File name: Pandora206s1_BuffaloNY_20231107_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T065326.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun 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_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20231107_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: 20231107 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 20231107T154241.2Z 8711.654644 293 1 5.47 2 61.86 159.20 47.96 240.21 0.00 1 0.00 1 0 17 9.723e-02 1.448e-02 1.459e-01 2.196e-02 2.894162e-01 1.072109e-02 3.596234e-03 -6.000000e+00 5.359741e-02 223.43 -2.00 3.55 -2.00 319.10 0.00e+00 -1.192935e-04 2.467914e-03 5.339812e-04 -6.000000e+00 2.365538e-03 278.75 -2.00 20.00 -2.00 318.43 0.00e+00 2.110 0.000 302.00 328.00 3 2.9438e+00 2.9571e-02 2.5548e-02 -6.0000e+00 1.3211e-01 -1.5287e-01 3.4030e-02 1.5354e-02 -6.0000e+00 1.4415e-01 4.6308e-02 2.3514e-02 7.5352e-03 -6.0000e+00 8.5942e-02 -3.0330e-03 1.2337e-02 2.1713e-03 -6.0000e+00 3.6810e-02 2.6558e-03 2.9687e-04 6.3948e-04 2.4684e-05 -6.0000e+00 2.4749e-03 -1.9883e-02 1.4699e-04 12 8 8 10 0 0 38.70 18.14 0.67 -0.01988 -0.01765 2252 11259 3 8 0 2.400 15.00 18.14 17.92 21.58 21.58 19.3 961.43 -27144 -5538 -28134 -12140 -9766 10087 -14861 -42616 -27339 36772 51057 -20130 6145 15173 17775 -17828 8044 -14332 3139 -11689 7599 10592 -3710 -7125 16201 17401 5138 3619 13349 7855 10522 3845 -2022 -15858 2606 19328 -7663 -3967 -6149 3405 2874 -8090 2716 -1133 7024 -3932 9160 -654 5275 -5912 4125 472 2590 2406 1118 1533 1069 -855 -1212 -1080 5168 3766 2101 4179 677 2995 -1980 -1683 660 -2425 -2011 2301 606 -947 -177 -1709 766 -2441 2336 -2847 1916 -811 15 -2585 -3306 -2278 634 514 -2081 -401 -370 779 -983 1273 1055 -79 606 1611 229 113 281 -1470 -2229 -268 429 -1840 -236 -923 815 705 -107 2057 867 355 -280 252 -371 832 -957 -50 -610 580 -480 1764 -507 536 -220 -693 1377 252 848 -532 678 -188 28 -151 -466 -450 -36 -979 1045 -446 210 -1605 -294 -1951 -681 -468 400 -773 -3303 -2063 1654 1968 -1540 414 1083 1432 -2204 807 -1883 364 -1639 902 1206 -502 -1075 2050 2287 775 521 1688 1041 1470 595 -366 -3473 439 2799 -1537 -892 -1643 986 923 -3036 951 -418 2381 -1498 3019 -233 1754 -2213 1494 192 1095 1087 532 742 535 -436 -606 -535 2483 1985 1235 2603 421 1746 -1136 -942 384 -1675 -1462 1678 450 -718 -124 -1089 432 -1352 1301 -1908 1385 -671 13 -2339 -3248 -2386 680 572 -2394 -437 -387 739 -872 1071 952 -81 684 1933 298 144 350 -1710 -2441 -299 523 -2414 -319 -1270 1161 1080 -176 3366 1384 555 -404 339 -503 1169 -1475 -82 -1020 942 -771 2652 -738 740 -290 -927 1955 389 1376 -903 1158 -337 54 -305 -963 -953 -77 -2032 2046 -853 390 SS 20231107T154246.8Z 8711.654709 293 2 5.45 2 61.85 159.23 47.98 240.23 0.00 1 0.00 1 0 25 7.334e-02 1.270e-02 1.376e-01 1.948e-02 2.835836e-01 9.511702e-03 3.425174e-03 -6.000000e+00 4.043097e-02 223.43 -2.00 3.55 -2.00 319.11 0.00e+00 -2.256759e-06 2.181815e-03 1.882887e-04 -6.000000e+00 1.784320e-03 278.75 -2.00 20.00 -2.00 318.43 0.00e+00 2.109 0.000 302.00 328.00 3 2.8248e+00 2.6213e-02 2.5185e-02 -6.0000e+00 9.9655e-02 -1.7251e-01 3.0236e-02 1.4607e-02 -6.0000e+00 1.0874e-01 8.1807e-02 2.1362e-02 7.2961e-03 -6.0000e+00 6.4829e-02 -2.0669e-02 1.1227e-02 2.1058e-03 -6.0000e+00 2.7769e-02 