File name: Pandora21s1_Bremen_20220419_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T103804.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20220419_L1_smca1c1d20201116p1-8.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: 20220419 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: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- 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 20220419T061913.8Z 8144.263354 249 1 1.95 2 72.79 94.25 97.30 242.06 0.00 1 0.00 1 0 25 3.033e-01 1.650e-02 2.220e-01 1.212e-02 5.529571e-01 6.418490e-03 7.028628e-03 -6.000000e+00 1.814175e-01 228.06 -2.00 3.88 -2.00 319.57 0.00e+00 3.581502e-03 1.656436e-03 3.302120e-04 -6.000000e+00 7.515233e-03 272.69 -2.00 20.00 -2.00 319.29 0.00e+00 3.331 0.001 302.00 328.00 3 3.4254e+00 1.7728e-02 4.6121e-02 -6.0000e+00 4.5484e-01 7.2445e-02 2.0665e-02 3.1623e-02 -6.0000e+00 4.9422e-01 -5.9288e-02 1.8490e-02 1.6280e-02 -6.0000e+00 2.8976e-01 1.7922e-02 9.9222e-03 4.9319e-03 -6.0000e+00 1.2130e-01 3.1024e-04 -2.5659e-04 3.6026e-04 5.7636e-05 -6.0000e+00 9.1575e-03 -1.9246e-02 5.4122e-05 12 9 9 12 1 1 999.00 22.31 0.39 -0.01925 -0.02117 1 11 1 5 0 888.093 25.28 20.00 22.31 14.84 28.8 1005.85 900000 -98498 20463 -94216 91398 -118134 -114332 68245 -59068 900000 -42365 196207 -2072 -15844 -27506 -4370 -3352 1292 94151 -24845 24784 -14896 65105 12576 17600 7429 -15437 22930 -2268 -751 -17808 44978 -5429 15753 -2208 -3553 -1479 -4967 1158 1984 7325 -4304 5893 -6970 3354 4147 13663 3099 1431 10449 3413 8719 -2724 2887 -425 5440 166 -969 607 -2911 3109 3927 3574 -3786 4254 -4153 -2308 -3727 1088 2420 1943 2194 -1155 -1578 250 -622 -2223 -3722 -3356 -3964 -2820 -2697 759 -1140 1353 -1358 -525 474 330 1495 -808 -1678 -2042 -2752 -1286 -1344 889 1812 -50 667 1442 -1622 1434 -171 69 -906 509 1530 1552 -319 939 3437 2140 -374 439 -1599 -637 -29 -970 -11 993 458 -363 -597 -209 -694 -1642 -1011 864 156 -14 -673 -666 -712 -2218 -26 -82 361 1789 457 502 204 -365 900000 -2886 242 -2835 1080 -4076 -3993 807 -1530 900000 -1068 2319 -48 -510 -1199 -181 -154 62 2099 -1712 1126 -980 2136 703 1001 486 -1264 1312 -162 -55 -1718 2839 -610 1563 -257 -415 -181 -719 188 373 1465 -1023 1342 -1829 818 1023 3157 799 386 2727 1015 2699 -1002 1080 -171 2160 70 -416 254 -1242 1288 1722 1716 -2088 2304 -2388 -1281 -2100 624 1506 1311 1543 -836 -1114 165 -384 -1301 -2167 -2052 -2702 -2128 -2231 656 -1048 1275 -1364 -544 500 351 1547 -817 -1624 -1903 -2563 -1244 -1414 1009 2219 -66 886 1859 -2015 1654 -196 81 -1123 647 2005 2132 -470 1449 5418 3426 -597 674 -2406 -942 -43 -1509 -18 1590 727 -567 -914 -311 -1012 -2352 -1443 1276 247 -23 -1175 -1196 -1315 -4279 -51 -164 732 3607 918 983 386 -679 SS 20220419T062900.9Z 8144.270150 252 1 47.85 2 71.33 96.25 98.57 243.85 0.00 1 0.00 1 0 25 5.040e-02 4.612e-03 8.760e-03 3.774e-04 5.129587e-01 2.001087e-04 6.570428e-03 -6.000000e+00 3.012348e-02 228.06 -2.00 3.88 -2.00 319.94 0.00e+00 8.804671e-04 5.624783e-05 3.274992e-04 -6.000000e+00 1.207595e-03 272.69 -2.00 20.00 -2.00 319.64 0.00e+00 3.085 0.001 302.00 328.00 3 1.8377e-01 5.5777e-04 4.2867e-02 -6.0000e+00 7.5415e-02 2.9334e-02 6.6300e-04 2.9606e-02 -6.0000e+00 8.1873e-02 -9.4032e-03 6.3094e-04 1.5485e-02 -6.0000e+00 4.8122e-02 -5.7376e-03 3.3627e-04 4.7876e-03 -6.0000e+00 2.0008e-02 1.0716e-02 -4.3339e-04 1.1653e-05 5.8129e-05 -6.0000e+00 1.5124e-03 -1.8915e-02 7.7259e-05 10 0 0 10 0 0 36.79 22.31 0.23 -0.01891 -0.02217 1772 348 1 5 0 25.244 25.39 20.00 22.31 16.00 28.8 1012.08 -27547 -361 -25247 -8948 -20194 -17945 -13225 -16710 -9214 -16252 -1697 -12989 -5968 -8321 -2316 -5407 -3255 -1586 -2056 -87 -2504 1026 -2770 -1343 -2807 -2290 -2680 -2397 -616 -2053 -109 -764 539 -2228 -749 -2064 -1727 -1544 -1977 -1668 -2369 -1452 -1794 -595 -910 -436 -783 -724 -374 163 675 578 1180 411 809 539 624 298 541 902 1056 1455 1362 885 357 965 615 826 925 452 127 -15 -15 -106 187 176 426 219 282 -156 -527 -887 -1487 -1069 -1087 -769 -477 -179 -4 165 638 719 1111 1087 1066 596 806 371 -275 -372 -246 -333 208 234 -826 -676 -692 -422 -111 -49 -159 -256 -109 3 339 603 668 320 51 -565 -659 -243 -332 -193 136 212 777 1108 629 391 243 88 161 233 -75 -212 58 34 -320 -224 -113 -155 48 -318 -4 -355 -115 -251 -232 -173 -235 -136 -280 -27 -252 -128 -225 -72 -187 -123 -65 -91 -4 -121 49 -142 -73 -167 -144 -172 -150 -37 -129 -7 -61 48 -218 -72 -199 -178 -185 -289 -268 -435 -286 -372 -125 -195 -94 -171 -160 -84 38 170 161 356 135 279 195 232 111 199 326 388 572 594 426 182 481 297 398 476 263 76 -10 -10 -66 116 99 219 109 148 -94 -342 -655 -1214 -928 -1004 -755 -493 -179 -4 172 625 654 944 911 949 597 859 447 -364 -505 -320 -399 228 252 -941 -818 -882 -567 -159 -72 -255 -433 -185 4 525 879 953 470 80 -925 -1102 -399 -529 -296 199 316 1106 1567 954 617 418 162 290 441 -150 -450 121 73 -685 -470 -239 -311 92 SS 20220419T063920.9Z 8144.277325 255 1 49.77 2 69.79 98.38 99.94 245.72 0.00 1 0.00 1 0 25 1.400e-01 9.687e-03 1.513e-01 7.118e-03 4.887459e-01 3.787544e-03 6.233933e-03 -6.000000e+00 8.368947e-02 228.06 -2.00 3.88 -2.00 320.09 0.00e+00 1.938485e-03 1.079148e-03 3.224636e-04 -6.000000e+00 3.355097e-03 272.70 -2.00 20.00 -2.00 319.79 0.00e+00 2.864 0.000 302.00 328.00 3 4.9902e+00 1.0651e-02 4.0342e-02 -6.0000e+00 2.0952e-01 5.2399e-02 1.2632e-02 2.8195e-02 -6.0000e+00 2.2746e-01 1.6073e-02 1.1787e-02 1.4727e-02 -6.0000e+00 1.3370e-01 -1.4800e-02 6.2591e-03 4.5597e-03 -6.0000e+00 5.5580e-02 1.0777e-04 9.7638e-05 2.2590e-04 5.7072e-05 -6.0000e+00 4.2019e-03 -1.6702e-02 1.4923e-04 12 8 8 10 0 0 99.99 22.31 0.19 -0.01670 -0.01597 95 19 1 5 0 523.807 25.39 20.00 22.31 17.31 28.9 1018.42 -20423 55849 25928 -46916 34393 5514 -51996 -33854 -15369 13161 31395 69591 1972 -36390 -18708 31769 -13341 9579 36584 -15368 22526 -16170 14177 22015 22849 -728 5126 -14787 33129 -552 11630 24430 -57 6805 -236 -3050 959 10203 6985 -2290 -1917 -1648 -2000 -1010 -783 3853 147 -1459 1040 4 -1405 1357 1618 2729 171 2473 226 -1266 -1508 678 -2447 2517 813 -461 1212 -1282 1739 -1969 -771 -366 1167 1783 128 484 -1278 -750 -1503 -1859 -3975 -89 -2388 -2299 -1119 150 -633 -1155 834 693 1358 194 -237 -994 -1875 -835 -393 -1478 952 1140 829 -286 371 88 141 -218 -2226 -515 -318 379 968 1710 1903 1935 1311 249 -175 -661 -957 -22 -691 -508 -438 -48 -543 -296 -124 -753 -143 -539 -426 -280 726 -683 -589 -774 -889 -266 518 429 496 439 403 -213 159 -321 540 337 -1072 395 78 -1210 -751 -324 236 510 901 50 -1472 -770 992 -656 420 1368 -918 1017 -1016 713 1098 1203 -49 332 -1116 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