File name: Pandora133s1_Heidelberg_20250210_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20250211T001012.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20250210_L1_smca1c3d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20250210 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: 227 368 Nominal wavelengths inside fitting window [nm]: 305.0728 305.2141 305.3553 305.4966 305.6378 305.7790 305.9202 306.0614 306.2026 306.3438 306.4849 306.6261 306.7672 306.9083 307.0494 307.1905 307.3316 307.4727 307.6138 307.7548 307.8959 308.0369 308.1779 308.3189 308.4599 308.6009 308.7418 308.8828 309.0238 309.1647 309.3056 309.4465 309.5874 309.7283 309.8692 310.0100 310.1509 310.2917 310.4326 310.5734 310.7142 310.8550 310.9958 311.1365 311.2773 311.4180 311.5588 311.6995 311.8402 311.9809 312.1216 312.2623 312.4029 312.5436 312.6842 312.8249 312.9655 313.1061 313.2467 313.3872 313.5278 313.6684 313.8089 313.9494 314.0900 314.2305 314.3710 314.5115 314.6519 314.7924 314.9328 315.0733 315.2137 315.3541 315.4945 315.6349 315.7753 315.9157 316.0560 316.1964 316.3367 316.4770 316.6173 316.7576 316.8979 317.0382 317.1784 317.3187 317.4589 317.5991 317.7393 317.8795 318.0197 318.1599 318.3001 318.4402 318.5804 318.7205 318.8606 319.0007 319.1408 319.2809 319.4209 319.5610 319.7010 319.8411 319.9811 320.1211 320.2611 320.4011 320.5410 320.6810 320.8209 320.9609 321.1008 321.2407 321.3806 321.5205 321.6604 321.8002 321.9401 322.0799 322.2198 322.3596 322.4994 322.6392 322.7789 322.9187 323.0585 323.1982 323.3379 323.4776 323.6173 323.7570 323.8967 324.0364 324.1760 324.3157 324.4553 324.5949 324.7346 324.8741 --------------------------------------------------------------------------------------- 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 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 20250210T095407.8Z 9172.412591 328 1 7.28 2 67.74 152.30 106.07 358.98 0.00 1 0.00 1 0 17 2.021e-01 1.833e-02 1.701e-01 1.168e-02 4.404256e-01 5.896380e-03 5.464100e-03 -6.000000e+00 1.149614e-01 223.70 -2.00 3.74 -2.00 319.08 0.00e+00 5.298994e-03 1.364296e-03 4.927357e-04 -6.000000e+00 4.819035e-03 267.97 -2.00 20.00 -2.00 318.66 0.00e+00 2.618 0.000 302.00 328.00 3 5.4670e+00 1.6000e-02 3.4885e-02 -6.0000e+00 2.8442e-01 1.0150e-01 1.8417e-02 2.3905e-02 -6.0000e+00 3.0968e-01 -6.2618e-02 1.4436e-02 1.3198e-02 -6.0000e+00 1.8340e-01 2.2669e-02 7.7655e-03 7.1585e-03 -6.0000e+00 7.8548e-02 9.3641e-05 1.4772e-03 3.3417e-04 6.3797e-05 -6.0000e+00 5.5070e-03 7.3123e-03 0.0000e+00 12 9 9 12 1 1 999.00 21.91 0.28 0.00731 0.01841 1 4 1 8 0 3633.520 20.01 21.91 10.20 26.00 26.11 2.0 808.13 