File name: Pandora75s1_EssexMD_20250122_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250123T052552.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250122_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250122 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 session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20250122T142415.3Z 9153.600177 299 1 51.98 2 71.42 136.97 71.86 224.66 0.00 1 0.00 1 0 25 3.620e-01 1.608e-02 1.470e-01 3.940e-03 4.949251e-01 2.057830e-03 5.999407e-03 -6.000000e+00 2.133616e-01 224.15 -2.00 3.48 -2.00 319.85 0.00e+00 4.657892e-03 6.469861e-04 2.537651e-03 -6.000000e+00 9.493924e-03 276.63 -2.00 20.00 -2.00 319.29 0.00e+00 3.099 0.000 302.00 328.00 3 5.0817e+00 5.9075e-03 4.0399e-02 -6.0000e+00 5.2605e-01 2.9947e-02 7.0296e-03 2.6380e-02 -6.0000e+00 5.7320e-01 -5.9297e-02 5.8494e-03 1.5383e-02 -6.0000e+00 3.4165e-01 2.3236e-02 3.0187e-03 6.2465e-03 -6.0000e+00 1.4257e-01 8.1275e-05 4.4788e-04 1.2348e-04 9.6499e-05 -6.0000e+00 1.1203e-02 1.4581e-02 3.5593e-05 12 9 8 11 8 0 98.86 22.61 0.56 0.01458 0.01795 14 2 1 5 0 3712.240 25.58 20.01 22.61 -3.80 5.8 800.66 -181312 -58164 900000 244236 -73190 -74785 153833 -25152 -61821 -6869 -52952 8343 108078 134750 33199 -43908 -14676 -13294 5179 10578 -1519 35500 -23408 15889 -20791 -3409 -3471 -12395 -6370 25943 9432 438 17832 735 28749 1974 934 542 4559 12388 -2002 15079 9062 3013 -2614 6104 6444 1631 2855 5097 3538 -2675 3808 4999 2315 2055 -202 -3174 -2510 -1833 2015 6965 3517 4108 3186 -1957 -103 -1239 2661 2718 -155 2617 -1264 -1119 -1129 -529 -3400 -227 -1431 -4696 -1201 -2606 -1521 -1292 -2263 119 356 446 -318 3111 -466 -971 -1392 -2039 -1767 275 607 -460 1718 -4 -1482 -2060 -1093 -1648 -2106 -1773 -616 1065 387 709 2024 727 655 -382 -817 1578 122 100 15 765 880 929 1239 361 171 -493 -70 -414 548 260 92 -666 -332 99 -444 -126 169 187 -760 455 -38 -256 -402 -11081 -1198 900000 938 -1713 -1724 591 -444 -1734 -119 -1526 144 830 984 816 -2733 -761 -741 257 520 -86 1405 -1718 830 -1653 -237 -244 -933 -448 1395 678 40 1514 78 2264 204 106 72 695 2042 -424 2885 1929 700 -654 1423 1518 410 728 1337 1022 -899 1297 1800 815 747 -76 -1229 -950 -689 760 2729 1583 1997 1605 -1010 -51 -632 1415 1619 -103 1765 -877 -736 -684 -289 -1789 -116 -811 -3164 -894 -2018 -1262 -1137 -2144 117 366 468 -335 3038 -440 -858 -1184 -1779 -1680 291 726 -571 2209 -5 -1824 -2343 -1261 -1946 -2449 -2173 -789 1430 566 1045 3159 1182 1046 -587 -1277 2318 183 157 23 1208 1387 1428 1978 557 253 -705 -98 -608 870 420 161 -1223 -635 186 -882 -260 357 398 -1620 922 -74 -477 -741 SS 20250122T143457.8Z 9153.607614 302 1 52.48 2 70.03 139.21 73.33 226.75 0.00 1 0.00 1 0 17 1.786e-01 1.161e-02 5.217e-02 2.802e-03 4.761128e-01 1.452906e-03 5.557304e-03 -6.000000e+00 1.052520e-01 224.15 -2.00 3.48 -2.00 319.43 0.00e+00 1.961057e-03 3.949529e-04 1.409241e-03 -6.000000e+00 4.621798e-03 276.63 -2.00 20.00 -2.00 318.84 0.00e+00 2.897 0.000 302.00 328.00 3 4.7816e+00 4.0395e-03 3.7702e-02 -6.0000e+00 2.5951e-01 2.2453e-02 4.7415e-03 2.4418e-02 -6.0000e+00 2.8278e-01 -3.6317e-02 3.7513e-03 1.2771e-02 -6.0000e+00 1.6846e-01 8.5810e-03 1.9525e-03 4.0980e-03 -6.0000e+00 7.0035e-02 1.3677e-04 -2.9261e-04 8.7156e-05 5.3356e-05 -6.0000e+00 