File name: Pandora32s1_GreenbeltMD_20231109_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231110T053712.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20231109_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20231109 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: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20231109T122842.8Z 8713.519940 169 1 48.75 2 82.85 118.54 44.55 143.95 0.00 1 0.00 1 0 25 3.292e-01 2.716e-02 1.837e-01 1.243e-02 7.277584e-01 6.656928e-03 8.766916e-03 -6.000000e+00 1.854767e-01 224.11 -2.00 3.47 -2.00 321.65 0.00e+00 1.122774e-02 3.018817e-03 3.928877e-03 -6.000000e+00 8.266335e-03 282.24 -2.00 20.00 -2.00 321.13 0.00e+00 7.397 0.007 302.00 328.00 3 1.9472e+00 2.2975e-02 8.2858e-02 -6.0000e+00 4.5720e-01 9.1216e-01 2.7554e-02 3.8878e-02 -6.0000e+00 4.9711e-01 -1.3074e+00 1.9486e-02 2.1097e-02 -6.0000e+00 2.9696e-01 5.4919e-01 9.8915e-03 8.9237e-03 -6.0000e+00 1.2766e-01 2.4851e-05 -1.9149e-03 3.4446e-04 1.8573e-04 -6.0000e+00 8.7594e-03 5.7055e-03 -7.4092e-05 12 8 8 10 0 0 -8.00 21.29 1.48 0.00571 -0.00868 23 5 1 5 0 2119.120 25.90 20.00 21.29 16.64 3.7 950.51 -11987 -45313 -1471 -41345 3337 -99182 -41972 -46756 47784 -57155 -39298 -104471 -33776 -9804 9348 28706 -15452 16404 -21013 207189 -25116 -729 57738 -46228 86072 -16683 19242 -33887 -23692 -8073 15480 -23082 30603 -2279 30090 -9118 50364 -19321 17683 56124 25722 41208 52368 55434 34307 54990 41116 68473 79479 54194 17294 49660 34776 29396 15214 27792 19231 1363 15511 2724 48631 12 15760 8676 10963 18593 16491 35533 -3396 29085 4395 5885 3375 5665 1244 -2044 3052 -4424 -8862 1073 -4522 4637 -4515 2283 -321 -974 590 -2763 4995 -2720 -4620 -6665 -4400 -4751 -750 -1187 -4452 -1474 -3136 -2305 239 -2226 -3532 -4962 -5696 -2653 -3197 -45 -1715 -504 -768 -674 -515 1004 2679 -29 -991 -1248 376 1303 72 1303 3202 3117 2256 1381 1250 1662 359 2633 522 150 -657 606 1817 512 -772 -2648 561 -10 -98 -243 -1835 -489 -2947 -63 -2461 107 -7435 -1619 -1856 737 -2457 -1343 -6910 -1303 -378 371 1108 -1022 832 -1598 2512 -1910 -44 1820 -3669 1983 -1052 817 -2301 -1379 -411 713 -1875 1670 -185 1678 -685 2076 -1757 1287 3199 2183 3148 3683 3832 2912 3801 3291 4235 4530 4140 2055 4697 4133 3921 2435 3977 3008 250 2351 449 5072 2 2771 1862 2499 3923 3440 6162 -931 6560 1412 1955 1142 1766 368 -555 718 -1110 -2558 334 -1777 1923 -2289 1155 -160 -521 328 -1648 2775 -1592 -2597 -3928 -2417 -2656 -449 -761 -3475 -1302 -3174 -2411 233 -2015 -2901 -3999 -4910 -2383 -3055 -45 -1908 -630 -1092 -1047 -824 1562 3925 -42 -1438 -1897 599 2168 121 2104 4861 4605 3261 1950 1705 2304 567 4705 980 305 -1429 1388 4402 1334 -2097 -7433 1531 -25 -246 -566 -4111 SS 20231109T123941.2Z 8713.527560 172 1 48.76 2 81.00 120.42 43.41 147.47 0.00 1 0.00 1 0 25 4.165e-01 1.554e-02 1.371e-01 5.856e-03 6.461015e-01 3.071720e-03 7.511290e-03 -6.000000e+00 2.346701e-01 224.11 -2.00 3.47 -2.00 321.25 0.00e+00 4.183928e-03 1.444420e-03 3.191891e-03 -6.000000e+00 1.045903e-02 282.24 -2.00 20.00 -2.00 320.70 0.00e+00 6.055 0.004 302.00 328.00 3 2.2731e+00 1.0362e-02 6.9472e-02 -6.0000e+00 5.7846e-01 2.6393e-01 1.3590e-02 3.7491e-02 -6.0000e+00 6.2897e-01 -4.4752e-01 1.2443e-02 1.9937e-02 -6.0000e+00 3.7572e-01 