File name: Pandora206s1_BuffaloNY_20230815_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T060939.0Z 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_20230815_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: 20230815 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 20230815T121932.9Z 8627.513575 92 1 28.00 2 69.61 89.60 59.61 88.59 0.00 1 0.00 1 0 25 3.068e-01 2.442e-02 2.329e-01 1.642e-02 3.772554e-01 8.434692e-03 4.350858e-03 -6.000000e+00 1.771086e-01 231.84 -2.00 3.55 -2.00 319.33 0.00e+00 1.707233e-03 2.200786e-03 7.413962e-04 -6.000000e+00 8.394096e-03 287.94 -2.00 20.00 -2.00 318.52 0.00e+00 2.840 0.000 302.00 328.00 3 6.9365e+00 2.3923e-02 3.4598e-02 -6.0000e+00 4.4338e-01 9.6518e-02 2.8081e-02 2.1171e-02 -6.0000e+00 4.8027e-01 2.1152e-02 2.1227e-02 9.7134e-03 -6.0000e+00 2.8421e-01 -2.1489e-02 1.1163e-02 3.7371e-03 -6.0000e+00 1.2104e-01 1.8781e-05 2.5974e-04 4.6965e-04 3.1496e-05 -6.0000e+00 7.9689e-03 -2.4692e-02 3.0738e-04 12 8 8 10 0 0 97.84 18.52 3.50 -0.02469 -0.02274 7 7 2 8 0 4000.000 15.00 18.52 26.49 21.88 21.88 18.5 993.85 -37188 900000 64284 22481 182259 900000 900000 195447 91546 72536 900000 -28867 -42896 12107 -40847 40375 120440 53843 3452 11266 42189 -13165 -9220 56279 27694 19518 2707 16928 -18620 11608 17677 -8720 4809 8211 4981 6447 4637 -1314 14844 -11224 -6310 -3080 12994 -6156 5635 -8021 -1724 -17733 681 2432 4154 8410 -4096 6434 1780 4658 -866 5358 -5595 -7565 -5336 4699 2462 5698 -5192 -2704 586 -6392 3316 -1192 4383 58 4923 2186 3802 340 3865 446 -3688 -3399 -3871 2098 -2499 975 -1367 61 -369 1468 -2356 396 6104 -996 -69 -2601 2665 -2403 1556 936 1551 -655 3182 -1353 711 -2560 1029 -1486 487 33 -572 508 385 1942 -6034 -173 -1662 4042 -2838 -1166 -1052 1578 -597 1233 1425 17 2535 -1158 -817 -18 2599 -1603 1358 -1256 639 -1747 -159 395 173 1736 2401 851 -470 -1211 -2472 -1279 900000 1029 504 2916 900000 900000 3127 1465 1283 900000 -1386 -2780 542 -3693 1972 2840 2630 282 892 2665 -1359 -937 3365 2332 1874 299 1625 -2264 1105 1757 -1256 676 1196 700 858 691 -241 2813 -3143 -1873 -932 3493 -2044 1663 -2747 -552 -6597 211 790 1427 2873 -1691 2558 775 2012 -406 2358 -2677 -3643 -2583 2226 1316 3228 -3352 -1584 329 -3600 1894 -778 2995 44 3498 1528 2552 211 2099 240 -2190 -2316 -2865 1638 -2205 867 -1333 63 -402 1623 -2724 429 5753 -925 -62 -2320 2419 -2445 1710 1167 2066 -877 3844 -1564 741 -2814 1195 -1863 625 45 -829 788 642 3276 -10207 -273 -2444 5262 -3951 -1665 -1607 2497 -977 1935 2175 25 3466 -1573 -1104 -24 3550 -2475 2171 -2144 1096 -3190 -305 794 340 3427 4740 1727 -924 -2298 -4607 SS 20230815T125204.3Z 8627.536161 104 1 23.48 2 63.67 95.27 53.85 94.14 0.00 1 0.00 1 0 17 1.427e-02 5.660e-03 8.372e-03 1.931e-03 3.020588e-01 9.690644e-04 3.617141e-03 -6.000000e+00 8.124168e-03 231.84 -2.00 3.55 -2.00 317.84 0.00e+00 4.519875e-04 1.622731e-04 9.856277e-05 -6.000000e+00 3.609723e-04 287.94 -2.00 20.00 -2.00 317.00 0.00e+00 2.241 0.000 302.00 328.00 3 4.2102e+00 2.6097e-03 2.7288e-02 -6.0000e+00 2.0360e-02 3.7388e-03 2.9520e-03 1.6049e-02 -6.0000e+00 2.2039e-02 -1.5925e-04 1.8396e-03 7.7690e-03 -6.0000e+00 1.3124e-02 -1.8771e-03 9.3530e-04 2.1464e-03 -6.0000e+00 5.5725e-03 