File name: Pandora206s1_BuffaloNY_20231107_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20231108T055552.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v1d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20231107_L1_smca1c1d20220512p1-8.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]: 305.0398 305.1808 305.3218 305.4628 305.6038 305.7447 305.8857 306.0266 306.1675 306.3084 306.4493 306.5902 306.7311 306.8720 307.0128 307.1537 307.2945 307.4353 307.5761 307.7169 307.8577 307.9985 308.1393 308.2800 308.4207 308.5615 308.7022 308.8429 308.9836 309.1243 309.2649 309.4056 309.5462 309.6869 309.8275 309.9681 310.1087 310.2493 310.3899 310.5305 310.6710 310.8116 310.9521 311.0926 311.2331 311.3736 311.5141 311.6546 311.7950 311.9355 312.0759 312.2164 312.3568 312.4972 312.6376 312.7779 312.9183 313.0587 313.1990 313.3394 313.4797 313.6200 313.7603 313.9006 314.0408 314.1811 314.3214 314.4616 314.6018 314.7421 314.8823 315.0225 315.1626 315.3028 315.4430 315.5831 315.7232 315.8634 316.0035 316.1436 316.2837 316.4238 316.5638 316.7039 316.8439 316.9839 317.1240 317.2640 317.4040 317.5439 317.6839 317.8239 317.9638 318.1038 318.2437 318.3836 318.5235 318.6634 318.8033 318.9431 319.0830 319.2228 319.3627 319.5025 319.6423 319.7821 319.9219 320.0616 320.2014 320.3412 320.4809 320.6206 320.7603 320.9000 321.0397 321.1794 321.3191 321.4587 321.5984 321.7380 321.8776 322.0172 322.1568 322.2964 322.4360 322.5755 322.7151 322.8546 322.9941 323.1336 323.2731 323.4126 323.5521 323.6916 323.8310 323.9705 324.1099 324.2493 324.3887 324.5281 324.6675 324.8069 324.9462 --------------------------------------------------------------------------------------- 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 9.725e-02 1.449e-02 1.459e-01 2.196e-02 2.894795e-01 1.072134e-02 3.600899e-03 -6.000000e+00 5.360392e-02 223.43 -2.00 3.55 -2.00 319.10 0.00e+00 -1.501546e-04 2.468157e-03 5.503118e-04 -6.000000e+00 2.366111e-03 278.75 -2.00 20.00 -2.00 318.43 0.00e+00 2.110 0.000 302.00 328.00 3 2.6597e+00 2.9571e-02 2.5561e-02 -6.0000e+00 1.3212e-01 -1.5305e-01 3.4031e-02 1.5397e-02 -6.0000e+00 1.4417e-01 4.6326e-02 2.3516e-02 7.5378e-03 -6.0000e+00 8.5954e-02 -2.9940e-03 1.2339e-02 2.1807e-03 -6.0000e+00 3.6813e-02 3.5287e-03 1.7950e-04 6.3949e-04 2.4693e-05 -6.0000e+00 2.4756e-03 6.7136e-03 -6.2576e-05 12 8 8 10 0 0 38.70 18.14 0.67 0.00671 0.00806 2252 11259 3 8 0 2.400 15.00 18.14 17.92 21.58 21.58 19.3 961.43 -27140 -5567 -28189 -12240 -9864 10045 -14861 -42588 -27303 36792 51067 -20087 6195 15203 17794 -17836 8017 -14355 3109 -11720 7558 10553 -3719 -7115 16221 17426 5144 3601 13327 7850 10521 3836 -2027 -15894 2552 19313 -7654 -3941 -6110 3435 2889 -8079 2721 -1142 7011 -3952 9132 -683 5247 -5929 4120 464 2583 2401 1111 1532 1071 -858 -1217 -1085 5167 3766 2100 4321 795 2964 -2001 -1695 666 -2416 -2010 2298 597 -959 -194 -1728 751 -2449 2339 -2843 1917 -810 12 -2585 -3304 -2278 633 511 -2087 -410 -380 770 -989 1272 1057 -78 606 1609 226 108 277 -1473 -2232 -271 427 -1842 -238 -926 811 701 -109 2058 870 361 -273 256 -371 829 -902 -54 -610 581 -478 1769 -502 541 -217 -701 1366 243 842 -535 675 -196 20 -155 -468 -453 -34 -973 1049 -440 208 -1605 -295 -1955 -687 -473 398 -773 -3301 -2060 1655 1969 -1536 417 1085 1434 -2205 804 -1887 360 -1643 898 1202 -503 -1074 2053 2290 776 519 1685 1041 1470 594 -367 -3481 430 2797 -1535 -886 -1633 995 928 -3032 953 -421 2376 -1505 3010 -244 1744 -2219 1492 189 1092 1084 529 742 536 -437 -609 -537 2483 1985 1234 2688 494 1728 -1148 -948 388 -1669 -1462 1675 443 -727 -136 -1101 423 -1357 1302 -1906 1385 -671 11 -2339 -3246 -2386 679 568 -2400 -447 -398 731 -877 1071 954 -79 683 1931 293 137 344 -1715 -2444 -302 520 -2417 -323 -1274 1156 1074 -180 3368 1390 564 -394 345 -503 1164 -1388 -88 -1020 944 -768 2659 -732 747 -286 -938 1940 