File name: Pandora206s1_BuffaloNY_20221217_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T045435.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20221217_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20221217 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: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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 20221217T165836.0Z 8386.707361 339 1 7.46 2 66.44 176.81 78.39 255.28 0.00 1 0.00 1 0 17 3.336e-01 2.875e-02 2.060e-01 1.860e-02 3.480982e-01 9.134734e-03 4.126082e-03 -6.000000e+00 1.847517e-01 222.39 -2.00 3.55 -2.00 319.71 0.00e+00 4.981296e-03 2.482305e-03 1.138675e-03 -6.000000e+00 8.071775e-03 274.22 -2.00 20.00 -2.00 319.12 0.00e+00 2.483 0.000 302.00 328.00 3 2.5333e+00 2.5607e-02 3.1088e-02 -6.0000e+00 4.5542e-01 -1.1489e-01 3.0083e-02 2.2244e-02 -6.0000e+00 4.9897e-01 -2.5326e-02 2.3208e-02 8.9814e-03 -6.0000e+00 2.9465e-01 3.7568e-02 1.2121e-02 5.7151e-03 -6.0000e+00 1.2449e-01 2.5539e-03 6.2306e-04 5.4601e-04 4.2590e-05 -6.0000e+00 8.6442e-03 7.2950e-03 -9.6421e-05 12 8 8 10 0 0 11.11 17.78 1.76 0.00730 0.01198 3060 12241 3 8 0 2.400 15.02 17.78 6.44 21.38 21.17 13.5 922.12 -74635 172502 -67847 182840 -79729 900000 -7555 900000 -28108 145715 -33756 -36445 -23316 -20716 27942 -16224 74291 4759 94849 10752 118462 9513 47420 -25964 3372 -20739 411 5445 25236 31709 14964 51393 8107 30495 -19073 32396 -20140 4658 -21833 7115 633 10806 11855 6961 22007 -92 15390 -12893 11258 -11591 11305 -9465 8206 2187 8246 3057 448 3485 -3108 3104 -6050 5813 -3915 5990 -2121 7236 -1251 10915 3185 3370 -2935 1066 -2278 -4113 2176 -5966 4576 -2429 11687 -3034 6296 -4952 -561 -6109 -3429 -4340 -2071 1913 -990 4958 -496 7292 -3885 5373 -1697 1727 -2508 1376 -1768 -574 -1889 -33 2518 1350 2934 -2182 421 -2722 1149 -2076 840 -1488 2188 -1568 2264 -1064 1345 987 -1368 1520 -2430 2156 -2626 2159 -1481 3174 -46 3444 1268 739 413 -807 323 -1214 1156 -1499 2190 -549 1540 -1357 551 -2086 -605 -4833 3128 -4686 3315 -5025 900000 -253 900000 -1401 2642 -1805 -2077 -1409 -1467 1520 -1471 3031 394 3525 919 3843 813 3009 -3430 344 -2793 45 531 2036 2530 1512 4193 1085 3317 -3112 3348 -3756 792 -5578 1583 162 2618 2970 1859 5115 -27 3856 -4271 2932 -3907 3298 -3666 2834 853 3106 1235 189 1407 -1314 1241 -2797 2625 -2065 3093 -1170 3507 -632 4875 1693 1963 -1971 710 -1545 -2701 1286 -3422 2184 -1227 5663 -1970 4213 -3947 -454 -5485 -3241 -4427 -2166 1979 -1052 4713 -458 5985 -3323 4220 -1506 1669 -2855 1691 -2344 -726 -2253 -35 2594 1432 3337 -2731 541 -3820 1654 -3350 1399 -2556 3474 -2410 3084 -1433 1802 1402 -2142 2437 -4048 3353 -4176 3256 -2207 4319 -61 4672 1928 1215 722 -1407 570 -2286 2273 -3150 4519 -1193 3254 -2831 1132 -4216 -1186 SS 20221217T165843.7Z 8386.707450 339 2 7.42 2 66.44 176.84 78.41 255.30 0.00 1 0.00 1 0 25 1.563e-01 1.627e-02 2.075e-01 1.876e-02 3.547192e-01 9.197494e-03 4.158057e-03 -6.000000e+00 8.562513e-02 222.39 -2.00 3.55 -2.00 319.74 0.00e+00 -1.225547e-05 2.570358e-03 3.827739e-04 -6.000000e+00 3.798617e-03 274.22 -2.00 20.00 -2.00 319.16 0.00e+00 2.483 0.000 302.00 328.00 3 2.5600e+00 2.5927e-02 3.0134e-02 -6.0000e+00 2.1067e-01 -1.7204e-01 3.0631e-02 1.8159e-02 -6.0000e+00 2.3067e-01 7.5299e-02 