File name: Pandora272s1_Lauder_20251102_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20251102T123236.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Richard Querel Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 272 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora272_OF_v3d20240829.txt Instrument calibration file used: Pandora272s1_CF_v2d20241202.txt Level 1 file used: Pandora272s1_Lauder_20251102_L1_smca1c2d20241202p1-8.txt Full location name: Lauder Atmospheric Research Station Short location name: Lauder Country of location: New Zealand Location latitude [deg]: -45.0380 Location longitude [deg]: 169.6840 Location altitude [m]: 370 Local noon date: 20251102 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: OoB based on session 1 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0435 305.1840 305.3244 305.4648 305.6052 305.7456 305.8860 306.0263 306.1667 306.3070 306.4473 306.5877 306.7280 306.8683 307.0086 307.1488 307.2891 307.4293 307.5696 307.7098 307.8500 307.9902 308.1304 308.2706 308.4108 308.5510 308.6911 308.8313 308.9714 309.1115 309.2516 309.3917 309.5318 309.6719 309.8119 309.9520 310.0920 310.2321 310.3721 310.5121 310.6521 310.7921 310.9320 311.0720 311.2120 311.3519 311.4918 311.6317 311.7717 311.9115 312.0514 312.1913 312.3312 312.4710 312.6109 312.7507 312.8905 313.0303 313.1701 313.3099 313.4496 313.5894 313.7292 313.8689 314.0086 314.1483 314.2880 314.4277 314.5674 314.7071 314.8467 314.9864 315.1260 315.2656 315.4052 315.5448 315.6844 315.8240 315.9636 316.1031 316.2427 316.3822 316.5217 316.6612 316.8007 316.9402 317.0797 317.2192 317.3586 317.4981 317.6375 317.7769 317.9163 318.0557 318.1951 318.3345 318.4738 318.6132 318.7525 318.8918 319.0312 319.1705 319.3097 319.4490 319.5883 319.7276 319.8668 320.0060 320.1453 320.2845 320.4237 320.5629 320.7020 320.8412 320.9804 321.1195 321.2586 321.3977 321.5368 321.6759 321.8150 321.9541 322.0932 322.2322 322.3713 322.5103 322.6493 322.7883 322.9273 323.0663 323.2052 323.3442 323.4831 323.6221 323.7610 323.8999 324.0388 324.1777 324.3166 324.4554 324.5943 324.7331 324.8719 --------------------------------------------------------------------------------------- Column 1: Two letter code of measurement routine Column 2: UT date and time for center-time of measurement, yyyymmddThhmmssZ (ISO 8601) Column 3: Fractional days since 1-Jan-2000 midnight for center-time of measurement Column 4: Routine count (1 for the first routine of the day, 2 for the second, etc.) Column 5: Repetition count (1 for the first set in the routine, 2 for the second, etc.) Column 6: Total duration of measurement set in seconds Column 7: Data processing type index Column 8: Solar zenith angle for center-time of measurement in degree Column 9: Solar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 10: Lunar zenith angle for center-time of measurement in degree Column 11: Lunar azimuth for center-time of measurement in degree, 0=north, increases clockwise Column 12: Pointing zenith angle in degree, absolute or relative (see next column), 999=tracker not used Column 13: Zenith pointing mode: zenith angle is... 0=absolute, 1=relative to sun, 2=relative to moon Column 14: Pointing azimuth in degree, increases clockwise, absolute (0=north) or relative (see next column), 999=tracker not used Column 15: Azimuth pointing mode: like zenith angle mode but also fixed scattering angles relative to sun (3) or moon (4) Column 16: Fitting result index: 0=no error or warning, 1, 2=warning, >2=error Column 17: Number of function evaluations used, 0=linear fitting or fitting not successful or no fitting done Column 18: rms of unweighted fitting residuals, -9=fitting not successful Column 19: Normalized rms of fitting residuals weighted with independent uncertainty, -9=fitting not successful or no uncertainty used Column 20: Expected rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 21: Expected normalized weighted rms based on independent uncertainty, -9=fitting not successful or no uncertainty given Column 22: Ozone slant column amount [moles per square meter], -9e99=fitting not successful Column 23: Independent uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 24: Structured uncertainty of ozone slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 25: Common uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 26: rms-based uncertainty of ozone slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 27: Ozone effective temperature [K] Column 28: Independent uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 29: Structured uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 30: Common uncertainty of ozone effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 31: Effective ozone fitting wavelength [nm], -9=fitting not successful Column 32: Diffuse correction applied before fitting at effective fitting wavelength for ozone [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 33: Sulfur dioxide slant column amount [moles per square meter], -9e99=fitting not successful Column 34: Independent uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 35: Structured uncertainty of sulfur dioxide slant column amount [moles per square meter], -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 36: Common uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -6=no common uncertainty input was given, -7=not given since method "MEAS" was chosen, -9=spectral fitting not successful Column 37: rms-based uncertainty of sulfur dioxide slant column amount [moles per square meter], -1=cross section is zero in this wavelength range, -3=spectral fitting was done, but no rms-based uncertainty could be retrieved, -9=spectral fitting not successful Column 38: Sulfur dioxide effective temperature [K] Column 39: Independent uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no independent uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -5=no independent uncertainty input was given, -9=spectral fitting not successful Column 40: Structured uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -9=spectral fitting not successful Column 41: Common uncertainty of sulfur dioxide effective temperature [K], -1=temperature fitting was requested, but cross section is zero in this wavelength range, -2=no temperature fitting was requested and output for effective temperature and structured uncertainty of it is based on f-code, -3=spectral fitting was done, but no common uncertainty could be retrieved, -4=temperature fitting was requested, but differential optical depth is too small to retrieve the temperature, -6=no common uncertainty input was given, -9=spectral fitting not successful Column 42: Effective sulfur dioxide fitting wavelength [nm], -9=fitting not successful Column 43: Diffuse correction applied before fitting at effective fitting wavelength for sulfur dioxide [%], 0=no diffuse correction applied or fitting not requested, >0=measured diffuse correction, <0=(negative value of) calculated diffuse correction Column 44: Molecular scattering air mass factor used for molecular scattering subtraction before the fitting Column 45: Estimated uncertainty of molecular scattering air mass factor, -9=molecular scattering was not subtracted before the fitting Column 46: Lower limit used for wavelength scaling [nm] Column 47: Upper limit used for wavelength scaling [nm] Column 48: Order of smoothing polynomial Column 49: Smoothing polynomial coefficient, order 0 Column 50: Independent uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 51: Structured uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 52: Common uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 53: rms-based uncertainty of smoothing polynomial coefficient, order 0, -9=fitting not successful Column 54: Smoothing polynomial coefficient, order 1 Column 55: Independent uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 56: Structured uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 57: Common uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 58: rms-based uncertainty of smoothing polynomial coefficient, order 1, -9=fitting not successful Column 59: Smoothing polynomial coefficient, order 2 Column 60: Independent uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 61: Structured uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 62: Common uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 63: rms-based uncertainty of smoothing polynomial coefficient, order 2, -9=fitting not successful Column 64: Smoothing polynomial coefficient, order 3 Column 65: Independent uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 66: Structured uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 67: Common uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 68: rms-based uncertainty of smoothing polynomial coefficient, order 3, -9=fitting not successful Column 69: Mean value of measured data inside fitting window [same units as measurements] Column 70: Wavelength change polynomial coefficient, order 0 Column 71: Independent uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 72: Structured uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 73: Common uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 74: rms-based uncertainty of wavelength change polynomial coefficient, order 0, -9=fitting not successful Column 75: L1 based wavelength change coefficient, order 0, -9=no L1 wavelength change determination Column 76: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: L2Fit data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 78: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ1 limit, 0=L1 data quality above 0, 1=Spectral fitting was not successful, 2=Wavelength shift too large, 3=Normalized rms of fitting residuals weighted with independent uncertainty too large Column 79: Sum over 2^i using those i, for which the corresponding L2Fit data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 80: L1 data quality flag: 0=assured high quality, 1=assured medium quality, 2=assured low quality, 10=not-assured high quality, 11=not-assured medium quality, 12=not-assured low quality Column 81: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ1 limit, 0=Saturated data, 1=Too few dark counts measurements, 2=No temperature given or effective temperature too different from the reference temperature, 3=Dark count too high, 4=Unsuccessful dark background fitting, 5=The dark count differs significantly from the dark map for too many pixels, 6=Absolute value of estimated average residual stray light level too high, 7=Although attempted, no wavelength change could be retrieved, 8=Absolute value of retrieved wavelength shift too large, 9=Retrieved wavelength shift differs too much from the shift predicted by the effective temperature Column 82: Sum over 2^i using those i, for which the corresponding L1 data quality parameter exceeds the DQ2 limit (same parameters as for DQ1) Column 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: Normalized slant column residuals weighted with independent instrumental uncertainty for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting, 0=no independent instrumental uncertainty was given --------------------------------------------------------------------------------------- SU 20251101T192544.9Z 9436.809548 577 1 53.66 2 68.96 89.97 125.78 212.89 0.00 1 0.00 1 0 17 1.086e-01 1.449e-02 1.734e-02 2.366e-03 4.104483e-01 1.216349e-03 5.072104e-03 -6.000000e+00 6.309237e-02 229.56 -2.00 3.69 -2.00 318.72 0.00e+00 4.471970e-04 2.571399e-04 3.095606e-04 -6.000000e+00 2.724434e-03 275.52 -2.00 20.00 -2.00 318.15 0.00e+00 2.759 0.000 302.00 328.00 3 4.8455e+00 3.3204e-03 3.4724e-02 -6.0000e+00 1.5771e-01 1.4079e-02 3.7825e-03 2.2458e-02 -6.0000e+00 1.7085e-01 -3.2850e-02 2.6807e-03 1.1138e-02 -6.0000e+00 1.0110e-01 1.8778e-02 1.4095e-03 3.1733e-03 -6.0000e+00 4.2904e-02 1.7921e-04 -8.9273e-04 6.7969e-05 3.3930e-05 -6.0000e+00 3.0119e-03 1.9467e-02 -1.4318e-04 12 9 8 11 8 0 99.89 25.20 0.31 0.01947 0.01276 18 2 1 8 0 2980.480 19.99 25.20 13.42 35.00 33.75 1.2 936.13 -33162 -1128 -2257 12315 900000 -14777 -40182 -70661 -28077 -50940 -28430 -18920 5881 -19957 -6560 -2351 -22479 7140 -17512 4870 7735 2235 -7565 8205 7406 -2172 1295 11177 8383 -562 -7976 4827 1448 18803 -11236 19458 -2702 -4800 -83 5346 -2214 10113 -572 -66 -557 6870 2350 4003 -5638 5432 4707 2949 1433 910 71 -62 1857 -1116 -2316 4950 3651 3403 1631 1599 -2074 -1608 4051 -3390 808 281 1121 673 -967 1209 -1021 -1674 459 -2858 -1891 -1619 -2228 -89 -2289 -2897 -1864 62 -603 236 18 -420 354 42 213 -633 -493 -4 -1192 1305 460 2541 91 -1416 -2919 354 992 -1023 -401 737 -783 -430 997 249 -530 1163 234 79 -740 659 -310 744 -147 29 889 361 1941 567 -410 118 187 -253 1060 -217 -279 -615 27 -49 7 97 240 21 8 -576 -989 -1446 -40 -85 381 900000 -529 -1993 -5331 -1555 -3808 -1725 -1113 316 -1653 -562 -220 -2780 700 -2327 541 853 260 -1007 1003 969 -328 192 1431 1041 -78 -1312 779 269 3106 -2385 2977 -566 -1083 -21 