375 1366 -907 1153 -350 37 -312 -967 -961 -72 -2019 2055 -844 385 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 29 7.341e-02 1.272e-02 1.376e-01 1.948e-02 2.833476e-01 9.513925e-03 3.424519e-03 -6.000000e+00 4.046785e-02 223.43 -2.00 3.55 -2.00 319.11 0.00e+00 2.063709e-05 2.182703e-03 1.863688e-04 -6.000000e+00 1.786029e-03 278.75 -2.00 20.00 -2.00 318.43 0.00e+00 2.109 0.000 302.00 328.00 3 2.5411e+00 2.6205e-02 2.5182e-02 -6.0000e+00 9.9746e-02 -1.7304e-01 3.0226e-02 1.4602e-02 -6.0000e+00 1.0884e-01 8.1974e-02 2.1355e-02 7.2938e-03 -6.0000e+00 6.4888e-02 -2.0635e-02 1.1225e-02 2.1050e-03 -6.0000e+00 2.7795e-02 4.0093e-03 1.6721e-04 5.6930e-04 2.3249e-05 -6.0000e+00 1.8686e-03 6.0874e-03 -4.8819e-05 12 8 8 10 0 0 23.68 18.14 0.35 0.00609 0.00734 2252 11259 3 8 0 2.400 15.00 18.14 17.92 21.58 21.58 19.3 961.43 37783 -2259 -2999 -11223 -8017 -7911 -19169 -32160 4320 10398 -2824 -20173 -14532 3947 17709 -4161 17455 -13743 -3955 -10569 -11831 14986 10495 12425 2472 14248 -8756 24205 2356 15009 5323 15420 -2694 -3992 3213 -1254 11033 1460 4465 -5009 -2120 -2940 -2228 2570 2662 -4254 3372 1473 -62 -3806 -2529 2286 -78 -1487 1494 -238 -1202 1949 -779 -3509 6807 1041 2454 4155 -1412 -928 -2147 -3844 2864 -2448 -764 1787 2312 -3678 1908 536 596 1021 -2814 -1225 1261 1074 -1102 -2013 -1998 52 -1189 757 -275 1292 499 1226 -182 1372 1008 1334 764 -323 367 -316 323 -181 -1193 -1090 -602 -1541 -1644 590 -759 1006 1038 1536 1499 -264 -1590 -1012 -1676 600 -145 672 990 -453 -727 585 200 -1039 7 95 -36 -728 820 -42 852 -1356 -180 278 266 533 477 -158 -290 -394 -127 1128 -107 -150 -581 -370 -351 -976 -2110 234 574 -168 -1463 -1142 300 1361 -430 1597 -1725 -474 -1414 -1651 1656 1196 1498 349 1883 -1482 2905 311 1814 734 2183 -483 -765 531 -210 1813 307 1064 -1566 -711 -1042 -816 911 942 -1626 1180 515 -22 -1398 -981 916 -34 -700 710 -118 -617 970 -390 -1794 3243 568 1391 2506 -907 -568 -1244 -2215 1641 -1635 -554 1323 1706 -2778 1323 337 340 552 -1664 -815 924 879 -950 -1827 -1956 53 -1312 848 -314 1398 502 1170 -161 1162 915 1344 830 -398 479 -407 387 -209 -1300 -1232 -744 -1946 -2178 804 -1105 1545 1696 2538 2390 -400 -2330 -1382 -2308 846 -222 1090 1633 -746 -1175 892 290 -1462 9 127 -51 -1134 1330 -70 1452 -2454 -344 558 545 1119 1010 -326 -577 -758 -238 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 2.493e-01 3.379e-02 3.424e-01 5.343e-02 2.892881e-01 2.597862e-02 3.587887e-03 -6.000000e+00 1.374753e-01 223.43 -2.00 3.55 -2.00 319.10 0.00e+00 4.449897e-04 6.014809e-03 1.121525e-03 -6.000000e+00 6.066313e-03 278.75 -2.00 20.00 -2.00 318.43 0.00e+00 2.109 0.000 302.00 328.00 3 3.6320e+00 7.1700e-02 2.5628e-02 -6.0000e+00 3.3885e-01 -1.7164e-01 8.2635e-02 1.5740e-02 -6.0000e+00 3.6971e-01 6.7432e-02 5.6778e-02 7.6922e-03 -6.0000e+00 2.2042e-01 -2.1519e-02 2.9615e-02 2.1612e-03 -6.0000e+00 9.4444e-02 1.3417e-03 1.0716e-03 1.5551e-03 2.3907e-05 -6.0000e+00 6.3465e-03 3.1419e-03 -1.0081e-04 12 8 8 10 0 0 3.91 18.14 0.05 0.00314 0.01119 2252 11259 3 8 0 2.400 15.00 18.14 17.92 21.58 21.58 19.3 961.43 45731 16035 -17851 -47295 134269 39255 167069 -50991 30855 -57475 43846 16307 76532 -40230 -2749 12067 1343 -42711 13945 -7831 -1162 30603 -12131 56151 -15324 57509 -1080 -35080 -777 6921 4013 -26894 1659 -1765 17737 3766 -7988 20709 706 -6505 24875 -3619 3126 5951 3858 -3157 -7509 10334 10111 12554 186 6275 1718 -6299 2441 4094 -8537 -3851 13455 16251 -4356 -1068 -1094 408 8266 -5945 11407 -4180 2483 1424 37 -3407 -1662 10937 3672 -1244 -6300 -6497 5977 -1245 -1621 1133 -6915 -1531 -691 808 -2597 3292 -3559 3422 -2416 -5423 3626 2310 4400 920 7584 -2024 2034 -1853 -1279 -3560 785 -1071 -997 -2992 -2854 442 -4510 649 -947 3581 1811 -383 -29 -1693 443 1289 2835 3321 -1090 597 1271 -2279 69 1184 7307 1400 2434 -218 -1953 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