3.0174e-03 1.9148e-04 5.6910e-04 2.3249e-05 -6.0000e+00 1.8668e-03 -2.0496e-02 1.4237e-04 12 8 8 10 0 0 23.68 18.14 0.35 -0.02050 -0.01906 2252 11259 3 8 0 2.400 15.00 18.14 17.92 21.58 21.58 19.3 961.43 37675 -2347 -3073 -11267 -8061 -7985 -19248 -32233 4264 10371 -2832 -20205 -14589 3886 17643 -4213 17413 -13791 -4000 -9995 -11868 14955 10454 12396 2460 14243 -8745 24224 2362 14985 5286 15386 -2732 -4002 3221 -1277 10994 1415 4421 -5036 -2125 -2941 -2230 2570 2655 -4264 3363 1461 -73 -3824 -2554 2268 -94 -1500 1491 -237 -1196 1962 -770 -3355 6791 1016 2428 4136 -1412 -917 -2144 -3845 2984 -2353 -772 1785 2317 -3671 1919 548 602 1018 -2834 -1248 1242 1059 -1108 -2020 -2010 42 -1198 749 -280 1291 500 1228 -179 1367 996 1322 752 -334 365 -312 327 -177 -1197 -1037 -617 -1554 -1659 575 -772 1043 1030 1533 1501 -259 -1584 -1008 -1677 597 -151 665 984 -414 -736 576 191 -1048 -2 86 -43 -682 818 -42 853 -1353 -177 281 268 535 477 -160 -294 -400 -133 1125 -111 -154 -584 -372 -354 -981 -2115 231 572 -169 -1465 -1146 295 1356 -435 1594 -1731 -479 -1329 -1656 1653 1191 1495 347 1882 -1481 2907 312 1811 729 2179 -490 -767 532 -214 1807 298 1053 -1574 -713 -1043 -817 911 939 -1630 1176 511 -26 -1404 -990 908 -41 -706 709 -117 -615 977 -386 -1713 3236 555 1376 2495 -906 -561 -1242 -2216 1708 -1570 -560 1321 1709 -2773 1330 345 344 550 -1676 -829 911 867 -955 -1834 -1967 43 -1322 839 -320 1398 503 1171 -159 1157 904 1332 817 -411 475 -402 393 -205 -1305 -1170 -763 -1963 -2197 785 -1125 1601 1683 2534 2393 -392 -2321 -1378 -2309 841 -230 1080 1621 -680 -1190 879 278 -1474 -3 114 -62 -1061 1327 -71 1454 -2449 -339 563 550 1123 1010 -331 -585 -769 -248 SS 20231107T154252.3Z 8711.654772 293 3 5.45 2 61.84 159.25 47.99 240.26 0.00 1 0.00 1 0 17 2.494e-01 3.379e-02 3.424e-01 5.339e-02 2.894693e-01 2.597091e-02 3.591517e-03 -6.000000e+00 1.375424e-01 223.43 -2.00 3.55 -2.00 319.11 0.00e+00 4.319587e-04 6.014929e-03 1.144439e-03 -6.000000e+00 6.067926e-03 278.75 -2.00 20.00 -2.00 318.43 0.00e+00 2.109 0.000 302.00 328.00 3 3.9159e+00 7.1675e-02 2.5637e-02 -6.0000e+00 3.3902e-01 -1.7111e-01 8.2617e-02 1.5757e-02 -6.0000e+00 3.6987e-01 6.6795e-02 5.6734e-02 7.7152e-03 -6.0000e+00 2.2052e-01 -2.1209e-02 2.9593e-02 2.1702e-03 -6.0000e+00 9.4498e-02 1.0098e-03 1.3434e-03 1.5536e-03 2.4011e-05 -6.0000e+00 6.3483e-03 -2.2891e-02 1.5147e-04 12 8 8 10 0 0 3.91 18.14 0.05 -0.02289 -0.01280 2252 11259 3 8 0 2.400 15.00 18.14 17.92 21.58 21.58 19.3 961.43 45769 16104 -17759 -47150 134406 39324 167109 -50961 30898 -57394 43945 16352 76545 -40219 -2743 12095 1385 -42678 13977 -7802 -1122 30642 -12115 56172 -15294 57542 -1030 -35018 -731 6931 4007 -26898 1650 -1740 17775 3764 -8009 20679 675 -6522 24876 -3616 3127 5954 3855 -3163 -7515 10325 10101 12538 164 6258 1701 -6313 2431 4086 -8544 -3857 13446 16235 -4378 -1093 -1119 385 8639 -5964 11389 -4196 2468 1411 23 -3423 -1681 10914 3644 -1275 -6330 -6520 5967 -1252 -1628 1125 -6927 -1541 -698 798 -2610 3275 -3583 3387 -2238 -5463 3591 2297 4406 931 7597 -2013 2024 -1882 -1313 -3603 759 -1061 -993 -3000 -2689 439 -4506 659 -946 3701 1777 -426 89 -1714 446 1305 2858 3326 -1111 570 1238 -2325 28 1140 7268 1415 2461 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