File name: Pandora206s1_BuffaloNY_20231210_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T070058.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20231210_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20231210 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: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20231210T162307.7Z 8744.682728 210 1 24.01 2 66.73 168.78 66.21 200.31 0.00 1 0.00 1 0 25 4.154e-01 2.181e-02 2.645e-01 1.797e-02 3.711621e-01 8.763993e-03 4.356107e-03 -6.000000e+00 2.279992e-01 222.39 -2.00 3.55 -2.00 319.07 0.00e+00 1.558701e-03 2.090222e-03 4.649885e-04 -6.000000e+00 9.946706e-03 274.92 -2.00 20.00 -2.00 318.51 0.00e+00 2.512 0.000 302.00 328.00 3 7.3070e+00 2.3971e-02 3.0922e-02 -6.0000e+00 5.6142e-01 8.1473e-02 2.7864e-02 1.9263e-02 -6.0000e+00 6.1347e-01 3.9015e-02 2.1624e-02 9.4854e-03 -6.0000e+00 3.6522e-01 -1.7059e-02 1.1605e-02 3.3689e-03 -6.0000e+00 1.5621e-01 1.7994e-05 1.4036e-04 5.0284e-04 3.0105e-05 -6.0000e+00 1.0569e-02 -1.6483e-02 2.3756e-04 12 8 8 10 0 0 83.40 18.11 1.63 -0.01648 -0.01543 6 6 2 8 0 4000.000 15.00 18.11 13.11 21.58 21.48 19.4 959.11 53201 405835 128172 81484 25598 113182 -44677 86836 -61904 62161 49797 68722 19980 -1251 18767 35659 13678 8689 23288 -2979 24051 5275 13297 23065 11148 -13252 4347 274 1193 8022 11076 -4340 11450 4289 -4898 3230 -4171 2262 4016 -2917 -1037 2960 2525 -1079 4394 -6508 -3687 -22017 331 -2715 -4342 -1303 -5250 -1890 -508 386 947 1605 -2078 -6001 1804 7781 -2703 -1309 -1741 2658 13952 2344 4145 -1279 1398 2188 6846 761 3655 1445 1775 -1467 -2458 -4101 -1714 364 -3096 -4880 -1219 271 1841 1614 5149 611 -181 -85 -1541 -1909 -2365 -1315 1884 568 1208 1410 1641 -1517 -1419 -2158 1543 -3454 916 1123 197 645 1029 -662 -2391 -1721 -2282 -262 -555 -1756 102 1135 329 248 1908 1126 398 -345 -1141 -1123 90 -860 1617 1086 30 -355 57 656 751 1090 734 988 -886 -1911 -1230 932 7111 2246 1428 598 1983 -2096 1521 -4237 1416 1280 1525 824 -76 1114 2056 1051 746 1830 -318 2012 525 1255 2125 1222 -1947 545 34 137 871 1296 -657 1657 708 -822 484 -743 439 928 -835 -323 929 829 -374 1439 -2402 -1314 -9343 116 -998 -1747 -537 -2394 -891 -246 189 472 791 -1066 -3161 906 3989 -1646 -858 -1164 1627 7207 1341 2485 -902 1056 1707 5068 571 2539 914 1018 -836 -1510 -2951 -1367 308 -2912 -4869 -1257 295 2067 1871 5777 688 -188 -84 -1425 -1735 -2328 -1391 2168 744 1681 1915 2075 -1804 -1605 -2447 1843 -4548 1207 1558 292 998 1700 -1137 -4046 -2709 -3424 -362 -768 -2566 157 1824 536 394 2907 1651 574 -479 -1515 -1513 131 -1324 2582 1807 52 -637 106 1263 1472 2174 1471 1898 -1707 -3555 -2207 SS 20231210T164942.2Z 8744.701183 223 1 2.36 2 66.06 175.41 68.17 206.55 0.00 1 0.00 1 0 17 4.283e-02 9.036e-03 6.222e-02 1.012e-02 3.467978e-01 4.916273e-03 4.219134e-03 -6.000000e+00 2.350007e-02 222.39 -2.00 3.55 -2.00 318.34 0.00e+00 1.021255e-03 9.398660e-04 2.071532e-04 -6.000000e+00 1.025621e-03 274.92 -2.00 20.00 -2.00 317.75 0.00e+00 2.447 0.000 302.00 328.00 3 4.3753e+00 1.3143e-02 2.9672e-02 -6.0000e+00 5.7865e-02 -3.9341e-03 1.4989e-02 1.7813e-02 -6.0000e+00 6.3237e-02 -6.4310e-03 1.0174e-02 8.8865e-03 -6.0000e+00 3.7645e-02 4.1804e-03 5.3795e-03 2.7824e-03 -6.0000e+00 1.6098e-02 