File name: Pandora177s1_WestportCT_20240428_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20240810T193521.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20240428_L1_smca1c3d20221101p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20240428 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20240428T161145.2Z 8884.674829 431 1 49.90 2 27.98 159.53 125.44 260.38 0.00 1 0.00 1 0 17 1.635e-02 1.106e-02 9.514e-03 4.573e-03 1.747068e-01 2.386441e-03 2.072559e-03 -6.000000e+00 9.785312e-03 229.76 -2.00 3.51 -2.00 316.57 0.00e+00 2.674808e-04 2.814419e-04 2.385704e-04 -6.000000e+00 4.301107e-04 281.77 -2.00 20.00 -2.00 315.84 0.00e+00 1.132 0.000 302.00 328.00 3 6.2257e+00 6.2371e-03 1.4476e-02 -6.0000e+00 2.4405e-02 6.6475e-02 6.9940e-03 8.8458e-03 -6.0000e+00 2.6496e-02 -6.7806e-03 4.0149e-03 4.2943e-03 -6.0000e+00 1.5758e-02 -8.5018e-03 1.8041e-03 1.1804e-03 -6.0000e+00 6.5000e-03 2.7942e-04 9.4877e-04 1.4571e-04 1.5339e-05 -6.0000e+00 4.9658e-04 6.3736e-02 -9.1935e-05 12 8 8 10 0 0 99.40 22.96 1.04 0.06374 0.07087 15 3 1 5 0 3326.400 26.32 20.00 22.96 19.88 24.4 1002.48 1558 2017 -1940 -1149 -3642 -290 -797 914 3533 -5770 -2063 -5963 -405 -2796 -137 348 -725 964 3583 2761 138 1482 1871 547 1335 1235 -1350 -1456 2967 -2195 618 217 -396 -3042 -4423 -3893 -3441 -681 -338 505 -2073 -548 447 1258 788 253 -623 737 -1061 664 791 619 811 74 462 2008 371 534 -982 769 1529 2938 1892 1280 -228 -1382 -1069 -94 3709 128 -88 1262 559 308 -366 -993 -2639 -1935 -1927 -2071 -3093 -2059 -2634 -438 211 176 1631 1119 2017 591 362 -1156 -1119 -528 -298 273 238 921 125 -64 -1876 -1365 -869 -890 -1820 -1385 -637 -694 1084 1497 1486 746 399 -667 502 -700 -637 -8 303 173 472 732 972 376 966 -444 48 420 58 -986 -813 -1304 -235 601 572 304 725 676 208 89 -603 -1012 -778 320 430 -418 -226 -669 -50 -148 185 748 -1357 -464 -1440 -102 -802 -42 111 -241 322 1196 950 49 518 662 205 517 482 -521 -529 970 -740 210 79 -150 -1161 -1640 -1447 -1411 -320 -184 305 -1376 -370 303 847 530 168 -405 454 -650 402 499 413 565 54 339 1475 278 396 -731 566 1165 2355 1624 1129 -196 -1106 -862 -75 3079 111 -82 1186 522 276 -333 -818 -2018 -1428 -1501 -1788 -2973 -2112 -2872 -493 230 205 1962 1373 2416 747 422 -1238 -1109 -515 -306 305 291 1200 169 -84 -2330 -1583 -995 -1070 -2355 -1883 -895 -1014 1631 2346 2382 1185 601 -935 643 -870 -800 -11 423 256 707 1076 1377 512 1245 -550 57 506 74 -1340 -1136 -1857 -340 900 900 500 1217 1150 355 150 -984 -1612 -1239 SS 20240428T162934.7Z 8884.687207 443 1 47.39 2 27.06 168.66 128.60 262.85 0.00 1 0.00 1 0 17 1.488e-02 1.092e-02 3.067e-03 1.708e-03 1.663630e-01 9.021837e-04 1.948600e-03 -6.000000e+00 8.910204e-03 229.76 -2.00 3.51 -2.00 315.92 0.00e+00 1.005255e-03 9.264788e-05 1.186474e-04 -6.000000e+00 3.913905e-04 281.77 -2.00 20.00 -2.00 315.24 0.00e+00 1.123 0.000 302.00 328.00 3 5.0174e+00 2.3404e-03 1.4106e-02 -6.0000e+00 2.2223e-02 5.1682e-02 2.6108e-03 8.4241e-03 -6.0000e+00 2.4124e-02 -7.2961e-03 1.4900e-03 4.0662e-03 -6.0000e+00 1.4347e-02 -6.9550e-03 6.5269e-04 1.2345e-03 -6.0000e+00 5.9201e-03 9.6352e-04 1.0609e-03 5.4317e-05 1.4822e-05 -6.0000e+00 4.5194e-04 6.3709e-02 1.7782e-05 12 9 9 12 1 1 99.88 23.00 0.38 0.06371 