File name: Pandora206s1_BuffaloNY_20231225_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T071340.0Z 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_20231225_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: 20231225 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 20231225T142210.3Z 8759.598730 290 1 24.01 2 77.40 139.88 107.57 337.43 0.00 1 0.00 1 0 25 5.581e-01 6.324e-02 3.543e-01 3.687e-02 6.197377e-01 2.063200e-02 7.340536e-03 -6.000000e+00 3.240500e-01 222.68 -2.00 3.55 -2.00 320.75 0.00e+00 8.004397e-03 7.951143e-03 3.943631e-04 -6.000000e+00 2.162594e-02 273.73 -2.00 20.00 -2.00 320.27 0.00e+00 4.459 0.002 302.00 328.00 3 6.0569e+00 6.2660e-02 5.3908e-02 -6.0000e+00 8.1320e-01 3.4506e-01 8.0210e-02 3.2574e-02 -6.0000e+00 8.9523e-01 -1.3876e-01 8.2177e-02 1.6876e-02 -6.0000e+00 5.1210e-01 5.1808e-02 4.1676e-02 6.1081e-03 -6.0000e+00 2.2815e-01 6.4844e-06 -6.3094e-03 1.0822e-03 6.9136e-05 -6.0000e+00 1.5826e-02 -1.1224e-02 5.4119e-05 12 8 8 10 0 0 91.44 17.99 3.17 -0.01122 -0.05864 6 6 2 8 0 4000.000 14.99 17.99 14.79 21.48 21.38 19.8 982.80 -258371 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 301252 900000 11251 900000 900000 900000 900000 97448 101385 900000 900000 -36175 900000 158994 211190 4956 122058 21934 10963 74492 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10295 -249 7462 -28942 9581 -6666 5409 1124 3373 -3126 109 4488 -3117 1208 -1440 9313 1032 6596 -1312 6376 1990 4057 1511 -2205 1742 -3179 5215 -1352 2715 -2335 11291 138 -19126 -7001 4763 -10634 2359 -1645 -4221 -5097 3096 1868 -10970 5637 -3994 11389 -5481 -2957 -2076 6193 148 1857 4226 5380 8214 1107 4466 -4041 6495 -12336 14155 2173 1202 -10282 -2416 -994 -1131 6711 -2326 3606 1553 -3444 -3632 SS 20231225T143115.4Z 8759.605040 295 1 17.49 2 76.35 141.73 108.14 339.37 0.00 1 0.00 1 0 17 2.298e-01 6.146e-03 1.844e-01 3.842e-03 5.987220e-01 1.958026e-03 6.839732e-03 -6.000000e+00 1.260812e-01 222.68 -2.00 3.55 -2.00 320.71 0.00e+00 2.358222e-03 7.750094e-04 6.117124e-04 -6.000000e+00 5.476761e-03 273.73 -2.00 20.00 -2.00 320.22 0.00e+00 4.139 0.001 302.00 328.00 3 2.7552e+00 5.9228e-03 5.0916e-02 -6.0000e+00 3.1077e-01 2.4702e-02 7.8058e-03 3.1908e-02 -6.0000e+00 3.3974e-01 -2.5206e-02 8.2111e-03 1.6678e-02 -6.0000e+00 2.0206e-01 -1.4492e-03 4.1098e-03 6.1108e-03 -6.0000e+00 8.6174e-02 3.0648e-04 -5.8270e-04 1.0381e-04 5.8729e-05 -6.0000e+00 5.8507e-03 -1.0371e-02 8.8133e-05 12 1 1 12 1 1 99.95 17.99 0.29 -0.01037 -0.01475 45 47 4 8 0 380.000 15.00 17.99 14.84 21.48 21.38 19.7 982.25 -95699 4300 -76876 -27055 -89729 -43752 -120026 -16354 -122570 -38773 -56333 -30402 -52538 -3415 -25495 -1552 -47794 -13061 5174 -32106 7699 -2362 -9700 -47514 -14322 -14009 -1614 -9328 -9342 -10975 8828 5567 -4757 4321 -5927 -7391 -9501 997 -11017 1489 -2671 -352 3009 2526 4194 -5761 3383 -1191 2724 -380 3526 623 3600 1332 2408 -41 3106 640 868 1744 -666 2006 972 3685 -121 1965 -378 -601 -597 1030 1167 1543 1476 757 517 -538 -138 -4784 -387 -1366 -820 -1790 -1138 -1698 -1561 -3 243 395 277 1200 1169 83 -125 390 -151 218 550 1053 136 -229 34 -674 -1305 -880 -501 -522 -565 -483 -188 -130 0 58 134 5 -149 212 -65 139 163 337 -74 -87 326 178 414 -173 122 773 293 427 155 109 -340 -138 -120 -341 -70 352 88 27 11 -159 -353 -717 16 -615 -138 -717 -234 -1409 -83 -1929 -311 -558 -260 -717 -37 -401 -25 -1277 -274 98 -938 167 -53 -245 -1935 -451 -469 -49 -296 -287 -370 314 225 -250 225 -321 -401 -589 66 -1013 147 -309 -43 372 322 531 -827 452 -172 394 -60 601 122 747 309 586 -11 805 169 221 433 -176 569 317 1322 -44 718 -139 -227 -248 460 574 787 743 362 241 -226 -54 -1966 -171 -678 -470 -1185 -816 -1286 -1268 -3 217 361 253 1043 939 63 -90 288 -126 209 569 1245 176 -292 41 -724 -1361 -877 -541 -591 -675 -619 -261 -190 -1 98 224 8 -224 302 -94 210 261 564 -123 -138 502 263 618 -251 169 1117 455 739 293 207 -675 -289 -269 -766 -159 814 204 61 25 -330 -709 SS 20231225T143550.1Z 8759.608219 298 1 7.10 2 75.84 142.68 108.41 340.36 0.00 1 0.00 1 0 17 2.481e-01 7.479e-03 2.098e-01 5.580e-03 5.860144e-01 2.818393e-03 6.718732e-03 -6.000000e+00 1.361970e-01 222.68 -2.00 3.55 -2.00 320.53 0.00e+00 1.189651e-03 1.065042e-03 6.885459e-04 -6.000000e+00 5.989984e-03 273.73 -2.00 20.00 -2.00 320.03 0.00e+00 3.999 0.001 302.00 328.00 3 2.8599e+00 8.4360e-03 4.9234e-02 -6.0000e+00 3.3570e-01 3.9426e-02 1.0874e-02 3.0563e-02 -6.0000e+00 3.6693e-01 -5.1136e-02 1.1121e-02 1.6275e-02 -6.0000e+00 2.1838e-01 1.1928e-02 5.6246e-03 5.3796e-03 -6.0000e+00 9.3570e-02 3.1839e-04 -4.6365e-05 1.5061e-04 5.6895e-05 -6.0000e+00 6.3192e-03 -1.1264e-02 1.8597e-04 12 9 1 12 1 1 97.24 18.00 0.35 -0.01126 -0.01161 13 53 4 8 0 506.630 15.00 18.00 14.90 21.48 21.38 19.7 982.97 -66613 -105993 900000 -83795 -25448 -112759 -34146 -110844 -44866 -66577 22559 -16246 -8525 19924 -41057 -16023 -33293 19826 -19063 137743 -27752 -695 -21793 829 -19840 -4349 -6845 -16104 -9919 -18338 -4460 -1352 1679 -6601 2493 -12216 -1103 -5639 6733 -559 2233 1898 -15231 2836 -1236 2979 513 1429 -576 4758 -69 2800 155 2184 740 2575 2057 -389 793 -418 2921 1229 3772 1073 1724 -490 856 -1579 2262 1379 2625 1985 -21 2504 -276 566 -2767 -1577 -2822 -1110 -1593 -849 -2125 -970 -768 -697 37 382 709 681 946 143 264 -1049 517 -341 385 340 529 -543 -1 -751 -1300 -737 -1158 -626 -688 -576 -547 852 471 914 -534 370 -338 161 -315 -340 496 -31 292 -365 638 -96 1110 166 -80 195 409 402 288 -14 -494 318 -487 -211 -106 407 209 172 -294 -27 -575 -494 -1363 900000 -912 -152 -1450 -242 -1754 -464 -856 135 -159 -97 217 -934 -341 -939 399 -556 974 -961 -20 -744 25 -795 -159 -264 -653 -399 -780 -196 -68 95 -438 142 -792 -71 -452 589 -64 279 254 -2554 405 -185 438 78 222 -95 786 -13 587 36 548 199 707 587 -113 220 -115 805 379 1287 424 705 -196 332 -641 970 694 1439 1140 -12 1331 -138 249 -1172 -662 -1338 -614 -1029 -569 -1572 -745 -632 -612 34 357 661 607 777 110 195 -799 433 -333 428 400 670 -685 -1 -863 -1366 -786 -1352 -704 -815 -731 -753 1289 732 1479 -868 569 -527 238 -472 -534 822 -50 464 -605 1016 -148 1614 234 -109 277 654 665 519 -26 -988 666 -1029 -467 -237 926 474 373 -603 -55 -1165 SS 20231225T144151.9Z 8759.612407 301 1 46.09 2 75.18 143.93 108.75 341.68 0.00 1 0.00 1 0 25 1.992e-01 5.256e-03 1.971e-02 7.088e-04 5.605642e-01 3.562804e-04 6.458410e-03 -6.000000e+00 1.093400e-01 222.68 -2.00 3.55 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