4.0066e-04 2.6024e-04 2.7866e-04 2.7998e-05 -6.0000e+00 1.0899e-03 -1.6714e-02 1.4859e-04 12 9 1 12 1 1 999.00 18.11 0.55 -0.01671 -0.01476 1 23 2 8 0 1177.180 15.00 18.11 13.32 21.58 21.48 19.4 960.42 -13110 -1757 -10905 2195 459 15620 -1769 -8717 15170 -19483 17314 -10864 13485 -8887 -144 -6252 4027 -2136 1309 -9422 113 -3787 -3012 9512 -811 2910 -2584 -4475 -7371 4564 -626 6226 -2952 2602 -3251 -4050 -2110 -3101 1540 -962 465 -711 2153 -1526 1899 -2062 2670 -2946 -444 1322 847 2208 1799 1686 1353 250 417 1899 -741 1256 -960 1233 1013 -134 646 189 387 -506 822 1274 1295 771 130 -911 964 609 -972 -1192 -1185 -1233 -805 -713 -1517 -1134 -496 -1475 36 -641 -323 911 -491 1644 -1504 1898 173 -294 1344 367 303 -249 -100 -64 -597 114 -66 -1058 -1104 -518 -599 521 393 -68 -431 708 -1320 1036 -824 -395 -776 555 -128 -250 136 444 1898 -80 1373 801 1334 471 -28 190 886 576 -710 -985 422 -50 39 -41 -506 -439 -646 -714 -96 -682 114 22 617 -89 -511 814 -1538 967 -809 948 -896 -16 -821 506 -302 188 -1570 18 -600 -487 1459 -146 527 -502 -834 -1316 729 -116 1186 -686 603 -738 -900 -509 -852 490 -363 191 -300 919 -685 822 -937 1178 -1321 -193 591 398 1111 940 942 788 150 250 1146 -447 735 -592 786 695 -101 489 133 263 -341 586 988 1103 671 113 -787 775 450 -665 -807 -833 -972 -698 -674 -1514 -1149 -537 -1691 42 -773 -390 1041 -536 1689 -1473 1803 176 -329 1588 471 416 -336 -129 -77 -683 134 -83 -1387 -1485 -716 -860 782 620 -110 -677 1071 -1913 1410 -1145 -560 -1161 853 -200 -390 206 656 2678 -113 1848 1079 1911 720 -44 307 1455 970 -1246 -1784 769 -94 74 -76 -900 -762 -1117 SS 20231210T165432.1Z 8744.704539 226 1 46.09 2 66.00 176.63 68.57 207.66 0.00 1 0.00 1 0 17 1.894e-02 4.881e-03 1.017e-02 1.310e-03 3.482959e-01 6.368942e-04 4.167091e-03 -6.000000e+00 1.038778e-02 222.39 -2.00 3.55 -2.00 318.91 0.00e+00 4.420511e-04 1.430063e-04 1.288579e-04 -6.000000e+00 4.535285e-04 274.92 -2.00 20.00 -2.00 318.32 0.00e+00 2.442 0.000 302.00 328.00 3 3.5465e+00 1.7305e-03 2.9615e-02 -6.0000e+00 2.5578e-02 -1.1450e-02 1.9967e-03 1.7708e-02 -6.0000e+00 2.7955e-02 5.6323e-03 1.4668e-03 8.9309e-03 -6.0000e+00 1.6642e-02 -7.8261e-03 7.7949e-04 2.6596e-03 -6.0000e+00 7.1146e-03 9.2590e-04 -1.5582e-04 3.6823e-05 2.7151e-05 -6.0000e+00 4.8197e-04 -1.5377e-02 1.2459e-04 10 0 0 10 0 0 99.98 18.10 0.20 -0.01538 -0.01655 261 81 1 8 0 175.880 15.00 18.10 13.38 21.58 21.48 19.5 961.53 -6806 -5465 -7492 -6244 -5476 -4900 -7325 -2725 -4343 -3119 -3541 -6352 -4620 -3388 2928 -354 -1474 632 773 -111 606 -5 -106 -1115 -803 -178 -57 99 -2472 124 583 2201 1357 -102 -1874 -2642 -2031 -1760 -759 -312 -1253 -1047 -598 -783 341 -602 -765 -946 -690 -526 491 685 762 1124 942 902 610 820 325 420 863 1251 1466 1948 379 -41 -350 -421 503 367 715 423 335 343 381 -297 -311 -695 -435 -897 -683 -651 -1905 -1558 -1118 -472 -272 64 393 431 451 461 180 342 536 131 575 768 307 -253 -168 -605 -744 -140 -669 -973 -715 -483 -396 246 333 248 72 73 -173 222 -79 124 -74 -122 -353 -101 268 137 856 307 619 774 625 276 206 -86 -296 51 21 -158 -50 233 -31 -86 -47 -342 -445 -252 -224 -329 -257 -216 -185 -305 -122 -204 -156 -194 -338 -282 -241 230 -33 -146 65 83 -13 70 -1 -12 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