1.9047e-01 6.0066e-03 6.3182e-03 -6.0000e+00 1.6152e-01 7.6045e-05 -1.1171e-03 1.6479e-04 1.0023e-04 -6.0000e+00 1.1083e-02 5.9940e-03 -7.3970e-05 12 8 8 10 0 0 99.60 21.31 0.90 0.00599 -0.00240 49 11 1 5 0 994.910 25.90 19.99 21.31 17.70 3.6 955.82 -152339 -143739 -95238 -141466 -154155 -160819 -63754 -105697 -123970 -103909 -137016 -152333 -64152 -83249 70654 -6611 -19704 -17398 -22040 7983 -34482 -24647 -31483 -45249 2888 -5721 26873 -47808 -3507 -7971 11198 7794 4109 12384 -1358 6329 -5668 1351 -2196 21738 4119 4842 5383 25504 9664 18575 7659 26463 10229 6388 13006 12784 16605 9984 14240 10788 7178 3312 6787 5851 3768 7868 11127 4193 6270 5130 7229 6411 1396 7258 4176 1304 -293 3737 302 -942 8 -1106 -5682 -3549 -1102 -2457 -2806 -1680 -648 -458 1568 -774 55 1288 581 -901 -2068 -2385 -1556 -1244 -837 96 -956 -1081 -868 -1973 -1957 -1267 -2404 -2072 -1369 -1047 -477 -219 56 685 -43 209 604 -180 -48 -195 580 771 391 1047 1470 897 656 824 980 886 679 442 1015 -668 -186 378 661 -336 -73 -599 61 31 288 -794 -1052 -3242 -3358 -1632 -3452 -4225 -4316 -655 -1811 -2832 -2077 -3912 -5393 -1136 -2282 525 -128 -495 -467 -667 187 -1260 -802 -1097 -1912 81 -183 629 -2293 -104 -255 339 294 188 573 -71 289 -304 78 -159 1490 383 484 563 2243 1004 1793 840 2463 1162 795 1656 1825 2513 1591 2314 1887 1342 645 1240 1048 696 1507 2340 1073 1702 1404 1876 1694 419 2362 1574 536 -123 1437 111 -314 2 -332 -1947 -1406 -505 -1315 -1678 -1062 -431 -326 1158 -558 39 975 418 -613 -1351 -1572 -1120 -1034 -740 96 -1089 -1273 -973 -2024 -1813 -1141 -2339 -2154 -1491 -1214 -599 -308 82 1066 -68 325 889 -275 -72 -284 892 1250 641 1655 2223 1436 1016 1231 1405 1291 1103 758 1922 -1380 -403 800 1492 -813 -181 -1524 154 77 673 -1753 -2397 SS 20231109T125102.1Z 8713.535441 177 1 15.04 2 79.12 122.41 42.35 151.27 0.00 1 0.00 1 0 17 2.936e-01 1.107e-02 2.371e-01 7.978e-03 5.588990e-01 4.122934e-03 6.433482e-03 -6.000000e+00 1.655026e-01 224.10 -2.00 3.47 -2.00 320.66 0.00e+00 5.254873e-03 1.664668e-03 1.344864e-03 -6.000000e+00 7.373522e-03 282.24 -2.00 20.00 -2.00 320.06 0.00e+00 5.102 0.002 302.00 328.00 3 2.8488e+00 1.2929e-02 5.7779e-02 -6.0000e+00 4.0795e-01 9.5086e-02 1.6532e-02 2.9075e-02 -6.0000e+00 4.4360e-01 -1.5329e-01 1.5442e-02 1.6946e-02 -6.0000e+00 2.6509e-01 5.9845e-02 7.7148e-03 7.5858e-03 -6.0000e+00 1.1395e-01 1.1313e-04 -7.6975e-04 2.2610e-04 8.5452e-05 -6.0000e+00 7.8333e-03 5.7480e-03 -2.1421e-05 12 9 9 12 1 1 99.97 21.33 0.67 0.00575 -0.00004 12 10 1 5 0 1156.280 25.90 19.98 21.33 18.46 3.6 959.34 87934 -112475 -37184 88601 -90592 -135281 -57313 -53546 -73656 -89963 -42509 -118432 41565 -46710 900000 -504 53168 53105 -33801 71716 -20951 -3373 -16740 -35954 -9463 -9317 29495 -34015 -2541 -32285 25274 -20929 -22757 15752 -5876 -17184 -5474 -3997 -684 -7402 -2670 13844 -5787 13069 -5251 4607 404 16695 7023 -2493 7733 7367 8645 7804 4658 8133 2062 -2009 -1795 -350 7474 4120 3414 1404 894 -1660 3898 -1594 2914 1287 1351 1028 -905 3027 560 -743 -455 -5580 -2453 -2251 -908 -566 -2372 -1535 -2329 -642 853 1608 1320 -1202 468 -480 -1008 -485 1 -263 -54 462 -405 466 -831 -1719 -1235 -700 94 -916 -438 -17 -1061 1438 -850 743 -784 609 1519 -170 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