File name: Pandora55s1_QueensNY_20241013_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241014T045518.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241013_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20241013 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20241013T124702.9Z 9052.532672 130 1 50.39 2 72.59 117.67 154.75 340.47 0.00 1 0.00 1 0 25 5.490e-02 6.556e-03 1.103e-02 9.349e-04 4.545850e-01 4.852703e-04 5.412767e-03 -6.000000e+00 3.240455e-02 226.09 -2.00 3.51 -2.00 319.10 0.00e+00 4.633919e-04 1.222527e-04 4.020035e-04 -6.000000e+00 1.452167e-03 284.46 -2.00 20.00 -2.00 318.37 0.00e+00 3.294 0.001 302.00 328.00 3 1.9537e+00 1.3470e-03 4.0392e-02 -6.0000e+00 8.0074e-02 -1.5189e-02 1.5669e-03 2.3699e-02 -6.0000e+00 8.6790e-02 -7.9035e-03 1.1628e-03 1.1661e-02 -6.0000e+00 5.1882e-02 -2.9718e-03 6.1039e-04 3.3415e-03 -6.0000e+00 2.1955e-02 1.6643e-03 -1.0359e-03 2.8307e-05 4.0948e-05 -6.0000e+00 1.6372e-03 -6.0975e-03 0.0000e+00 11 8 0 10 0 0 93.26 23.35 0.22 -0.00610 -0.01388 191 36 1 5 0 263.760 27.15 20.00 23.35 21.16 37.5 1021.54 -31724 -19250 8328 -27813 -9207 -8921 -16417 7853 -2722 -12279 -18577 -16121 -10229 -6254 6263 -4178 -6285 -13535 5715 4482 -3401 1370 126 -3727 -1295 -1238 3927 -2932 -4231 -3568 274 1538 1129 -2344 -19 2121 -1185 -1315 847 787 -1714 -756 -2031 -1451 -1097 1488 -1443 818 146 1442 747 1034 225 2060 1233 511 1114 71 761 257 937 1895 1581 291 -78 -30 1081 470 1304 1112 -1 -67 -520 -457 -421 -157 181 921 1127 22 -201 -362 -1494 -1256 -1189 -1071 -1039 -528 -401 -416 -142 448 613 1611 1653 1358 565 849 -286 -458 -517 -585 -156 723 14 -1019 -555 -982 -176 112 -94 -532 -180 -79 -32 606 1000 861 562 -252 -859 -528 -160 -207 -82 177 244 1409 1016 339 590 188 411 195 327 -282 -195 150 -378 -602 -286 -240 -176 305 -808 -506 184 -862 -229 -211 -427 181 -78 -421 -712 -638 -433 -302 322 -274 -465 -1156 438 366 -310 122 12 -374 -137 -139 433 -342 -484 -404 32 196 162 -375 -3 326 -192 -237 176 192 -483 -230 -652 -479 -365 491 -490 275 50 496 271 398 94 902 573 248 554 36 384 128 467 971 868 174 -49 -19 669 285 798 731 -1 -51 -411 -359 -320 -112 121 580 710 15 -150 -296 -1332 -1178 -1163 -1093 -1106 -579 -447 -463 -155 466 605 1527 1574 1365 616 1002 -365 -609 -688 -752 -190 844 17 -1260 -711 -1303 -241 159 -141 -839 -289 -126 -50 905 1446 1244 831 -387 -1364 -845 -254 -322 -124 263 354 1979 1442 505 929 311 697 339 585 -523 -372 293 -745 -1196 -560 -460 -328 557 SS 20241013T125252.9Z 9052.536724 133 1 32.64 2 71.62 118.80 155.05 343.52 0.00 1 0.00 1 0 17 4.663e-01 2.957e-02 1.418e-01 5.613e-03 4.082271e-01 2.948970e-03 4.791926e-03 -6.000000e+00 2.788071e-01 226.09 -2.00 3.51 -2.00 319.30 0.00e+00 8.316787e-03 7.875804e-04 1.817547e-04 -6.000000e+00 1.279404e-02 284.46 -2.00 20.00 -2.00 318.60 0.00e+00 3.130 0.001 302.00 328.00 3 4.8363e+00 8.2608e-03 3.7826e-02 -6.0000e+00 6.8879e-01 7.2496e-02 9.6007e-03 2.3027e-02 -6.0000e+00 7.4747e-01 -1.2172e-01 6.9201e-03 1.2090e-02 -6.0000e+00 4.4367e-01 6.5083e-02 3.6159e-03 8.7696e-03 -6.0000e+00 1.8896e-01 1.1051e-04 -1.8071e-04 1.7540e-04 8.5289e-05 -6.0000e+00 1.4251e-02 -1.3541e-02 0.0000e+00 12 9 9 12 33 1 99.99 23.35 0.41 -0.01354 -0.01490 11 4 