File name: Pandora55s1_QueensNY_20240805_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20240806T075604.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20240805_L1_smca1c17d20220526p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20240805 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: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 20240805T105154.6Z 8983.452715 67 1 35.96 2 80.88 75.69 90.74 68.07 0.00 1 0.00 1 0 25 7.808e-01 4.316e-02 2.502e-01 9.082e-03 7.515650e-01 5.515379e-03 9.245473e-03 -6.000000e+00 5.009580e-01 232.12 -2.00 3.51 -2.00 321.56 0.00e+00 1.504691e-02 2.961116e-03 4.037547e-03 -6.000000e+00 2.568982e-02 290.08 -2.00 20.00 -2.00 320.99 0.00e+00 5.980 0.004 302.00 328.00 3 2.3729e+00 2.0341e-02 7.2333e-02 -6.0000e+00 1.2525e+00 8.1844e-01 2.5149e-02 3.9964e-02 -6.0000e+00 1.3593e+00 -1.1766e+00 1.7962e-02 2.2073e-02 -6.0000e+00 7.9835e-01 4.9145e-01 8.7370e-03 1.2417e-02 -6.0000e+00 3.3423e-01 5.2121e-05 -2.1689e-03 2.7648e-04 2.5482e-04 -6.0000e+00 2.5518e-02 1.4040e-02 0.0000e+00 12 9 9 12 37 5 25.79 18.75 0.80 0.01404 -0.00226 13 4 1 5 0 2568.080 26.11 20.01 18.75 30.53 38.0 1088.12 -105307 900000 -118815 900000 900000 900000 900000 900000 56019 -59221 12806 -84232 900000 900000 900000 -60300 900000 137833 900000 38742 900000 900000 -55246 900000 39662 900000 101456 26244 -49457 160415 208219 489903 84704 129449 900000 62403 28667 247665 900000 12874 900000 8852 66973 74745 900000 56163 900000 166963 167427 76053 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1251 -267 -3625 -557 742 -3137 -857 -6010 -4330 -3044 -1640 -372 -2895 -779 2431 1448 -3728 -2339 -4549 -2254 3819 1342 -8683 -1292 -1257 -2944 -1092 922 6161 -192 951 -3350 -574 7611 9377 3132 2592 -346 2058 1859 -2758 4256 5768 5922 4042 3772 -414 -4062 1239 -1145 -4129 -3477 -1818 -688 -3554 SS 20240805T110313.0Z 8983.460567 72 1 50.72 2 78.80 77.44 88.83 69.87 0.00 1 0.00 1 0 25 4.703e-01 1.377e-02 1.328e-01 2.783e-03 6.695634e-01 1.563866e-03 7.579907e-03 -6.000000e+00 2.881937e-01 232.12 -2.00 3.51 -2.00 320.86 0.00e+00 6.116851e-03 7.141459e-04 4.070851e-04 -6.000000e+00 1.344318e-02 290.08 -2.00 20.00 -2.00 320.18 0.00e+00 4.965 0.002 302.00 328.00 3 1.8681e+00 5.1967e-03 6.1341e-02 -6.0000e+00 7.2188e-01 1.0888e-01 6.8848e-03 3.6712e-02 -6.0000e+00 7.8062e-01 -1.3699e-01 6.3260e-03 1.9684e-02 -6.0000e+00 4.6370e-01 4.6846e-02 3.0549e-03 1.0153e-02 -6.0000e+00 1.9468e-01 2.7890e-04 -2.3657e-04 8.1600e-05 1.0407e-04 -6.0000e+00 1.4498e-02 1.3802e-02 0.0000e+00 12 9 9 12 4 4 32.16 18.71 0.35 0.01380 0.01202 67 13 1 5 0 756.840 26.11 20.00 18.71 31.50 38.2 1093.63 -203562 900000 -205064 -146059 132421 -157808 900000 -20432 -47920 -174446 -130345 -145044 -98673 900000 -26015 -78653 -47387 900000 113268 -33485 -7175 32703 -74843 -17545 -26585 900000 -19096 -45720 -47991 -32173 41319 -19936 -4349 -8458 138592 -9389 -15747 18488 23419 -6744 9212 -9361 -6012 1268 23509 -3830 8069 10880 15732 -275 3309 -5116 17554 13127 6085 10182 7074 5105 3437 2471 9964 3882 -2815 6953 -3412 9510 -809 3142 2108 489 1438 1848 -2110 3315 25 705 5633 -1134 -456 -2242 3029 -2160 -1172 -2662 -1188 -2820 -1485 -1963 -434 -216 -674 987 1154 665 172 -672 64 -690 -467 -315 -332 301 1445 171 -897 -996 -1022 -474 884 15 -1251 33 -310 -334 