File name: Pandora206s1_BuffaloNY_20231020_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T063429.8Z 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_20231020_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: 20231020 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 20231020T133612.9Z 8693.566816 86 1 24.01 2 70.70 125.97 133.44 91.17 0.00 1 0.00 1 0 17 2.492e-01 3.430e-02 2.796e-01 2.429e-02 4.020814e-01 1.231809e-02 4.846269e-03 -6.000000e+00 1.400710e-01 225.08 -2.00 3.55 -2.00 319.41 0.00e+00 5.494320e-04 3.308999e-03 1.159312e-03 -6.000000e+00 7.262188e-03 281.05 -2.00 20.00 -2.00 318.76 0.00e+00 2.991 0.000 302.00 328.00 3 7.1486e+00 3.4730e-02 3.6227e-02 -6.0000e+00 3.4740e-01 1.0984e-01 4.1018e-02 2.2203e-02 -6.0000e+00 3.7942e-01 4.9995e-02 3.3418e-02 1.0587e-02 -6.0000e+00 2.2474e-01 -2.1990e-02 1.7713e-02 3.1370e-03 -6.0000e+00 9.6825e-02 1.2537e-05 -1.2413e-03 6.9803e-04 3.2062e-05 -6.0000e+00 6.4551e-03 -2.4001e-02 1.8593e-04 12 8 8 10 0 0 41.70 18.24 1.65 -0.02400 -0.03333 6 6 2 8 0 4000.000 15.00 18.24 18.43 21.69 21.69 19.2 953.48 -69221 900000 90317 -29322 92484 900000 104205 75912 7352 900000 900000 900000 -6848 39801 13617 -2709 900000 20339 46451 -17967 130428 8144 19033 26248 19033 2975 -18635 31375 20442 73104 -11419 7128 47675 54556 21737 20770 -9087 4924 14532 31157 421 -9962 22690 -1477 15486 -6438 -7418 -35828 14105 -8907 7728 3879 -5896 -2509 2886 438 -9100 5209 -5212 -6375 -2276 11994 -500 4656 3219 3155 628 -3253 -8490 -5554 6279 -1678 4676 -3008 10496 258 2658 240 -1505 -3625 2116 856 -3303 -3877 1789 6665 2102 820 -2829 3202 -1582 1931 2032 -721 -727 -326 1287 308 3193 1704 6278 -2560 -1090 -5693 3013 -4094 178 135 -121 -1293 2760 1408 -8788 63 -922 3165 -1652 870 -3147 1288 273 -403 1710 913 4232 462 -1377 -1593 3367 -4098 2878 -381 1283 -744 2054 -1320 -912 1227 2436 -608 99 -1282 -1298 -2581 900000 2137 -911 2188 900000 2466 1796 191 900000 900000 900000 -277 1215 624 -170 900000 1173 2269 -1700 3086 608 1309 1824 1520 295 -2356 2371 1607 3517 -1334 775 4003 4622 2331 2219 -1391 761 2482 5437 109 -3014 5335 -437 3985 -2022 -2419 -14951 3703 -2997 2372 1357 -2359 -1042 1192 196 -4470 2288 -2470 -3003 -1052 5188 -271 2557 1849 1750 337 -1792 -5217 -3696 4248 -1249 3367 -2170 6317 154 1400 124 -837 -2372 1493 687 -2904 -3575 1666 6347 2200 897 -3230 3318 -1635 1768 1720 -611 -661 -332 1449 383 4164 2227 7571 -3078 -1181 -6529 3462 -5319 232 179 -171 -2002 4429 2364 -15948 98 -1342 4264 -2321 1239 -4824 2003 434 -627 2613 1348 5714 620 -1783 -2076 4566 -6515 4560 -651 2205 -1314 3760 -2629 -1845 2479 4893 -1212 187 -2410 -2356 SS 20231020T134331.2Z 8693.571889 89 1 5.30 2 69.63 127.50 132.18 92.33 0.00 1 0.00 1 0 17 6.319e-02 1.010e-02 9.143e-02 1.107e-02 3.804983e-01 5.464563e-03 4.521738e-03 -6.000000e+00 3.507997e-02 225.08 -2.00 3.55 -2.00 318.80 0.00e+00 3.149005e-03 1.224119e-03 1.430885e-04 -6.000000e+00 1.574631e-03 281.05 -2.00 20.00 -2.00 318.12 0.00e+00 2.844 0.000 302.00 328.00 3 4.8637e+00 1.4900e-02 3.4021e-02 -6.0000e+00 8.6725e-02 2.5634e-02 1.7184e-02 2.0028e-02 -6.0000e+00 9.4448e-02 -1.1631e-02 1.2409e-02 9.9960e-03 -6.0000e+00 5.6361e-02 -7.2150e-04 6.5983e-03 