File name: Pandora21s1_Bremen_20250206_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20250206T234551.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20250206_L1_smca1c7d20231020p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20250206 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- 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 20250206T113823.2Z 9168.484990 282 1 49.93 2 68.54 179.89 76.37 67.14 0.00 1 0.00 1 0 17 4.812e-01 1.949e-02 2.710e-01 1.413e-02 4.753959e-01 7.244789e-03 6.115908e-03 -6.000000e+00 2.783628e-01 222.90 -2.00 3.88 -2.00 319.75 0.00e+00 2.798831e-03 1.902271e-03 2.484792e-04 -6.000000e+00 1.151644e-02 265.82 -2.00 20.00 -2.00 319.43 0.00e+00 2.708 0.000 302.00 328.00 3 6.4256e+00 1.9871e-02 3.7681e-02 -6.0000e+00 6.8844e-01 1.8204e-01 2.3214e-02 2.6312e-02 -6.0000e+00 7.5397e-01 -4.3592e-02 1.9987e-02 1.3527e-02 -6.0000e+00 4.4485e-01 1.7482e-02 1.0721e-02 4.0621e-03 -6.0000e+00 1.8354e-01 2.9172e-05 -1.1178e-03 4.3772e-04 5.3033e-05 -6.0000e+00 1.4460e-02 -8.3589e-03 0.0000e+00 12 8 8 10 0 0 98.37 22.86 0.31 -0.00836 -0.01676 13 3 1 5 0 3839.640 25.90 19.99 22.86 13.47 35.6 1047.61 280660 5469 129356 -71073 -4665 -60205 96937 243116 49211 136171 -30809 -19349 -37079 208710 -29409 254976 -4651 -16331 -9775 -16402 -20944 7045 15675 20932 4423 -30392 13222 -8717 42109 -19617 35053 31849 248 2357 -3434 16211 -15788 14569 5029 11745 -7537 1540 -5205 -5072 -1839 -4887 2838 -9366 -985 1531 4570 -214 582 1285 3697 6238 -2687 2794 -6182 6728 1729 4002 1116 5877 -3037 -3863 8178 1778 -1128 -1023 3708 -641 4335 1623 593 -1394 -5863 204 -5514 2825 -1008 -673 316 -680 -82 2550 -884 -283 1689 -3744 2704 -884 365 -1873 -789 917 -1085 1494 -1170 1552 -1146 -435 -2167 -2372 -2852 -1218 1140 414 1866 -231 1682 -904 2422 -1197 -304 -1823 -2174 -506 -1936 712 -548 2261 1225 3600 -1353 51 711 -1397 1690 -586 1126 -222 1569 -743 837 314 -127 1178 -624 -1335 581 326 -2073 3867 113 1782 -2696 -96 -1977 1336 3350 824 1876 -1100 -702 -1861 2876 -1919 3513 -294 -1219 -722 -1328 -1784 472 1013 1367 352 -3393 981 -768 2365 -2058 2526 2645 30 278 -417 1699 -2499 2048 910 2259 -1884 371 -1378 -1359 -483 -1335 724 -2725 -272 437 1374 -73 211 487 1417 2390 -1129 1097 -2601 2522 718 1781 560 2984 -1672 -2059 3804 914 -659 -661 2438 -447 2800 1010 341 -744 -3105 105 -3323 1797 -749 -547 272 -622 -80 2534 -943 -303 1744 -3872 2444 -771 304 -1648 -755 971 -1311 1925 -1602 2016 -1416 -491 -2392 -2709 -3466 -1530 1469 568 2718 -371 2799 -1563 3947 -1908 -453 -2660 -3213 -768 -3127 1154 -892 3483 1841 5084 -1917 69 928 -1939 2477 -950 1903 -394 2840 -1439 1679 656 -273 2505 -1335 -2770 1129 607 -3905 SS 20250206T114407.3Z 9168.488973 286 1 47.71 2 68.54 181.37 75.59 68.15 0.00 1 0.00 1 0 25 1.764e-01 8.283e-03 1.152e-01 5.073e-03 4.772350e-01 2.611870e-03 6.094312e-03 -6.000000e+00 1.020400e-01 222.90 -2.00 3.88 -2.00 320.00 0.00e+00 7.290804e-04 7.377107e-04 2.825199e-04 -6.000000e+00 4.222054e-03 265.82 -2.00 20.00 -2.00 319.67 0.00e+00 2.709 0.000 302.00 328.00 3 4.6961e+00 7.2411e-03 3.7817e-02 -6.0000e+00 2.5236e-01 6.2510e-02 8.5511e-03 2.6519e-02 -6.0000e+00 2.7640e-01 -2.0861e-03 7.7256e-03 1.3759e-02 -6.0000e+00 1.6308e-01 -7.6915e-03 4.1202e-03 4.1902e-03 -6.0000e+00 6.7273e-02 1.7649e-04 -1.1813e-03 1.5996e-04 5.4142e-05 -6.0000e+00 5.3014e-03 -7.1868e-03 0.0000e+00 12 9 1 12 1 1 100.00 22.86 0.48 -0.00719 -0.01606 124 26 1 5 0 381.602 25.90 20.00 22.86 13.57 35.6 1047.88 -57571 69777 -45450 3339 -44380 122041 -12186 -22159 18698 -12681 50693 -20781 72247 -25404 34929 -14094 22482 8 16654 8976 -7889 5800 -25896 14509 -14021 16998 -10738 18987 -5500 517 7155 -6367 4966 -4805 16680 -11390 9390 -4416 7713 -322 1132 1052 -4122 2719 -1687 2532 -7254 3231 -2659 2104 1804 -878 131 -2244 2429 -1719 2467 -3905 1544 208 2044 2308 651 1795 799 1595 -887 3018 267 696 -674 329 439 -1261 2411 -1604 1327 -872 2926 -1691 368 -1549 -1465 -416 -1327 246 -493 608 -744 868 731 818 263 78 1484 75 755 -555 237 -911 337 -499 -262 -73 -1694 -529 -1322 112 -599 707 15 154 55 -174 362 -530 876 -287 417 -245 497 -32 -135 -18 234 731 499 1084 -488 272 -182 499 175 36 -183 14 29 -651 87 -190 285 -430 146 -1484 669 -1174 55 -1040 696 -242 -532 348 -322 801 -667 1254 -1177 1125 -761 960 0 834 497 -512 342 -2112 893 -1171 1115 -887 1179 -422 40 589 -660 503 -535 1508 -1370 1055 -664 1226 -63 235 230 -972 609 -398 579 -1825 750 -672 539 504 -273 43 -800 863 -654 912 -1514 560 77 784 965 303 876 392 749 -419 1433 144 414 -433 213 277 -763 1291 -815 625 -432 1549 -1068 257 -1209 -1219 -363 -1239 239 -501 619 -754 826 649 679 213 66 1351 78 870 -707 310 -1175 399 -551 -278 -80 -2001 -649 -1715 152 -879 1108 25 259 90 -273 533 -763 1258 -435 659 -401 803 -50 -207 -27 331 990 664 1498 -744 446 -317 898 328 70 -380 31 63 -1447 191 -404 576 -840 280 SS 20250206T114840.8Z 9168.492139 289 1 44.55 2 68.57 182.55 74.96 68.95 0.00 1 0.00 1 0 25 2.791e-02 4.283e-03 8.469e-03 5.341e-04 4.725289e-01 2.730149e-04 6.062387e-03 -6.000000e+00 1.613889e-02 222.90 -2.00 3.88 -2.00 319.68 0.00e+00 7.575428e-04 7.234897e-05 2.604391e-04 -6.000000e+00 6.678032e-04 265.82 -2.00 20.00 -2.00 319.36 0.00e+00 2.712 0.000 302.00 328.00 3 1.2116e+00 7.4959e-04 3.7618e-02 -6.0000e+00 3.9914e-02 3.5257e-02 8.7807e-04 2.6236e-02 -6.0000e+00 4.3716e-02 -9.3381e-03 7.7259e-04 1.3566e-02 -6.0000e+00 2.5793e-02 -5.2713e-03 4.1399e-04 4.0921e-03 -6.0000e+00 1.0639e-02 5.9112e-03 -1.1541e-03 1.6553e-05 5.0635e-05 -6.0000e+00 8.3854e-04 -6.5897e-03 0.0000e+00 12 1 1 12 1 1 99.99 22.86 0.17 -0.00659 -0.01526 1105 256 1 5 0 38.364 25.90 19.99 22.86 13.77 35.8 1050.47 -9758 -10071 -4478 -8466 -180 -16784 -2756 -11576 -5924 -8113 -6467 -5402 -6975 -1861 -6322 -1318 -2669 1205 -972 1903 1221 658 -842 -1617 -611 -2088 399 -1597 629 -1151 188 -595 -1091 -834 -1357 -1084 -1794 -1405 -2270 -1416 -1485 -1137 -1098 -479 -254 -465 40 -295 504 285 658 746 823 720 471 917 -9 870 577 1484 1252 1478 956 474 661 324 578 536 760 101 171 -219 -129 -154 66 259 54 506 -227 -203 -820 -1273 -1326 -1034 -871 -586 -275 6 45 273 573 735 1134 939 829 991 641 -51 -334 -252 -552 77 174 -505 -817 -570 -532 -103 51 -56 -78 -200 58 125 474 586 335 194 -346 -553 -250 -202 -276 97 93 614 1005 684 322 154 40 114 100 -52 -231 -88 101 -207 -160 -10 -128 98 -110 -170 -194 -83 -154 -3 -319 -50 -262 -140 -207 -173 -151 -239 -74 -309 -69 -144 67 -59 116 76 42 -58 -121 -48 -172 32 -125 48 -96 18 -63 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