5.5217e-03 1.4688e-02 2.6617e-07 12 9 8 11 32 0 36.60 22.61 0.81 0.01469 0.01249 18 3 1 5 0 2915.090 25.58 20.00 22.61 -2.83 5.8 808.50 -130667 -45490 79232 47676 -50166 -53858 18713 -1363 -49002 -29325 -16500 -34270 34439 34537 8785 -23416 -10516 -12419 7064 -6266 5772 11145 -14082 -6088 -15912 -13234 -13450 -11990 -10073 -2945 7102 2345 7123 -8481 5110 1957 -4583 -3665 5416 4377 -1626 4108 4422 1999 5893 4929 1604 1426 854 4813 1100 253 2448 4641 1105 2364 -114 -1841 -775 -1915 2484 4043 2419 1635 914 -800 -226 -575 2321 2179 -728 2678 -441 54 -980 -1325 -1297 -2889 -1324 -3935 -1001 -2702 -2280 -1498 -1453 36 10 1435 84 1027 342 -60 -550 -960 -1294 -230 531 110 1044 -635 -982 -1926 -645 -1141 -1162 -289 -308 235 716 1248 1135 704 496 13 -686 810 -64 258 417 317 749 512 806 335 236 -954 -209 -637 454 -213 -580 -322 -528 -284 36 164 291 530 -139 439 -101 -450 -590 -6296 -1181 628 508 -1330 -1442 256 -25 -1633 -865 -451 -1227 734 896 355 -1516 -664 -865 432 -459 385 713 -1200 -511 -1569 -1331 -1371 -1173 -947 -268 652 257 829 -1214 628 249 -679 -628 1017 975 -430 1097 1229 529 1670 1426 483 435 268 1521 355 90 920 1826 473 1032 -52 -852 -349 -869 1117 1943 1305 963 556 -481 -131 -341 1443 1394 -522 1936 -326 38 -640 -858 -783 -1765 -865 -2766 -781 -2396 -2013 -1394 -1443 37 10 1580 94 1084 339 -55 -488 -868 -1276 -253 610 141 1403 -858 -1251 -2280 -768 -1288 -1394 -363 -409 330 1008 1900 1850 1111 770 20 -1025 1146 -92 385 655 518 1218 815 1239 497 334 -1407 -300 -889 683 -351 -966 -561 -959 -509 69 324 587 1082 -283 856 -189 -862 -1118 SS 20250122T144607.7Z 9153.615367 305 1 52.36 2 68.66 141.60 74.92 228.87 0.00 1 0.00 1 0 17 1.251e-01 9.902e-03 3.295e-02 2.463e-03 4.478053e-01 1.272131e-03 5.235434e-03 -6.000000e+00 7.373018e-02 224.15 -2.00 3.48 -2.00 319.18 0.00e+00 1.793300e-03 3.232732e-04 1.187577e-03 -6.000000e+00 3.237754e-03 276.63 -2.00 20.00 -2.00 318.58 0.00e+00 2.722 0.000 302.00 328.00 3 4.7761e+00 3.5148e-03 3.5382e-02 -6.0000e+00 1.8179e-01 -2.2656e-03 4.0834e-03 2.2765e-02 -6.0000e+00 1.9810e-01 -9.7388e-03 3.0950e-03 1.1785e-02 -6.0000e+00 1.1801e-01 -2.0452e-03 1.6177e-03 3.7403e-03 -6.0000e+00 4.9058e-02 1.6948e-04 -1.6489e-05 7.7030e-05 5.0403e-05 -6.0000e+00 3.8682e-03 1.5000e-02 8.1759e-07 12 8 8 10 0 0 51.53 22.62 0.61 0.01500 0.01488 20 3 1 5 0 2617.490 25.58 19.99 22.62 -1.64 5.8 817.22 -103509 -31992 47347 2895 -32680 -29047 20636 6257 -49440 -112 -25123 -2556 -3308 24980 -1637 -14772 -11376 -5892 -1396 -6300 3151 6453 -4437 -3901 -9549 -6320 -6367 -9176 -4985 11950 -3353 -939 920 -3675 941 -248 -3250 -5089 968 3907 -455 3788 3744 -672 -503 3878 2267 -1557 713 2506 531 14 1570 4143 1057 2695 -835 -799 -1246 186 1501 3307 3190 2003 1875 -816 242 -605 2397 1343 -115 1925 -141 -214 -1146 -644 -2117 -1248 -1496 -3122 -1343 -2168 -2020 -1322 -1161 -112 723 450 450 1336 -75 -458 -656 -1047 -860 -240 369 635 703 -200 -1027 -1345 -920 -873 -906 -1330 -645 462 424 942 1274 717 410 -362 -559 842 -108 454 282 435 371 590 431 440 316 30 111 -440 451 -7 -136 -949 -303 -343 64 -51 264 607 -246 306 -143 -417 -503 -4814 -914 648 60 -910 -760 347 135 -2078 -3 -935 -83 -127 876 -90 -1064 -874 -463 -112 -554 259 519 -412 -384 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