54209 -14954 4835 -31175 20141 -29519 21862 -15316 -3003 -2241 -5306 -438 6129 -10867 16348 -2258 8539 -12587 17215 -2795 19335 -397 10193 -9126 7754 -5959 3521 3656 -4453 -8588 3615 -1274 5109 2811 12430 -5101 8608 -7042 4271 8204 5101 -2452 2919 233 4946 1155 -2557 1642 977 -480 2570 2469 3370 557 4469 -112 -1482 -2298 -125 -4042 -428 -3838 -4615 2925 -3173 -2004 -705 -1057 1255 1492 1450 -854 3515 -1725 -5043 -4851 404 -1260 1878 653 816 -1748 -294 -1089 -101 -869 -1189 -1468 1656 -1179 666 859 1180 -838 938 -1011 454 -163 1046 -1305 651 -1918 1085 1646 1002 -1194 1738 -85 2400 1385 -34 -697 -1084 -849 -167 723 765 -438 1274 -665 740 -164 -440 -1613 -135 -1193 -300 -1584 -460 673 264 -3893 641 -4285 1957 1152 -345 -1521 514 431 1288 1345 2220 -1223 329 -3012 1280 -3230 1557 -1610 -275 -190 -457 -39 564 -1311 1665 -271 884 -1678 1969 -456 3095 -87 2168 -2440 1815 -1588 866 907 -1180 -2380 910 -358 1461 889 3831 -1972 3027 -2956 1635 2990 1860 -974 1168 106 2331 596 -1321 774 456 -237 1387 1487 2123 366 2762 -69 -836 -1192 -60 -2096 -241 -2541 -3449 2227 -2691 -1788 -662 -1054 1270 1528 1450 -824 3045 -1465 -4281 -4332 379 -1347 2180 831 1049 -2192 -341 -1181 -107 -999 -1449 -1864 2156 -1666 991 1369 1960 -1410 1490 -1539 651 -232 1519 -2025 1053 -3220 1753 2596 1547 -1805 2464 -117 3262 2033 -54 -1194 -1946 -1570 -317 1445 1601 -946 2763 -1483 1595 -343 -891 -3194 SS 20240712T055355.7Z 8959.245784 118 1 1.83 2 69.92 79.43 126.67 32.50 0.00 1 0.00 1 0 17 9.406e-02 1.597e-02 1.309e-01 1.183e-02 3.986533e-01 6.147665e-03 4.865643e-03 -6.000000e+00 5.544878e-02 233.62 -2.00 3.74 -2.00 319.15 0.00e+00 -7.883873e-04 1.507902e-03 1.035001e-03 -6.000000e+00 2.390751e-03 283.47 -2.00 20.00 -2.00 318.42 0.00e+00 2.882 0.000 302.00 328.00 3 3.9816e+00 1.7303e-02 3.6487e-02 -6.0000e+00 1.3972e-01 -4.8108e-02 1.9990e-02 2.2872e-02 -6.0000e+00 1.5071e-01 9.5768e-03 1.4705e-02 1.0993e-02 -6.0000e+00 8.9353e-02 -2.4184e-04 7.6941e-03 2.9828e-03 -6.0000e+00 3.7895e-02 3.6515e-04 3.6786e-03 3.4892e-04 3.1355e-05 -6.0000e+00 2.5731e-03 2.1052e-02 0.0000e+00 12 9 9 12 1 1 999.00 23.50 0.26 0.02105 0.04869 1 14 1 8 0 913.740 20.01 23.50 27.24 27.15 27.45 1.5 915.58 -3040 -37807 -24021 -9008 -35177 -359 -11445 16470 -9775 46566 48589 6158 -18741 1089 -21469 20215 354 7950 -14271 12421 -4405 -8519 2892 -3997 2124 -4404 1040 -5740 -9897 20842 -2804 295 1753 3615 -11116 -3069 -14892 4312 4696 -2161 -1102 2059 249 2616 -3041 -585 -5475 1578 -689 5014 -2969 4969 1090 3040 690 935 -2080 2407 -2349 -1677 2163 2782 -1972 2117 21719 -290 -1963 -2618 -1763 1544 -908 2002 -2455 3242 -186 1449 333 2116 -3944 -817 -3646 -1568 -2419 -1014 -493 100 560 1660 -513 442 411 353 -568 -1145 -449 742 1391 1711 -1076 -1118 -2513 -421 -1066 1169 -1416 -818 -1492 -143 -583 1814 1548 -325 -426 -729 257 1171 196 966 -229 50 137 758 -474 -244 359 651 1219 1068 -667 679 -1246 -899 -217 200 69 624 1023 28 -150 -337 802 -2015 -78 -1465 -828 -249 -1157 -9 -349 439 -372 1096 1144 241 -1094 62 -1745 1233 28 612 -1432 1016 -426 -872 284 -451 240 -552 122 -672 -1176 1990 -372 42 269 541 -1811 -494 -3014 877 1135 -631 -339 649 81 838 -1038 -195 -1903 516 -234 1709 -1179 1968 474 1375 328 458 -1054 1168 -1164 -837 1105 1527 -1217 1326 11228 -171 -1156 -1604 -1191 1116 -700 1535 -1911 2291 -125 891 198 1275 -2760 -620 -3106 -1411 -2285 -1000 -513 108 622 1849 -570 465 408 333 -526 -1104 -468 836 1707 2232 -1434 -1448 -3093 -486 -1231 1403 -1806 -1080 -2053 -204 -881 2829 2487 -527 -669 -1089 366 1644 283 1458 -365 81 219 1184 -733 -365 518 914 1702 1573 -1052 1109 -2135 -1562 -387 371 133 1216 2018 55 -295 -649 1494 -3745 SS 20240712T061853.4Z 8959.263118 129 1 47.19 2 65.91 83.94 124.46 39.39 0.00 1 0.00 1 0 17 2.431e-02 7.433e-03 9.342e-03 1.434e-03 3.473191e-01 7.428741e-04 4.249039e-03 -6.000000e+00 1.432343e-02 233.62 -2.00 3.74 -2.00 318.61 0.00e+00 1.148914e-03 1.522816e-04 4.411724e-04 -6.000000e+00 6.179979e-04 283.47 -2.00 20.00 -2.00 317.86 0.00e+00 2.432 0.000 302.00 328.00 3 4.1348e+00 2.0437e-03 3.1060e-02 -6.0000e+00 3.6091e-02 -1.4105e-03 2.3231e-03 1.9378e-02 -6.0000e+00 3.8942e-02 -7.8655e-04 1.5660e-03 9.5439e-03 -6.0000e+00 2.3086e-02 -5.8726e-03 8.1170e-04 2.9844e-03 -6.0000e+00 9.7824e-03 5.0077e-04 2.4353e-03 4.2286e-05 3.0186e-05 -6.0000e+00 6.6530e-04 2.6157e-02 0.0000e+00 11 9 0 11 8 0 99.33 23.57 0.21 0.02616 0.04446 76 20 1 8 0 620.870 20.00 23.57 28.33 27.26 27.45 1.4 921.10 -3447 -4747 417 -7133 -13198 -7508 -8451 -6132 -5307 -7949 -7186 -3796 -6217 -4424 -1838 -263 146 2176 751 1393 267 -271 210 -653 374 -350 -1057 -836 -1538 258 -1155 114 -57 -2886 -3488 -3072 -5196 -2039 -843 -775 -583 -355 107 -28 591 250 -222 -331 -815 539 662 1290 1482 661 1208 1219 695 972 171 259 1451 1557 2561 2392 211 154 -833 -237 826 504 644 855 833 724 -85 -591 -1962 -1563 -1352 -1918 -1714 -1289 -2340 -1223 -748 -96 317 1183 874 928 1024 -455 -906 -149 -394 -37 889 575 7 -191 -942 -1588 -624 -505 -1266 -868 -878 -266 467 856 853 136 9 -539 -271 34 -55 382 627 -121 256 616 554 247 428 -630 769 745 213 112 -205 -475 -324 324 168 -19 789 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