0.07168 24 6 1 5 0 1895.410 26.41 20.01 23.00 20.73 24.5 1008.06 2103 -106 -1521 -2751 -3243 -1328 79 1017 -1378 -4260 -4601 -3008 220 226 985 -854 608 864 2245 2098 1170 957 1256 2291 1872 498 -1566 -537 -371 348 2328 1904 -141 -4206 -5019 -3511 -2011 -1021 -182 -879 -680 -453 63 -183 709 -89 -146 -545 -775 332 1149 1036 942 961 348 1633 258 -186 -336 1019 1740 2369 2508 1513 -780 -1180 -1312 109 2370 1002 547 1101 816 975 -111 -1507 -2283 -2094 -1460 -2180 -2793 -3100 -3022 -1296 -362 237 1114 1118 1500 1094 313 -801 -656 120 -234 -381 454 1094 -355 -861 -1398 -1504 -348 -506 -1846 -1688 -1022 -753 884 1518 1229 604 503 65 291 -123 41 85 481 311 350 537 976 661 771 -84 -274 825 -27 -591 -841 -1080 -184 357 598 168 419 585 342 -134 -520 -1166 -681 517 -28 -395 -665 -716 -278 17 245 -363 -1167 -1252 -831 65 74 352 -328 236 342 898 859 487 397 526 987 842 229 -708 -226 -147 134 910 794 -62 -1901 -2190 -1515 -944 -557 -115 -624 -469 -322 46 -132 505 -63 -110 -397 -551 234 838 798 759 796 269 1264 203 -146 -287 867 1531 2010 2253 1403 -713 -994 -1126 92 2106 904 530 1087 800 913 -106 -1326 -1847 -1640 -1198 -1990 -2828 -3087 -3178 -1414 -418 290 1414 1442 1900 1327 353 -825 -686 123 -255 -411 532 1366 -463 -1096 -1665 -1683 -382 -583 -2303 -2219 -1391 -1062 1284 2293 1904 927 729 88 360 -147 49 108 647 441 507 764 1336 869 963 -100 -348 1053 -34 -772 -1133 -1480 -256 515 905 267 680 962 563 -217 -820 -1800 -1048 SS 20240428T163905.0Z 8884.693808 446 1 10.54 2 26.78 173.71 130.29 264.20 0.00 1 0.00 1 0 17 1.429e-02 1.122e-02 3.014e-03 1.955e-03 1.663305e-01 1.039980e-03 1.966911e-03 -6.000000e+00 8.558841e-03 229.76 -2.00 3.51 -2.00 315.21 0.00e+00 8.390267e-04 9.327672e-05 1.089132e-04 -6.000000e+00 3.760138e-04 281.77 -2.00 20.00 -2.00 314.58 0.00e+00 1.120 0.000 302.00 328.00 3 4.3514e+00 2.6801e-03 1.4090e-02 -6.0000e+00 2.1347e-02 4.7970e-02 2.9844e-03 8.4281e-03 -6.0000e+00 2.3173e-02 -1.0145e-02 1.7001e-03 4.0731e-03 -6.0000e+00 1.3782e-02 -4.3067e-03 7.2907e-04 1.1677e-03 -6.0000e+00 5.6863e-03 1.8854e-03 9.7200e-04 6.1468e-05 1.5711e-05 -6.0000e+00 4.3417e-04 6.3631e-02 -1.0674e-05 12 9 9 12 1 1 99.19 23.03 0.53 0.06363 0.07093 9 11 1 5 0 1052.740 26.41 20.00 23.03 21.47 24.3 1012.44 2226 -691 -4 -3131 -2724 -1352 1396 3271 -1190 -3811 -3866 -1118 -211 830 287 -197 7 1822 1859 2038 172 967 714 1664 1518 495 -1018 -718 -493 539 368 1727 95 -3651 -5519 -3114 -2649 -608 -92 -877 -947 -425 19 35 1091 211 -295 -393 -747 262 870 1147 1247 753 486 1241 452 -123 -88 321 1947 2358 2360 1809 -608 -1071 -968 -198 2268 1187 532 1259 892 1194 -507 -1431 -1653 -2440 -1268 -2001 -2703 -3078 -3045 -1619 -113 218 820 1111 1223 1025 112 -785 -974 317 -33 -164 533 816 -82 -835 -1431 -1582 -762 -418 -1824 -1659 -1153 -564 1227 1305 990 562 784 128 597 -78 304 64 862 296 268 579 861 734 1017 87 306 693 -362 -590 -1019 -851 -114 537 335 60 657 598 346 -195 -513 -1358 -825 679 -227 -1 -942 -742 -351 375 956 -389 -1292 -1298 -376 -77 336 128 -93 3 883 846 946 82 454 340 818 777 258 -519 -374 -242 256 181 890 47 -1854 -2984 -1651 -1415 -374 -61 -650 -751 -348 15 29 887 171 -232 -298 -553 193 663 920 1044 652 430 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