1 5 0 2718.520 27.15 20.01 23.35 21.45 37.4 1022.87 900000 -33464 900000 -33418 204702 900000 101287 900000 122575 1135 -45161 22108 -43760 19310 202600 36716 -15517 -95324 270101 98326 26976 13030 44739 -11872 8186 3970 260055 -1238 263 -6695 6062 37405 13606 23521 10781 65692 4917 -8072 12402 23517 -1940 13410 -6848 1254 2997 21235 -1863 16859 10727 15988 6548 4743 -2827 16594 1255 3428 11932 1143 5192 -118 -4770 -958 -425 -4588 6595 -4111 8049 -2737 2399 1500 526 542 3334 -4520 5096 -4630 2403 5162 -962 -1490 -3811 6180 -1705 -1554 -3665 -1235 -5422 -1764 -4545 -395 -1143 -1785 180 648 -575 -6 -2669 -1038 293 -129 442 -816 -94 2980 1386 186 39 -1172 -100 -111 1662 -1597 717 -211 -1429 -281 538 -446 1018 299 -1890 699 2184 2950 39 1362 -497 1610 340 -145 1519 1803 1274 869 1175 -250 58 -378 -55 -912 -892 -1482 -438 -1103 900000 -1585 900000 -1704 1120 900000 1265 900000 1420 42 -2647 722 -2968 879 2025 1997 -1522 -21035 2133 4025 2196 1213 3078 -1401 828 428 2646 -141 29 -786 674 3490 1780 3017 1572 5593 743 -1510 2225 4414 -514 3345 -2154 381 912 5603 -611 4710 3184 4605 2136 1674 -1144 6007 544 1498 4947 522 2277 -54 -2282 -463 -221 -2691 3743 -2580 4393 -1577 1335 906 351 387 2394 -3437 3439 -3182 1434 2829 -555 -922 -2695 4471 -1431 -1385 -3479 -1207 -5765 -1900 -5115 -430 -1219 -1825 169 582 -520 -6 -2850 -1202 364 -169 579 -1035 -111 3299 1568 222 48 -1540 -137 -159 2486 -2562 1159 -341 -2241 -418 767 -637 1479 455 -3038 1119 3422 4507 59 1990 -713 2212 475 -213 2350 2931 2147 1501 2091 -466 111 -744 -109 -1835 -1773 -2877 -818 -2029 SS 20241013T125655.5Z 9052.539531 136 1 1.83 2 70.95 119.58 155.23 345.68 0.00 1 0.00 1 0 25 6.837e-02 8.590e-03 4.296e-02 5.205e-03 4.179936e-01 2.694423e-03 4.995324e-03 -6.000000e+00 4.037271e-02 226.09 -2.00 3.51 -2.00 318.61 0.00e+00 9.427591e-04 5.805487e-04 2.640351e-04 -6.000000e+00 1.808735e-03 284.46 -2.00 20.00 -2.00 317.87 0.00e+00 3.027 0.000 302.00 328.00 3 2.1958e+00 7.3328e-03 3.7087e-02 -6.0000e+00 9.9765e-02 -1.7275e-03 8.3922e-03 2.1697e-02 -6.0000e+00 1.0811e-01 -1.4740e-02 5.7593e-03 1.0644e-02 -6.0000e+00 6.4628e-02 -6.0501e-04 3.0138e-03 3.1900e-03 -6.0000e+00 2.7368e-02 1.7513e-03 -4.4405e-04 1.5797e-04 3.8077e-05 -6.0000e+00 2.0389e-03 -9.9776e-03 0.0000e+00 12 9 1 12 1 1 -1231.05 23.35 0.28 -0.00998 -0.01331 4 26 1 5 0 364.920 27.15 19.99 23.35 21.56 37.4 1023.08 -3899 -22998 34878 -41915 8775 -29612 -13660 4594 -7234 -67 -15800 16386 -14082 19228 5819 5506 -6680 -6968 665 -582 -8272 -4609 4497 -3403 8055 -2431 5187 -5119 -966 -5024 -2818 -135 3009 -1092 -1811 2882 -3275 640 -387 2986 -3115 -1334 -515 276 -487 1391 -2604 1378 451 1384 1986 706 1105 144 1466 1110 1080 -249 -50 1600 235 2942 1804 348 990 410 1072 1493 1899 984 31 -811 33 -2695 -93 -72 -464 490 258 -453 -1 -623 -2189 -880 -1781 -734 -1066 -869 154 -411 -855 393 -519 1240 1970 1874 627 80 -101 -209 43 -741 -107 1079 346 -720 -514 -685 -32 147 -460 -427 -425 -93 115 715 1098 1012 627 -431 -682 -936 -283 -423 48 318 632 1579 1761 511 313 -89 140 -386 732 -57 -145 187 -670 -495 -160 -294 69 -129 -123 -1003 954 -2341 293 -1321 -538 170 -335 -3 -895 722 -912 1081 440 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