318 1100 1283 475 -297 -1216 -571 453 903 223 239 221 1733 742 -80 530 495 671 386 537 -228 -241 199 -221 -905 -474 -432 246 -77 -3705 900000 -4342 -1700 359 -2035 900000 -86 -288 -3778 -2060 -3198 -1805 900000 -376 -2189 -1105 900000 670 -843 -145 460 -3054 -450 -787 900000 -548 -1689 -1898 -1246 962 -973 -204 -426 1727 -488 -979 997 1438 -628 819 -1049 -687 139 2163 -465 911 1251 1832 -40 519 -958 2909 2428 1264 2116 1531 1122 755 551 2185 995 -858 2130 -1189 2928 -274 1075 806 211 664 874 -1015 1445 11 270 1976 -439 -195 -1128 1656 -1370 -794 -1929 -899 -2274 -1233 -1667 -362 -175 -522 718 820 492 141 -621 66 -784 -561 -380 -383 321 1449 174 -960 -1119 -1198 -584 1157 22 -1928 52 -498 -525 481 1615 1888 724 -474 -2003 -936 721 1398 339 353 319 2426 1075 -125 901 898 1273 760 1101 -491 -535 450 -507 -2081 -1069 -940 512 -157 SS 20240805T110931.9Z 8983.464953 75 1 50.66 2 77.63 78.42 87.75 70.87 0.00 1 0.00 1 0 25 3.213e-01 9.212e-03 6.267e-02 1.861e-03 6.261029e-01 1.022396e-03 7.105187e-03 -6.000000e+00 1.954023e-01 232.12 -2.00 3.51 -2.00 320.48 0.00e+00 3.617479e-03 4.131105e-04 3.380415e-04 -6.000000e+00 8.845841e-03 290.08 -2.00 20.00 -2.00 319.76 0.00e+00 4.531 0.002 302.00 328.00 3 1.6187e+00 3.2172e-03 5.6387e-02 -6.0000e+00 4.8941e-01 5.1785e-02 4.1210e-03 3.3887e-02 -6.0000e+00 5.2838e-01 -4.8743e-02 3.6965e-03 1.7216e-02 -6.0000e+00 3.1381e-01 8.6234e-03 1.8340e-03 7.3084e-03 -6.0000e+00 1.3246e-01 5.6876e-04 -1.3689e-04 5.4327e-05 7.3614e-05 -6.0000e+00 9.8292e-03 1.4215e-02 0.0000e+00 12 9 1 12 4 4 35.30 18.73 0.23 0.01422 0.01319 107 20 1 5 0 473.190 26.21 19.98 18.73 32.02 38.1 1095.64 -141875 900000 -162680 -98079 -46891 -95665 900000 -13909 -91854 -118919 -88081 -91935 -54445 79271 -24036 -64440 -5635 54660 34831 -34742 1893 2429 -39464 -13119 -12453 83733 -17574 -18093 -32337 -14248 5197 -2944 -8909 -5608 26689 -7560 -10323 4152 2756 -3867 -250 -7031 -627 -2564 9324 -4832 9272 3320 5519 2706 2069 -1566 7340 6409 1580 3481 703 3474 87 1191 4317 2304 -680 2483 -1019 3255 -194 1526 1824 -129 1042 582 -1392 1102 307 936 1892 818 31 -1413 703 -1513 -1426 -1489 -1260 -1538 -1080 -867 -671 -267 134 988 1329 889 1079 251 418 -338 -374 -418 -412 265 1066 -181 -1086 -827 -877 -157 514 33 -856 -180 -368 24 396 982 1239 377 -331 -937 -339 28 405 56 283 126 1343 701 93 395 132 569 193 377 -362 -24 241 -499 -782 -206 -100 -45 205 -1995 900000 -3161 -1004 -285 -965 900000 -82 -1243 -2224 -1363 -1760 -926 480 -469 -2112 -120 724 599 -1185 48 62 -1578 -448 -451 1284 -692 -713 -1503 -627 225 -161 -568 -358 1257 -504 -801 336 269 -462 -32 -1013 -89 -380 1267 -763 1326 520 893 484 409 -353 1659 1566 423 955 200 965 25 335 1242 739 -249 958 -418 1269 -77 627 825 -66 563 324 -777 577 151 422 813 364 15 -809 445 -1073 -1083 -1191 -1058 -1358 -987 -807 -621 -239 115 796 1044 722 950 247 456 -404 -471 -528 -497 298 1138 -196 -1236 -981 -1083 -202 701 48 -1342 -290 -597 38 604 1455 1841 579 -530 -1543 -557 44 635 85 424 183 1912 1025 145 666 236 1058 372 752 -754 -52 526 -1105 -1741 -450 -210 -91 409 SS 20240805T111502.6Z 8983.468780 78 1 50.46 2 76.61 79.28 86.80 71.74 0.00 1 0.00 1 0 25 2.043e-01 7.170e-03 4.314e-02 1.416e-03 5.846487e-01 7.681683e-04 6.662619e-03 -6.000000e+00 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