6.0251e-04 -5.4393e-05 5.3355e-05 2.1710e-05 -6.0000e+00 3.6408e-04 -2.3017e-02 1.5187e-04 12 1 1 12 1 1 98.39 18.50 0.47 -0.02302 -0.02343 25 33 4 8 0 896.780 15.00 18.50 28.05 21.88 21.88 18.7 1004.34 -4600 -2906 -664 -3218 -6792 -673 -5272 -1001 -2828 615 -3731 -761 -5156 -1702 -3044 -298 76 -1575 -221 -21 862 -708 1134 -528 405 -765 745 -556 -2253 -1226 806 314 4934 742 -1972 -1912 -2765 -1369 -401 -310 -730 -211 -204 -228 96 -589 -454 -1354 121 -282 1518 1015 793 1421 1008 859 991 419 502 122 764 1056 1718 1745 241 89 -345 -483 10 582 208 592 127 649 205 -241 -138 -865 -128 -1380 -1047 -532 -1832 -1695 -1009 -844 -201 -171 503 336 407 142 208 467 260 180 468 869 201 -249 -246 -732 -878 -177 -577 -772 -678 -594 -302 -49 305 352 8 154 -95 104 260 121 141 2 -93 118 259 248 565 600 439 1006 710 455 267 -24 -113 -100 -168 -90 -24 302 9 -369 -115 -503 -557 -338 -234 -55 -259 -495 -44 -383 -78 -254 57 -359 -72 -584 -216 -454 -49 13 -288 -42 -4 172 -142 228 -115 93 -185 180 -128 -488 -260 181 77 1271 210 -532 -496 -797 -451 -148 -136 -356 -107 -101 -114 51 -316 -240 -706 61 -144 813 556 461 874 647 562 664 282 329 79 510 757 1264 1389 197 67 -257 -351 8 481 180 535 115 564 176 -186 -102 -609 -94 -1104 -942 -503 -1884 -1814 -1095 -984 -234 -206 605 409 456 154 207 446 265 194 562 1110 276 -337 -313 -903 -1008 -208 -713 -1006 -924 -812 -434 -75 474 558 12 231 -130 140 350 170 203 3 -141 182 391 359 806 819 568 1367 997 656 410 -38 -183 -161 -289 -156 -42 547 16 -655 -195 -865 -932 SS 20230815T125837.0Z 8627.540706 107 1 7.12 2 62.48 96.45 52.70 95.31 0.00 1 0.00 1 0 17 1.158e-02 5.397e-03 3.585e-03 9.301e-04 2.899620e-01 4.669426e-04 3.475456e-03 -6.000000e+00 6.592547e-03 231.84 -2.00 3.55 -2.00 317.71 0.00e+00 5.277944e-04 7.491285e-05 9.851139e-05 -6.000000e+00 2.929317e-04 287.94 -2.00 20.00 -2.00 316.87 0.00e+00 2.153 0.000 302.00 328.00 3 1.6708e+00 1.2539e-03 2.6195e-02 -6.0000e+00 1.6521e-02 -1.5244e-02 1.4138e-03 1.5379e-02 -6.0000e+00 1.7885e-02 -3.4935e-03 8.6542e-04 7.4476e-03 -6.0000e+00 1.0650e-02 -6.0866e-04 4.3542e-04 2.0670e-03 -6.0000e+00 4.5218e-03 8.5625e-03 -8.4146e-05 2.5665e-05 2.1176e-05 -6.0000e+00 2.9545e-04 -2.2874e-02 1.4478e-04 12 1 1 12 1 1 98.85 18.50 0.27 -0.02287 -0.02351 112 230 2 8 0 59.980 15.00 18.50 28.36 21.88 21.88 18.7 1006.00 -2079 -1419 -1393 -2856 -5121 -4933 -2415 -2265 -857 -2638 -3075 -3367 -867 -2079 -560 -775 -536 115 989 742 829 26 128 251 306 -157 -17 -363 -1616 -89 1030 719 1674 -281 -2424 -2643 -1993 -1991 -485 -160 -624 -681 -188 -696 166 11 -77 -271 -638 -189 787 716 941 1226 820 1164 858 602 581 568 1027 1284 1398 1858 505 -87 -327 -703 318 429 536 316 218 394 250 11 -402 -928 -442 -684 -1041 -817 -1980 -1557 -1198 -611 -348 -192 404 233 381 334 79 154 468 106 338 714 261 -243 -228 -649 -750 -121 -682 -861 -675 -465 -278 309 438 223 310 178 -155 72 57 187 47 166 -302 15 339 173 698 446 384 848 651 192 319 164 -242 99 -2 -76 -53 183 -28 -321 -183 -436 -524 -172 -130 -133 -263 -421 -385 -195 -205 -86 -290 -334 -372 -106 -299 -92 -143 -103 23 206 161 184 6 29 60 78 -38 -4 -92 -383 -20 253 192 486 -80 -715 -751 -620 -651 -189 -74 -319 -364 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