1570 -783 3347 -220 -26 -218 2515 898 1497 -2335 2065 1936 1347 653 447 37 -34 1002 -622 -1278 2504 1916 1923 1034 1110 -1422 -1130 2555 -2283 550 201 886 563 -827 975 -784 -1262 308 -1898 -1301 -1167 -1848 -82 -2166 -2905 -1973 69 -666 268 21 -473 395 43 204 -592 -485 -4 -1387 1672 607 3305 115 -1796 -3450 400 1198 -1344 -513 987 -1130 -627 1551 409 -868 1787 359 113 -1049 950 -479 1139 -233 45 1341 562 2818 797 -557 168 267 -395 1650 -362 -480 -1037 48 -93 13 182 456 39 14 -1044 -1732 SS 20251101T201624.2Z 9436.844725 640 1 55.88 2 60.05 80.65 129.72 198.40 0.00 1 0.00 1 0 17 4.793e-02 1.193e-02 6.538e-03 1.904e-03 3.071478e-01 9.740633e-04 3.863807e-03 -6.000000e+00 2.782367e-02 229.56 -2.00 3.69 -2.00 317.37 0.00e+00 4.790246e-04 1.388822e-04 1.521823e-04 -6.000000e+00 1.182186e-03 275.52 -2.00 20.00 -2.00 316.78 0.00e+00 1.994 0.000 302.00 328.00 3 5.3502e+00 2.5784e-03 2.5453e-02 -6.0000e+00 6.9596e-02 2.2313e-02 2.8847e-03 1.6683e-02 -6.0000e+00 7.5375e-02 -1.7566e-02 1.7656e-03 8.2111e-03 -6.0000e+00 4.4639e-02 9.2776e-03 8.8108e-04 2.3156e-03 -6.0000e+00 1.8941e-02 2.5157e-04 -7.1610e-04 5.4670e-05 2.5923e-05 -6.0000e+00 1.3182e-03 1.7878e-02 -1.2928e-04 12 8 8 10 0 0 99.77 25.21 0.11 0.01788 0.01250 17 2 1 8 0 3286.460 20.01 25.21 15.73 35.00 33.75 1.1 947.23 -2656 1855 -166 4471 31068 -7207 -12734 -27968 -5224 -16668 -11312 -4730 4579 -6372 -3718 970 -9702 3990 -6662 605 1849 2211 -3365 3647 2520 579 603 4699 3932 -483 -2814 3613 2511 7060 -7344 6754 -4271 -2260 288 1405 -1436 4440 144 795 44 2093 1337 1023 -4335 2195 2414 1748 896 694 -129 117 698 -457 -1077 2063 1906 2817 873 1662 -502 -692 2177 -2796 1397 338 709 130 -498 1190 -412 -1384 -260 -2030 -1843 -1317 -2108 -377 -2531 -3062 -1676 8 -51 88 73 -484 8 130 -462 -899 -657 -355 -224 1762 628 1956 278 -1005 -2466 219 796 -1084 -283 267 -190 135 767 336 -146 1040 279 -121 -666 186 -435 546 20 -63 738 319 1838 756 -336 338 -178 369 575 177 -59 -737 56 -285 -262 437 186 229 -258 -575 -1130 -261 192 -18 438 2077 -683 -1355 -3848 -637 -2420 -1554 -631 631 -1029 -673 187 -2198 824 -1601 140 431 510 -843 903 662 161 170 1200 941 -120 -768 1002 768 2156 -2443 1898 -1460 -872 119 678 -788 2412 78 434 24 1220 775 583 -2575 1229 1425 1032 566 466 -91 84 508 -337 -783 1436 1360 2128 680 1386 -435 -563 1730 -2112 1052 290 627 122 -474 1076 -379 -1161 -209 -1572 -1460 -1080 -1969 -360 -2674 -3196 -1839 10 -63 105 89 -609 10 139 -487 -905 -684 -405 -266 2168 845 2603 357 -1291 -2971 255 995 -1387 -375 370 -263 198 1196 515 -221 1551 387 -166 -893 255 -636 800 31 -96 1087 456 2590 1025 -439 455 -240 532 830 268 -91 -1185 89 -483 -459 739 321 387 -444 -955 -1824 SS 20251101T201833.0Z 9436.846216 642 1 16.45 2 59.67 80.24 129.85 197.75 0.00 1 0.00 1 0 25 3.823e-02 1.125e-02 1.115e-02 3.499e-03 3.023256e-01 1.789813e-03 3.810844e-03 -6.000000e+00 2.219153e-02 229.56 -2.00 3.69 -2.00 317.26 0.00e+00 3.727823e-04 2.470034e-04 1.717641e-04 -6.000000e+00 9.428302e-04 275.52 -2.00 20.00 -2.00 316.67 0.00e+00 1.972 0.000 302.00 328.00 3 5.1991e+00 4.7175e-03 2.5106e-02 -6.0000e+00 5.5509e-02 1.3513e-02 5.2735e-03 1.6404e-02 -6.0000e+00 6.0116e-02 -1.0594e-02 3.2039e-03 8.0635e-03 -6.0000e+00 3.5602e-02 5.5121e-03 1.5882e-03 2.2609e-03 -6.0000e+00 1.5108e-02 3.0188e-04 -8.2846e-04 1.0055e-04 2.5789e-05 -6.0000e+00 1.0513e-03 1.7451e-02 -1.2686e-04 12 9 9 12 1 1 91.50 25.21 0.21 0.01745 0.01123 4 2 1 8 0 3289.150 20.00 25.21 15.86 35.00 33.75 1.1 947.72 -887 621 163 8866 19592 -11409 -11790 -19328 -7506 -13781 -9808 -5478 4607 -3566 -1807 -792 -7127 6328 -6244 94 2117 324 -2763 3902 2574 127 -1910 1506 595 260 -1914 1887 2718 5764 -7983 5223 -3124 -2772 791 1077 -877 2390 340 1440 1065 1651 1147 1515 -2561 880 1714 1986 -278 759 -1045 261 948 -150 -209 2270 2545 3475 1162 2031 -685 -984 1606 -2869 1269 473 812 297 -535 1024 -1440 -756 -459 -2107 -2699 -1466 -1439 -445 -2259 -3051 -1931 -10 -370 -371 402 -195 12 300 -656 -84 -227 -128 -217 2019 1038 1680 -96 -1099 -2318 85 145 -605 -604 646 -391 -281 858 452 144 1218 230 -38 -1020 243 -494 622 297 150 636 466 1468 629 -358 168 -255 -196 189 -16 329 -615 3 -317 -42 314 -65 278 -87 -727 -750 -92 70 19 895 1584 -1215 -1340 -2631 -1012 -1911 -1436 -794 684 -603 -345 -167 -1691 1372 -1606 24 529 82 -740 1037 728 38 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