155877 -32114 30934 270 68811 -38592 -33298 -20874 72344 -56937 -32010 76260 -13363 -30549 -3485 -8584 35041 31813 360 -20606 6337 -9230 370 3414 8364 -19227 4452 -5738 -13121 18705 9059 474 6959 -2266 -3415 89 6138 12 22 -8318 1507 1354 5235 -1644 8328 326 -79 -1794 -3246 -624 4013 4701 601 1145 2247 -850 -249 3196 -2368 -3225 953 -1044 4132 4071 -3321 1400 782 1314 839 231 -2199 3100 877 1270 3776 -1374 -2291 -1757 -4695 -2047 -2494 1120 -2320 -1607 -1761 2186 -1597 3178 3233 2200 1530 778 -3994 313 -2176 -1366 1938 1511 60 1707 -7672 166 -1031 718 -4663 -797 24 -330 532 150 1132 -191 940 -97 483 1098 -1170 841 308 1237 -339 799 1560 -389 100 -1295 489 1721 -168 924 502 -388 -1711 125 -709 576 1192 584 -405 -16 -649 -1206 1776 -1264 696 8 918 -1409 -1225 -752 1173 -3259 -1468 1401 -697 -2307 -242 -716 2078 2094 33 -2431 583 -982 37 348 842 -2619 484 -658 -1579 1819 1091 70 1059 -382 -549 14 1025 2 5 -2488 442 418 1616 -548 2563 110 -27 -626 -1158 -228 1527 1907 267 533 1072 -423 -124 1524 -1167 -1615 481 -584 2422 2541 -2179 844 462 790 555 169 -1735 2381 669 923 2481 -868 -1386 -1079 -3267 -1567 -2111 997 -2214 -1596 -1854 2326 -1798 3517 3541 2319 1523 733 -3776 297 -2272 -1561 2366 1996 82 2224 -10130 194 -1184 848 -6015 -1034 33 -467 786 235 1830 -314 1486 -148 701 1561 -1714 1268 487 1974 -541 1240 2363 -578 143 -1819 675 2462 -261 1503 846 -675 -3086 231 -1370 1125 2345 1163 -804 -30 -1212 -2203 SS 20250210T122802.4Z 9172.519472 404 1 11.44 2 64.48 193.05 99.84 32.59 0.00 1 0.00 1 0 25 5.309e-02 9.872e-03 3.279e-02 4.487e-03 3.734489e-01 2.250923e-03 4.634637e-03 -6.000000e+00 3.018864e-02 223.70 -2.00 3.74 -2.00 318.52 0.00e+00 1.540064e-03 4.412644e-04 2.114112e-04 -6.000000e+00 1.265900e-03 267.97 -2.00 20.00 -2.00 318.08 0.00e+00 2.307 0.000 302.00 328.00 3 5.0302e+00 6.0234e-03 3.0130e-02 -6.0000e+00 7.4688e-02 1.3331e-02 6.8421e-03 1.9909e-02 -6.0000e+00 8.1331e-02 1.9786e-03 4.8769e-03 1.0211e-02 -6.0000e+00 4.8167e-02 -4.6478e-03 2.6063e-03 3.6734e-03 -6.0000e+00 2.0621e-02 2.2308e-04 2.0098e-03 1.3031e-04 3.5977e-05 -6.0000e+00 1.4469e-03 9.9889e-03 0.0000e+00 12 9 9 12 1 1 97.53 22.29 0.12 0.00999 0.02509 5 7 1 8 0 1883.780 19.99 22.29 14.44 26.32 26.41 1.9 834.82 28437 -15684 16475 489 -2339 -5087 10171 -29770 2346 -8913 -4543 -11371 -7761 -11375 8607 -6638 12432 -1895 13020 -6910 4201 -4793 3281 -8839 313 -6539 389 -1220 3911 -2005 5024 -3323 4478 -7646 -4005 -5886 -1487 -5239 32 -1099 932 -1088 -448 252 4969 572 61 -823 -870 -186 2649 2286 1638 407 2204 739 1509 3024 -887 -1318 1228 946 3216 1084 -29 -364 -2686 -1022 56 1171 788 1952 1247 947 -701 -716 -1537 -1895 -1614 -1633 -1991 -1400 -1959 -1384 -929 -98 -67 1906 1130 762 447 226 -2116 -451 -410 17 969 1396 130 -79 -621 -1367 -915 -576 -1513 -822 -593 16 118 906 679 188 171 -507 -970 172 -873 576 126 834 94 1630 636 53 -6 -463 -245 1213 -147 218 -137 -84 -351 188 147 99 176 558 -18 15 -705 -1031 883 -812 644 21 -92 -208 391 -1856 120 -528 -261 -763 -592 -1062 773 -768 1275 -237 1484 -983 543 -677 449 -1446 49 -1142 63 -189 563 -321 829 -655 900 -1722 -821 -1266 -343 -1461 10 -394 351 -437 -184 103 1965 238 25 -342 -364 -81 1206 1108 846 222 1217 421 863 1701 -504 -758 727 602 2171 780 -21 -246 -1799 -692 41 928 662 1654 1036 758 -528 -499 -1025 -1284 -1182 -1333 -1777 -1339 -1951 -1432 -1016 -111 -78 2219 1310 847 470 225 -2068 -448 -435 20 1206 1844 177 -104 -776 -1626 -1070 -700 -1950 -1087 -811 23 176 1404 1086 302 266 -756 -1385 239 -1246 848 195 1309 147 2487 958 77 -9 -638 -337 1715 -221 342 -224 -140 -597 331 268 184 334 1060 -33 27 -1269 -1815 SS 20250210T123522.4Z 9172.524565 408 1 32.88 2 64.77 194.99 99.23 34.09 0.00 1 0.00 1 0 25 2.952e-02 8.072e-03 1.114e-02 1.546e-03 3.815015e-01 7.759767e-04 4.746193e-03 -6.000000e+00 1.678522e-02 223.70 -2.00 3.74 -2.00 318.56 0.00e+00 1.420993e-03 1.541816e-04 3.037769e-04 -6.000000e+00 7.037925e-04 267.97 -2.00 20.00 -2.00 318.12 0.00e+00 2.331 0.000 302.00 328.00 3 4.0907e+00 2.0818e-03 3.0607e-02 -6.0000e+00 4.1528e-02 2.2462e-02 2.3648e-03 2.0312e-02 -6.0000e+00 4.5220e-02 -1.0726e-02 1.6954e-03 1.0459e-02 -6.0000e+00 2.6781e-02 -6.6258e-04 9.0615e-04 3.6786e-03 -6.0000e+00 1.1466e-02 5.5175e-04 2.0656e-03 4.5009e-05 3.6560e-05 -6.0000e+00 8.0436e-04 9.2892e-03 0.0000e+00 12 9 1 12 9 1 99.56 22.30 0.22 0.00929 0.02481 50 21 1 8 0 644.140 20.02 22.30 14.90 26.32 26.41 1.9 839.13 -7259 -2241 -8163 -4710 -12929 -5729 -13853 -7163 -9731 -7321 -10536 -4329 -6520 -3801 -3033 737 -242 -686 881 2387 -6014 1008 1201 612 -2906 1226 -1829 -1561 -2643 819 -1022 2302 644 -1320 -4424 -3012 -5818 -1683 -1942 -179 -1306 -253 -322 -381 1553 1194 185 751 -1067 408 1091 986 1099 1670 1209 1021 54 1000 78 524 702 1664 2201 2573 -42 618 -1309 -793 856 909 1068 1321 1032 1138 -487 -851 -2219 -1783 -1816 -2037 -1604 -1466 -2372 -1495 -848 -47 133 1179 1154 927 810 -394 -1013 -386 -553 -376 750 962 91 -69 -656 -1615 -730 -187 -1228 -878 -756 -442 504 805 932 324 30 -587 -451 -181 -92 467 644 175 178 779 706 157 477 -780 272 800 368 122 -347 -334 -520 231 288 -133 746 431 -2 -370 -472 -1003 -297 -96 -380 -196 -526 -217 -621 -338 -523 -401 -601 -255 -467 -316 -294 77 -27 -82 109 302 -834 130 163 89 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