2.4585e-02 9.1165e-03 -6.0000e+00 1.3710e-01 -2.0461e-02 1.2884e-02 2.7150e-03 -6.0000e+00 5.8317e-02 2.5306e-03 1.2885e-03 5.5080e-04 2.9204e-05 -6.0000e+00 4.0109e-03 8.7174e-03 -1.2096e-04 12 8 8 10 0 0 15.79 17.78 0.27 0.00872 0.01840 3060 12241 3 8 0 2.400 15.02 17.78 6.44 21.38 21.17 13.5 922.12 -64201 -46128 6710 22610 900000 58501 -537 -50650 -12493 -32653 -48705 -47685 -10546 -12013 38498 5649 66706 32683 5811 -2365 -6630 26662 -18119 2886 -22669 7218 346 11589 37392 28727 19256 21326 -521 -15461 -16743 -19597 -11007 959 11390 6358 13529 203 6428 1305 5897 -1648 -8396 -4627 -4534 -6934 10171 5965 3860 6744 1036 4160 -2889 -2649 -4846 516 -3321 2612 4299 3053 3872 2126 674 -252 3049 -3592 -674 -628 -427 -3251 2822 1464 7193 1994 3454 855 -2282 -3754 -3624 -1635 -3417 -252 -834 1792 501 2899 1416 1351 -108 546 -323 187 961 -229 639 -1400 -109 -1821 -272 -750 -898 -720 -1958 -975 716 1756 757 1706 488 -644 -1142 -728 -1219 -380 -864 -814 -393 524 283 860 459 314 456 421 449 277 233 -665 -407 -144 1662 349 1183 585 -322 -277 124 -1137 -1508 -2669 -1848 172 455 900000 1070 -14 -2338 -446 -1507 -2510 -2656 -505 -659 1576 343 2562 1793 420 -195 -579 1741 -1801 264 -2722 708 36 1012 2507 2202 1729 2074 -68 -2360 -2383 -2945 -1724 159 2083 1376 2959 53 1646 354 1537 -467 -2521 -1333 -1309 -2130 2883 1909 1350 2451 413 1655 -1264 -1143 -2090 211 -1485 1208 2076 1608 1983 1066 330 -125 1631 -2265 -447 -430 -287 -2136 1662 782 3360 971 1835 538 -1609 -2991 -3057 -1425 -3282 -250 -874 1878 529 2827 1288 1134 -90 456 -288 186 1071 -288 832 -1788 -128 -1981 -278 -822 -1073 -897 -2604 -1358 1045 2756 1274 2859 794 -987 -1620 -987 -1694 -554 -1361 -1346 -645 834 440 1264 646 441 614 594 667 444 395 -1173 -735 -273 3314 733 2516 1284 -706 -581 249 -2224 -2928 SS 20221217T165851.2Z 8386.707537 339 3 7.43 2 66.43 176.87 78.44 255.32 0.00 1 0.00 1 0 17 1.400e-01 1.322e-02 2.116e-01 1.761e-02 3.541380e-01 8.625672e-03 4.184696e-03 -6.000000e+00 7.651922e-02 222.39 -2.00 3.55 -2.00 319.70 0.00e+00 3.064227e-03 2.370635e-03 2.449066e-04 -6.000000e+00 3.338515e-03 274.22 -2.00 20.00 -2.00 319.13 0.00e+00 2.483 0.000 302.00 328.00 3 2.4592e+00 2.4224e-02 3.0256e-02 -6.0000e+00 1.8843e-01 -1.3441e-01 2.8450e-02 1.8773e-02 -6.0000e+00 2.0624e-01 3.0889e-02 2.2411e-02 9.3099e-03 -6.0000e+00 1.2274e-01 7.1441e-03 1.1814e-02 4.1676e-03 -6.0000e+00 5.2230e-02 2.7362e-03 1.4988e-04 5.1390e-04 3.7336e-05 -6.0000e+00 3.5681e-03 7.3716e-03 -4.1728e-05 12 8 8 10 0 0 82.63 17.78 1.51 0.00737 0.00850 3060 12241 3 8 0 2.400 15.02 17.78 6.44 21.38 21.17 13.5 922.12 -21647 -36190 -13993 -33867 -15334 995 64476 24709 26104 83604 2215 -57413 -44125 -15500 -10296 -18706 25923 14503 4736 1123 18076 9354 37241 695 -2535 2015 196 -16725 -15662 -3839 19132 23592 10827 873 -3715 2021 -5143 -9073 -581 -4462 6501 -758 4382 8565 8253 4577 -139 -463 1639 -4280 -1286 -3128 150 629 156 1342 2794 -532 2373 -1491 -1626 -265 2195 -2987 -2350 1920 480 3311 4233 2516 660 1523 -1307 -1082 270 -3452 -1687 155 4099 2188 1388 -1646 -1852 -911 -2845 -2485 -1936 -475 -128 1113 1858 500 2493 846 2113 418 71 525 -204 -11 -798 -1107 -209 1260 264 260 -1093 -1144 -991 -279 337 1030 569 -623 106 946 575 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