File name: Pandora272s1_Lauder_20260207_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260207T130455.6Z 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_20260207_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: 20260207 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 --------------------------------------------------------------------------------------- SS 20260206T191348.2Z 9533.801253 499 1 54.09 2 75.94 97.89 49.71 302.98 0.00 1 0.00 1 0 17 1.937e-01 1.638e-02 3.438e-02 2.501e-03 4.645432e-01 1.294612e-03 5.728644e-03 -6.000000e+00 1.131841e-01 231.18 -2.00 3.69 -2.00 319.48 0.00e+00 2.292183e-05 3.516045e-04 1.165866e-03 -6.000000e+00 4.855788e-03 279.43 -2.00 20.00 -2.00 318.86 0.00e+00 4.024 0.001 302.00 328.00 3 3.7506e+00 3.6588e-03 4.6421e-02 -6.0000e+00 2.8387e-01 1.8163e-02 4.2913e-03 2.6583e-02 -6.0000e+00 3.0682e-01 -5.6617e-02 3.3774e-03 1.2929e-02 -6.0000e+00 1.8188e-01 3.1230e-02 1.7577e-03 3.5915e-03 -6.0000e+00 7.7200e-02 1.6175e-04 1.6027e-04 7.1842e-05 4.1311e-05 -6.0000e+00 5.3304e-03 1.8407e-02 -3.4550e-05 12 9 8 11 32 0 38.47 25.36 0.43 0.01841 0.01961 29 3 2 8 0 1864.990 19.99 25.36 20.19 35.00 33.75 0.9 963.81 -32930 -87015 -2034 16688 15547 -41531 -41964 -109183 -51767 -95933 -68338 -47381 6309 3528 -20475 15768 -39236 8601 -25354 -423 -16240 22659 -24322 9417 2489 19296 -10087 6534 -2709 -5295 -17271 24346 -168 13556 702 21765 -782 -8803 6380 13142 -1864 16951 -2150 914 3341 10951 3901 3902 1098 5490 6352 4412 584 -326 1306 1750 1433 -1576 -2095 4814 7845 4233 988 2425 -1049 -1088 5588 -2944 3098 151 2372 1435 -791 1345 -461 -982 988 -1348 -2343 -1362 -2714 -553 -2814 -3839 -3210 -727 -664 -395 926 -910 1221 -1398 -537 -36 -1209 -1048 -886 1567 -486 1252 -268 -1342 -3257 -61 878 -744 -657 -27 -826 -9 851 1201 -104 961 1028 -98 -663 928 -502 1285 -258 -104 1050 766 850 935 -639 669 53 1068 359 -117 88 -422 -351 -245 -470 852 -64 0 -305 -666 -878 -707 -3629 -38 248 212 -993 -1095 -6311 -1907 -5943 -3300 -2011 186 129 -1139 704 -3311 485 -2140 -29 -1347 1277 -2296 689 209 1445 -1033 542 -234 -484 -2001 2102 -21 1561 88 2176 -108 -1544 1169 2699 -454 4002 -584 246 881 2705 1037 1042 306 1520 1894 1475 219 -133 555 767 649 -739 -966 2044 3315 2002 536 1310 -609 -605 3047 -1606 1695 97 1663 1072 -608 972 -315 -609 549 -742 -1382 -914 -2127 -443 -2529 -3684 -3043 -724 -696 -428 1003 -979 1197 -1402 -501 -32 -1186 -1073 -1030 1883 -652 1662 -343 -1608 -3908 -70 1077 -922 -854 -37 -1144 -14 1372 1912 -167 1558 1561 -141 -946 1349 -786 2101 -412 -173 1684 1190 1255 1411 -939 965 78 1707 589 -204 159 -755 -667 -493 -930 1696 -130 -1 -612 -1284 -1631 SS 20260206T192242.1Z 9533.807431 504 1 6.36 2 74.38 96.36 50.99 300.74 0.00 1 0.00 1 0 17 1.724e-01 2.080e-02 1.102e-01 1.070e-02 4.277290e-01 5.549853e-03 5.270051e-03 -6.000000e+00 1.008693e-01 231.18 -2.00 3.69 -2.00 319.12 0.00e+00 -4.475157e-04 1.316117e-03 8.917328e-04 -6.000000e+00 4.397614e-03 279.43 -2.00 20.00 -2.00 318.49 0.00e+00 3.647 0.001 302.00 328.00 3 4.2067e+00 1.5341e-02 4.2157e-02 -6.0000e+00 2.5283e-01 4.2206e-02 1.7655e-02 2.4088e-02 -6.0000e+00 2.7330e-01 -9.9234e-02 1.2875e-02 1.1650e-02 -6.0000e+00 1.6190e-01 5.6380e-02 6.7323e-03 3.2556e-03 -6.0000e+00 