File name: Pandora159s1_Wakkerstroom_20210711_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T031211.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: B. Scholes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora159_OF_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20210711_L1_smca1c3d20201207p1-8.txt Full location name: Global Change Institute, University of Witwatersrand field site in Wakkerstroom Short location name: Wakkerstroom Country of location: South Africa Location latitude [deg]: -27.3493 Location longitude [deg]: 30.1438 Location altitude [m]: 1760 Local noon date: 20210711 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: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°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 20210711T051539.9Z 7862.219211 21 1 50.51 2 85.57 62.33 99.41 67.79 0.00 1 0.00 1 0 17 7.045e-01 8.905e-02 5.077e-01 8.174e-02 1.025981e+00 4.863354e-02 1.179303e-02 -6.000000e+00 4.131446e-01 225.37 -2.00 3.06 -2.00 321.58 0.00e+00 -3.185518e-02 1.208958e-02 4.869610e-03 -6.000000e+00 2.034754e-02 276.86 -2.00 20.00 -2.00 320.91 0.00e+00 10.776 0.008 302.00 328.00 3 1.1843e+00 1.5019e-01 1.1657e-01 -6.0000e+00 1.0313e+00 2.1913e+00 1.7411e-01 1.0922e-01 -6.0000e+00 1.1335e+00 -2.5259e+00 9.8519e-02 2.2588e-02 -6.0000e+00 6.6544e-01 9.2847e-01 5.8098e-02 2.9499e-02 -6.0000e+00 2.8460e-01 7.7274e-06 -2.9215e-03 2.1918e-03 2.8794e-04 -6.0000e+00 2.0266e-02 5.5509e-03 12 9 8 11 8 0 75.14 18.32 1.24 0.00555 -0.01640 14 3 4 8 0 3607.530 15.00 18.32 2.97 20.87 20.87 15.9 810.65 900000 109884 900000 170403 164879 -8857 -51406 900000 64130 900000 139270 900000 68553 900000 900000 900000 158615 75674 900000 -24458 -37756 -7848 900000 900000 900000 -23671 50590 -53575 37286 -40520 900000 171122 -35633 900000 219782 900000 153430 900000 33281 92953 -8863 52780 7114 -3589 -10199 86191 900000 -10356 900000 -31428 92719 24034 900000 20214 900000 694 172561 203069 99973 34650 7616 161099 -41075 177794 -6897 152516 24459 139855 76145 -874 30160 31467 14349 -28086 16774 -48632 298388 2998 2630 -1632 45042 11961 -2552 11037 2259 37526 32721 38334 -24960 10377 -8353 61865 -6720 19724 -12981 -4718 5517 2175 7332 -22103 6298 -9311 34038 -12109 26745 -11545 4908 -27291 -5035 -2586 -714 7788 3154 3779 793 -36 -4874 11583 -1820 3304 -331 632 -1500 8348 3406 -4471 7191 5532 5392 2762 2280 -9283 6068 -1681 1511 -3059 -8 -2256 1405 3205 -1496 -180 284 900000 13984 900000 13526 13088 -1676 -15845 900000 8419 900000 11055 900000 8508 900000 900000 900000 12591 7987 900000 -5803 -9156 -1305 900000 900000 900000 -6416 6024 -14129 3249 -6796 900000 13584 -6824 900000 17446 900000 12179 900000 3863 7379 -2015 6611 1305 -648 -1717 6842 900000 -1415 900000 -5609 7360 3019 900000 3040 900000 143 13698 16119 7936 3962 1041 12788 -10066 14113 -1411 12107 3606 11102 8011 -221 6106 6429 3336 -8970 3022 -14345 23686 506 502 -382 7905 3357 -919 3723 872 10773 10156 11315 -13330 3714 -3323 11888 -2523 6197 -6483 -2561 3162 1481 5242 -21344 4333 -6621 14214 -7793 12648 -8385 3213 -26448 -4423 -2601 -814 9096 4019 4832 1015 -46 -6441 13638 -2561 4520 -453 811 -1872 9281 3876 -5351 7507 6270 7179 4465 4193 -20952 12769 -4123 3888 -8709 -22 -6520 3867 8240 -3685 -400 597 SS 20210711T053031.9Z 7862.229535 24 1 49.52 2 82.67 60.46 96.47 66.32 0.00 1 0.00 1 0 25 6.681e-01 1.344e-02 3.068e-01 6.120e-03 8.034347e-01 3.450238e-03 7.616700e-03 -6.000000e+00 3.779968e-01 225.37 -2.00 3.06 -2.00 321.93 0.00e+00 4.607643e-03 1.926534e-03 3.359837e-03 -6.000000e+00 