File name: Pandora206s1_BuffaloNY_20231028_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T064325.6Z 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_20231028_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: 20231028 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 20231028T135934.9Z 8701.583043 276 1 24.01 2 69.53 132.86 113.85 315.65 0.00 1 0.00 1 0 17 4.680e-01 4.829e-02 2.692e-01 3.087e-02 2.892910e-01 1.542549e-02 3.682320e-03 -6.000000e+00 2.623628e-01 224.35 -2.00 3.55 -2.00 318.86 0.00e+00 7.434582e-03 3.475159e-03 9.985006e-04 -6.000000e+00 1.254665e-02 280.03 -2.00 20.00 -2.00 318.22 0.00e+00 2.831 0.000 302.00 328.00 3 7.7033e+00 4.2405e-02 3.1364e-02 -6.0000e+00 6.4807e-01 6.4052e-02 4.8453e-02 1.5460e-02 -6.0000e+00 7.0756e-01 5.1724e-02 3.4756e-02 9.5501e-03 -6.0000e+00 4.1864e-01 -1.3867e-02 1.8702e-02 6.5670e-03 -6.0000e+00 1.8078e-01 9.9768e-06 -2.9142e-03 8.8901e-04 5.9962e-05 -6.0000e+00 1.2204e-02 -2.4837e-02 5.0335e-05 12 8 8 10 0 0 -21.49 18.38 4.96 -0.02484 -0.04673 6 6 2 8 0 4000.000 15.00 18.38 19.29 21.79 21.79 19.4 961.63 -57142 900000 900000 155867 30285 900000 145719 900000 27841 187727 900000 212226 39403 -15938 43386 8733 320353 54919 -72208 7737 83846 31651 106273 77523 55380 37680 16079 20134 4853 38859 19111 5875 14068 46998 14813 14736 10321 15417 27548 -3274 14016 -4678 11193 -18824 8632 -10161 -7003 -23536 14192 20684 19645 334 -7549 1219 11306 32580 -2616 -2095 -11724 267 -1958 8339 -7173 5215 -2042 -268 3274 1187 -5037 -3608 2779 -2188 2460 -1195 7330 -3529 845 312 -2424 -5936 1155 6796 519 -1390 3144 6006 2334 -593 -1205 3121 -3480 2717 -19452 768 -2860 3139 2760 -2563 3992 1407 6447 2281 -3323 -3665 808 -3882 -3597 1018 1488 -489 2351 1732 -3998 -939 827 5546 -3762 -1561 -1659 3691 -1063 -49 3183 4362 4570 636 -3225 332 4433 -3826 5000 -573 -2546 -3836 -569 -2578 -1894 108 1862 1803 2834 -1894 161 -4374 900000 900000 4687 1053 900000 4382 900000 1134 5645 900000 6382 1758 -1453 2609 862 9634 3996 -18622 967 5206 3153 5155 5189 4728 3948 2070 2480 638 3770 2484 933 2274 6064 2472 2316 1832 2961 5559 -1031 4109 -1732 3703 -8686 3058 -4431 -2962 -11590 4748 6682 6765 146 -3781 592 5142 12453 -1399 -1112 -6710 135 -1047 4357 -4820 3377 -1458 -174 1966 703 -3293 -2570 2064 -1791 1933 -939 5105 -2462 508 178 -1472 -4255 875 5419 476 -1347 3108 6023 2562 -696 -1440 3470 -3943 2641 -21549 661 -2689 3094 3054 -3256 5136 1841 7780 2640 -3743 -4185 968 -5155 -4968 1414 2162 -750 3745 2844 -6741 -1482 1175 6977 -5142 -2171 -2473 5592 -1733 -78 4782 6216 6132 848 -4368 430 5932 -5794 7343 -922 -4244 -6672 -1019 -4969 -3711 213 3642 3426 5116 -3450 278 SS 20231028T150529.1Z 8701.628809 302 1 24.01 2 61.89 148.36 120.48 331.31 0.00 1 0.00 1 0 25 1.307e-01 2.534e-02 1.089e-01 1.910e-02 2.543180e-01 9.337924e-03 3.103583e-03 -6.000000e+00 7.231467e-02 224.35 -2.00 3.55 -2.00 317.92 0.00e+00 2.593557e-03 1.600813e-03 7.855623e-04 -6.000000e+00 3.196061e-03 280.03 -2.00 20.00 -2.00 317.24 0.00e+00 2.112 0.000 302.00 328.00 3 7.8592e+00 2.4914e-02 2.4585e-02 -6.0000e+00 1.7853e-01 8.3846e-02 2.8319e-02 1.4635e-02 -6.0000e+00 1.9461e-01 5.9191e-02 1.8220e-02 6.3802e-03 -6.0000e+00 1.1604e-01 -3.8277e-02 9.4495e-03 3.0940e-03 -6.0000e+00 4.9680e-02 1.8195e-05 -9.6410e-04 5.3557e-04 2.5712e-05 -6.0000e+00 3.3268e-03 -2.1377e-02 2.0212e-04 12 8 8 10 0 0 63.71 18.37 4.31 -0.02138 -0.02862 6 6 2 8 0 4000.000 14.99 18.37 20.03 21.79 21.79 19.4 966.12 34625 101495 11410 -4478 13210 67104 -16363 14071 8258 38249 30145 8766 -9575 17281 13107 -6043 22009 14416 -3368 -366 15219 -4178 -1126 11120 -159 -4609 -1685 7708 5210 2354 -26853 -10782 2159 11532 9128 8843 -6839 -1557 6466 -3464 2984 -3456 401 -3905 1342 -3138 -1927 -15688 1470 4583 334 -603 -1504 2695 616 4374 -3770 3309 -18 -3386 -913 2329 -660 2016 -2807 451 8379 -938 -1270 -3216 3547 -211 5197 1732 3906 -1073 161 54 -5856 -2107 2824 2857 -5067 -1702 -860 5020 2853 -1506 -2050 3215 1013 -1344 -3271 -12 50 -5860 2556 -224 1103 187 4147 -502 40 5424 2385 -773 -789 1277 -184 -826 821 -721 -4145 -81 -1060 1424 -2030 -3215 -2134 1177 383 -952 2267 -28 2790 -1519 -1910 -1017 1557 -1663 1638 -324 -220 -686 1658 167 16 2058 1153 866 31 -1492 -1973 1810 3150 884 -390 869 2416 -1376 996 692 2540 2133 773 -1153 1856 1700 -1038 3101 2282 -645 -71 2673 -848 -231 2133 -36 -1119 -404 1593 1022 468 -7667 -2831 544 2799 2102 1943 -1919 -475 2183 -1531 1361 -1752 203 -2102 684 -1685 -1008 -9183 711 2134 171 -335 -889 1614 389 2691 -2565 2091 -11 -2215 -599 1593 -507 1625 -2394 341 5398 -640 -907 -2675 3043 -196 4593 1527 3142 -812 112 35 -4197 -1647 2284 2559 -5259 -1772 -950 5625 3437 -1897 -2618 3881 1150 -1423 -3323 -11 50 -6551 2917 -293 1524 256 5105 -595 45 5963 2869 -1010 -1076 1791 -274 -1317 1319 -1194 -6832 -122 -1484 1871 -2743 -4426 -3120 1785 599 -1485 3351 -40 3826 -2077 -2473 -1300 2083 -2455 2467 -496 -340 -1101 2767 298 29 3776 2157 1575 55 -2584 -3337 SS 20231028T151702.0Z 8701.636829 307 1 46.83 2 60.83 151.33 121.36 334.28 0.00 1 0.00 1 0 17 9.364e-03 5.310e-03 6.906e-04 2.290e-04 2.448188e-01 1.116273e-04 2.996169e-03 -6.000000e+00 5.182745e-03 224.35 -2.00 3.55 -2.00 317.27 0.00e+00 4.464560e-04 1.589030e-05 5.243686e-05 -6.000000e+00 2.290253e-04 280.02 -2.00 20.00 -2.00 316.57 0.00e+00 2.042 0.000 302.00 328.00 3 9.1465e-01 2.9289e-04 2.3500e-02 -6.0000e+00 1.2795e-02 -1.2237e-02 3.3077e-04 1.2568e-02 -6.0000e+00 1.3947e-02 -1.9180e-03 1.9889e-04 6.2389e-03 -6.0000e+00 8.3159e-03 -1.5424e-03 9.8806e-05 1.8168e-03 -6.0000e+00 3.5612e-03 2.2167e-02 5.1748e-05 6.3487e-06 1.9280e-05 -6.0000e+00 2.3839e-04 -2.3164e-02 1.8372e-04 10 0 0 10 0 0 99.97 18.37 0.29 -0.02316 -0.02278 2814 869 2 8 0 16.290 15.00 18.37 20.39 21.79 21.79 19.6 969.47 -1948 -1349 -928 -2814 -3925 -3234 -2054 -799 -268 -756 -2453 -2293 -1320 -1095 16 208 -120 192 596 1049 699 285 756 503 11 455 -27 -299 -1011 171 1087 747 1619 -111 -2129 -2087 -1863 -1389 -430 -160 -630 -664 -560 -640 -168 -289 -342 -257 -578 -155 787 733 865 1086 744 954 817 593 525 495 954 1123 1443 1588 361 -127 -314 -630 340 429 377 297 180 427 192 -1 -272 -706 -266 -637 -1026 -952 -1962 -1603 -1146 -756 -387 -145 340 228 401 356 162 398 501 186 417 727 174 -257 -209 -590 -677 -16 -616 -794 -661 -563 -302 172 328 203 161 66 -140 165 122 254 147 121 -283 -25 269 192 644 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