4.2846e-03 -6.0000e+00 2.4197e-02 1.5787e-04 4.7375e-04 3.0612e-04 3.6961e-05 -6.0000e+00 1.6333e-03 -2.4147e-02 2.2227e-04 12 9 9 12 1 1 999.00 18.24 0.29 -0.02415 -0.02059 1 10 4 8 0 2646.350 15.00 18.24 18.73 21.69 21.69 19.2 955.29 17158 3896 30765 900000 -27395 -36500 -15799 -7700 -19363 -3004 -706 -15072 -9499 5341 -7869 4989 6026 12427 -4771 -999 -436 -3319 3818 1876 -13624 -4966 2666 3564 -2500 -2911 3119 -4639 1861 -3696 4537 -10843 -3924 -3548 2034 -4169 50 -579 -3008 2716 1414 4075 -3174 -969 1267 69 1544 3590 -1414 -104 3084 276 2991 2305 732 -3446 905 2924 2499 2077 495 200 -161 -3793 865 -164 1613 -140 1103 238 1644 1138 -1789 2063 -1744 790 -948 -1035 -1704 -2611 -1529 -714 -41 805 1538 -145 1140 -1836 -186 995 -381 -102 388 -93 171 -204 565 -343 -896 -532 -1252 -1262 -1338 348 -521 -401 96 686 -51 617 -619 -244 30 -223 937 82 67 -435 539 1054 162 3 591 822 2183 918 -403 -442 -753 270 383 -53 5 373 295 -90 -940 -305 -814 468 135 889 900000 -1166 -1620 -622 -310 -955 -139 -32 -818 -562 329 -662 428 550 1134 -549 -116 -52 -398 436 233 -2075 -726 368 465 -326 -388 437 -785 331 -742 780 -2096 -779 -813 518 -1312 17 -205 -1141 994 526 1498 -1252 -372 477 27 636 1582 -680 -53 1581 145 1604 1240 390 -1894 492 1650 1568 1400 346 130 -102 -2468 559 -120 1282 -115 895 191 1233 767 -1159 1272 -1162 579 -786 -939 -1641 -2587 -1573 -782 -46 923 1762 -162 1216 -1854 -175 928 -380 -109 455 -119 229 -276 724 -414 -1025 -621 -1546 -1639 -1785 473 -744 -607 153 1116 -81 935 -895 -344 43 -323 1407 129 106 -681 831 1580 233 4 802 1129 3175 1410 -657 -735 -1289 467 696 -99 9 718 572 -172 -1732 -544 -1446 SS 20231020T140124.4Z 8693.584310 97 1 45.79 2 67.11 131.38 129.08 95.08 0.00 1 0.00 1 0 25 2.810e-02 5.310e-03 2.792e-02 3.001e-03 3.479788e-01 1.474076e-03 4.188383e-03 -6.000000e+00 1.559318e-02 225.08 -2.00 3.55 -2.00 319.25 0.00e+00 1.368390e-04 3.680539e-04 1.449688e-04 -6.000000e+00 6.902020e-04 281.05 -2.00 20.00 -2.00 318.55 0.00e+00 2.551 0.000 302.00 328.00 3 4.4537e+00 4.1019e-03 3.0760e-02 -6.0000e+00 3.8546e-02 -3.9663e-03 4.7853e-03 1.8123e-02 -6.0000e+00 4.1989e-02 1.9269e-02 3.5483e-03 9.0197e-03 -6.0000e+00 2.5037e-02 -1.4224e-02 1.8726e-03 2.5782e-03 -6.0000e+00 1.0713e-02 3.3281e-04 -3.1584e-04 8.5643e-05 2.7856e-05 -6.0000e+00 7.1551e-04 -2.2846e-02 1.4604e-04 10 0 0 10 0 0 99.98 18.23 0.61 -0.02285 -0.02522 236 73 2 8 0 193.990 15.00 18.23 19.88 21.69 21.69 19.4 963.07 -10681 2284 5226 -11462 1848 -6148 -15250 -840 1863 -1614 5840 -14659 -1955 -5329 2639 -704 -794 5954 -5983 2476 314 -2661 4027 621 -2303 2857 -1800 1060 -1309 1038 1654 1963 1717 321 -1771 -2530 -1970 -1604 2832 -3045 -547 -2239 -1128 241 -2191 -35 -779 -2137 653 -147 665 505 124 1139 365 2168 160 665 46 -339 1663 1490 1264 1443 1046 -650 687 -800 -36 550 731 199 354 -31 806 141 709 -1102 -748 -393 -1849 193 -2184 -1313 -1292 -230 40 128 571 624 484 362 413 520 626 268 719 643 155 -287 -9 -811 -496 -541 -897 -935 -644 -104 -423 183 211 140 -81 263 -81 195 33 107 -193 -1 -451 21 295 82 585 4 449 686 855 96 333 -140 -295 -1 -19 137 -164 428 -22 -270 151 -309 -431 -352 75 175 -436 54 -187 -544 -29 72 -70 235 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