1.926488e-02 276.86 -2.00 20.00 -2.00 321.47 0.00e+00 7.267 0.002 302.00 328.00 3 1.0593e+00 1.2789e-02 7.3234e-02 -6.0000e+00 9.3680e-01 2.1627e-01 1.9910e-02 4.9768e-02 -6.0000e+00 1.0224e+00 -3.1102e-01 2.2528e-02 2.2826e-02 -6.0000e+00 6.0634e-01 1.2028e-01 1.0275e-02 8.3304e-03 -6.0000e+00 2.6014e-01 2.2757e-04 -1.2003e-03 1.7359e-04 8.8270e-05 -6.0000e+00 1.8353e-02 3.7345e-03 12 8 8 10 0 0 85.37 18.31 0.42 0.00373 -0.00529 112 24 4 8 0 442.080 15.00 18.31 4.74 20.77 20.87 16.0 820.93 -273875 900000 -231206 900000 35085 -266360 -153667 -268171 900000 -236071 900000 -220515 900000 -180784 3473 -114211 -90740 -33540 -74326 4754 -83187 -10391 -107496 900000 -78262 900000 -77571 78693 -77894 217437 9629 13483 26333 -45093 52663 -49437 51886 -45496 57194 -18130 13898 -15987 21572 8471 32358 26765 3759 32509 -9540 31653 -5675 22077 9229 16605 -1492 13419 6066 12774 5091 882 15274 2152 21645 -22 13973 1084 12962 1167 12218 3799 3282 1583 -1915 9207 724 8714 -6019 5864 -4886 1832 -2370 3349 -5144 -775 150 -1510 1110 -927 1394 -2352 1317 -2719 2196 -2297 1636 -1605 1198 -26 -912 42 -1015 900 -377 719 -3530 -94 -2483 66 -1744 -240 -803 -929 122 218 799 762 1650 95 581 -1603 -1 -275 544 170 1315 546 1440 1996 -239 632 152 554 -11 668 -737 -185 45 -121 -607 -106 -49 -329 424 -2820 900000 -2005 900000 209 -2887 -916 -3633 900000 -2814 900000 -2868 900000 -2841 21 -1485 -1082 -254 -926 28 -1217 -73 -2097 900000 -1357 900000 -1429 469 -1435 1296 115 175 357 -1344 628 -1473 680 -1726 961 -776 490 -823 807 372 1140 1030 189 1304 -626 1509 -446 1495 790 1449 -167 1353 677 1322 549 97 1506 270 2604 -4 2241 197 2107 225 2377 933 893 456 -559 2245 173 1723 -1308 1182 -1268 540 -867 1338 -2472 -380 78 -774 635 -509 811 -1365 688 -1397 1052 -1220 961 -1152 902 -23 -893 41 -934 787 -302 568 -3125 -85 -2437 68 -1878 -292 -1109 -1381 183 318 1106 1017 2206 136 872 -2538 -2 -399 751 229 1842 745 1889 2760 -358 1083 291 1141 -25 1561 -1875 -492 121 -333 -1665 -277 -118 -743 913 SS 20210711T053651.6Z 7862.233930 27 1 49.74 2 81.46 59.64 95.23 65.67 0.00 1 0.00 1 0 25 4.408e-01 9.715e-03 2.287e-01 3.209e-03 7.268004e-01 1.746738e-03 7.116650e-03 -6.000000e+00 2.492525e-01 225.37 -2.00 3.06 -2.00 321.63 0.00e+00 5.893024e-03 8.874864e-04 4.606973e-03 -6.000000e+00 1.095813e-02 276.86 -2.00 20.00 -2.00 321.14 0.00e+00 6.357 0.002 302.00 328.00 3 8.6162e-01 6.0718e-03 6.8438e-02 -6.0000e+00 6.1669e-01 1.2596e-01 9.0352e-03 5.4007e-02 -6.0000e+00 6.7214e-01 -1.3293e-01 1.0137e-02 2.0331e-02 -6.0000e+00 3.9874e-01 3.9887e-02 4.7433e-03 8.8954e-03 -6.0000e+00 1.6885e-01 5.8977e-04 -1.1531e-03 8.9656e-05 7.4844e-05 -6.0000e+00 1.1784e-02 3.3562e-03 12 8 8 10 0 0 41.48 18.31 0.25 0.00336 -0.00531 194 42 4 8 0 253.740 14.99 18.31 5.71 20.87 20.87 16.2 825.96 -183180 -121915 -206281 -19370 -175008 900000 -177567 -41475 -112434 103267 -120206 -108535 -134297 -82698 -83153 -54117 2559 -32878 7925 -73896 20388 -42790 33124 -29690 -27730 -27898 -18400 -27121 -43643 15370 -32607 32318 -32825 24283 -10427 39970 -24372 5656 -9038 -3985 -7867 -703 8501 -7145 9231 -437 17936 -2977 8033 110 8295 -105 5686 4390 4681 5052 -1301 3308 -2675 2364 837 5478 1496 4338 633 3088 1813 1974 3667 1102 1301 -1540 1383 -755 73 -2004 2318 -1012 -900 -493 -617 -768 -2760 -281 -2177 136 -1100 -19 -426 114 537 346 360 -76 618 -197 996 43 -142 -299 465 -60 1063 -600 -2259 -1742 7554 -1521 -807 -257 -941 -304 -186 665 404 946 497 421 -130 -1030 -886 -519 151 -644 904 -386 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