6.8754e-02 1.5040e-04 3.7489e-04 3.0983e-04 3.4842e-05 -6.0000e+00 4.7903e-03 1.7715e-02 -6.0776e-05 12 9 9 12 1 1 999.00 25.36 0.02 0.01771 0.02053 1 2 1 8 0 3176.590 20.00 25.36 20.60 35.25 34.00 0.9 966.04 79822 -39229 2975 7774 900000 -48785 -10665 -87263 -28846 -83455 -28468 -32984 -15595 10726 -15460 17121 -23106 24700 -24868 5264 -5159 33225 -13178 -13772 -7573 10882 -19510 43847 28886 -7674 -4625 11718 2778 8083 -14656 53009 767 -11906 9500 21748 -3699 7591 -895 3586 7755 5630 -212 2001 -6361 7109 4394 8362 5227 2441 3973 -1505 1607 -1373 -2403 7560 7417 5230 3672 1277 -1789 -1330 6086 -5648 1695 2011 644 -32 -2018 2180 1725 -450 3150 -3077 -4750 -555 -4333 -3726 -535 -2705 -2881 -996 -1438 795 2322 -1369 158 -1376 -1682 -1511 -1115 343 -571 1510 -881 893 1509 -2279 -4645 1393 728 -44 -2106 30 -1174 532 819 -788 110 686 1502 640 589 314 -359 2165 -189 -117 1568 -750 1680 1825 -65 1828 749 62 476 -783 1564 -857 111 -300 -517 -286 -114 -264 -83 -158 -1503 999 -1801 93 219 900000 -2138 -345 -6828 -1414 -6886 -1515 -1961 -911 571 -1258 1143 -2483 1752 -3061 500 -554 2426 -1595 -1810 -995 1249 -3073 3476 2501 -977 -632 1516 438 1273 -2752 4977 134 -2495 1946 4703 -1151 2232 -298 1160 2405 1794 -71 657 -2286 2299 1575 3148 2181 1125 1899 -718 764 -675 -1166 3571 3595 2555 2011 785 -1168 -822 3333 -3466 1026 1379 460 -24 -1569 1564 1252 -301 1851 -1854 -3068 -393 -3369 -3248 -493 -2498 -2851 -1041 -1592 892 2597 -1545 163 -1335 -1648 -1441 -1124 355 -673 1842 -1200 1200 1915 -2780 -5718 1602 849 -55 -2821 42 -1650 795 1246 -1276 175 1103 2235 901 815 451 -550 3451 -298 -193 2475 -1170 2428 2691 -93 2557 1067 97 754 -1327 2680 -1560 200 -578 -1028 -580 -223 -530 -159 -290 -2686 SS 20260206T192743.7Z 9533.810922 507 1 17.31 2 73.50 95.50 51.73 299.51 0.00 1 0.00 1 0 25 4.231e-02 7.447e-03 5.849e-03 1.083e-03 4.139392e-01 5.586421e-04 5.131369e-03 -6.000000e+00 2.472113e-02 231.18 -2.00 3.69 -2.00 318.10 0.00e+00 9.183080e-04 9.897705e-05 3.813554e-04 -6.000000e+00 1.060227e-03 279.43 -2.00 20.00 -2.00 317.44 0.00e+00 3.464 0.000 302.00 328.00 3 1.7898e+00 1.5037e-03 4.0156e-02 -6.0000e+00 6.2002e-02 2.5443e-02 1.6910e-03 2.2744e-02 -6.0000e+00 6.7010e-02 -2.6375e-02 1.1036e-03 1.1111e-02 -6.0000e+00 3.9723e-02 1.0058e-02 5.7270e-04 3.1627e-03 -6.0000e+00 1.6865e-02 1.9994e-03 -2.2406e-04 3.0464e-05 3.3436e-05 -6.0000e+00 1.1638e-03 1.7644e-02 1.7535e-05 12 9 1 12 1 1 62.04 25.36 0.32 0.01764 0.01596 71 23 1 8 0 240.270 20.00 25.36 20.91 35.25 33.75 1.0 968.24 -15870 -10239 -10390 -9125 -1396 -18929 -15688 -18432 -9146 -16525 -15026 -12193 -6848 -2193 -2709 -1466 -3019 725 -410 1668 396 523 -658 897 -869 1370 -795 -681 -1977 -2296 -1380 2395 1038 972 -4281 -494 -3631 -2029 -122 1233 -320 674 2 993 327 1474 1059 467 -1437 798 1343 1475 1082 1660 1360 1026 1165 367 -97 688 1203 1267 1802 2217 1134 187 115 -1270 178 636 851 638 183 489 17 -311 -1030 -1678 -1400 -1174 -1260 -1071 -2040 -2525 -1421 -565 -171 95 535 463 271 167 -530 -545 -269 -112 180 972 491 150 -157 -991 -1754 -664 -571 -895 -606 -369 -244 375 605 523 404 413 88 16 -14 169 336 494 220 468 586 561 647 688 99 319 437 103 241 -34 -271 -225 -69 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