File name: Pandora177s1_WestportCT_20240817_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20240818T050636.8Z 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_20240817_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: 20240817 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 20240817T150907.5Z 8995.631337 292 1 17.05 2 36.61 132.05 164.84 4.63 0.00 1 0.00 1 0 25 1.479e-02 1.123e-02 2.706e-03 1.586e-03 1.728974e-01 8.445690e-04 2.041525e-03 -6.000000e+00 8.923663e-03 231.60 -2.00 3.51 -2.00 315.72 0.00e+00 8.410764e-04 8.571857e-05 1.757082e-04 -6.000000e+00 4.026815e-04 289.95 -2.00 20.00 -2.00 314.94 0.00e+00 1.245 0.000 302.00 328.00 3 4.1465e+00 2.1959e-03 1.5330e-02 -6.0000e+00 2.2295e-02 4.5795e-02 2.4444e-03 8.8199e-03 -6.0000e+00 2.4130e-02 -4.8456e-03 1.3950e-03 4.2302e-03 -6.0000e+00 1.4401e-02 -7.6390e-03 6.1134e-04 1.1680e-03 -6.0000e+00 5.9721e-03 2.0202e-03 1.2245e-03 5.0061e-05 1.6156e-05 -6.0000e+00 4.4971e-04 6.1438e-02 3.5413e-05 12 9 9 12 1 1 99.99 23.26 0.31 0.06144 0.07064 25 17 1 5 0 655.430 26.62 20.01 23.26 29.97 26.1 1054.25 2230 221 -680 -4324 -2935 -940 -653 1434 -1087 -3428 -4379 -2022 -698 466 1047 15 612 1210 1621 2293 876 951 1706 1676 1541 653 -571 -563 -888 697 1780 1311 721 -4099 -5415 -3839 -2962 -522 26 -690 -816 -378 335 -95 535 95 -425 -667 -942 460 1216 1112 663 1096 480 1325 70 -234 -268 701 1647 2431 2513 1654 -350 -1334 -963 -342 1978 1072 909 1336 1145 1070 -408 -1098 -2242 -2503 -1487 -2209 -2515 -2766 -2739 -1584 -281 111 1183 1036 1501 1196 207 -815 -1336 337 -246 -185 631 914 -123 -1008 -1508 -1941 -462 -567 -1626 -1734 -1009 -724 884 1409 1326 762 466 255 234 232 105 342 576 290 595 613 859 721 959 -312 -108 908 77 -361 -944 -955 -310 162 168 79 686 726 533 -47 -542 -1474 -861 587 62 -188 -1146 -698 -212 -156 373 -311 -1017 -1300 -605 -226 167 373 6 238 479 656 943 368 398 718 735 705 304 -260 -241 -396 300 785 618 323 -1898 -2435 -1878 -1441 -292 17 -504 -587 -280 250 -72 398 70 -305 -506 -698 338 924 818 513 870 391 1087 59 -194 -220 575 1396 2185 2393 1626 -339 -1198 -798 -280 1712 1032 938 1409 1197 1072 -384 -938 -1929 -2094 -1298 -1970 -2482 -2955 -3094 -1724 -322 135 1494 1333 1895 1446 233 -909 -1385 339 -263 -216 738 1146 -161 -1291 -1808 -2192 -552 -657 -2032 -2291 -1379 -1026 1200 1991 1921 1094 635 346 293 279 127 435 783 417 868 882 1193 959 1211 -379 -137 1156 97 -477 -1294 -1330 -439 239 241 119 1052 1128 829 -72 -810 -2160 -1256 SS 20240817T152530.6Z 8995.642715 302 1 13.96 2 34.43 137.80 164.24 17.54 0.00 1 0.00 1 0 25 1.533e-02 1.125e-02 4.200e-03 2.513e-03 1.694752e-01 1.338845e-03 1.999360e-03 -6.000000e+00 9.247629e-03 231.60 -2.00 3.51 -2.00 315.61 0.00e+00 7.856394e-04 1.328889e-04 1.366879e-04 -6.000000e+00 4.172480e-04 289.95 -2.00 20.00 -2.00 314.82 0.00e+00 1.212 0.000 302.00 328.00 3 4.8190e+00 3.4784e-03 1.4976e-02 -6.0000e+00 2.3105e-02 5.0583e-02 3.8715e-03 8.6791e-03 -6.0000e+00 2.5005e-02 -5.2145e-03 2.2076e-03 4.1681e-03 -6.0000e+00 1.4924e-02 -7.0935e-03 9.6315e-04 1.1579e-03 -6.0000e+00 6.1895e-03 1.0710e-03 1.0855e-03 7.9301e-05 1.5831e-05 -6.0000e+00 4.6597e-04 6.0988e-02 4.6620e-05 12 9 9 12 1 1 99.70 23.28 0.40 0.06099 0.06914 8 7 1 5 0 1550.720 26.62 20.01 23.28 30.93 26.0 1059.75 3253 1301 -225 -4152 -4583 -3700 -1048 1434 334 -2662 -4134 -2428 -1015 575 1122 -111 -277 954 2027 2234 1874 -128 1758 1071 1931 -52 233 -267 993 272 1559 1107 885 -3841 -5275 -3554 -3330 -206 -401 -698 -510 -1008 215 -427 546 998 -509 -1002 -540 577 960 885 585 503 339 925 423 -587 45 1374 1635 2089 2299 1593 -395 -1081 -1076 4 2157 1303 657 1149 733 1191 -407 -1187 -2130 -2426 -1796 -1811 -2388 -2426 -3293 -1510 -174 288 1278 1175 1679 1244 374 -972 -1374 27 -367 -1 629 1080 -162 -609 -1230 -1952 -876 -406 -2047 -2070 -713 -613 671 1508 1015 769 694 185 1 -211 -15 146 785 303 441 792 568 907 1008 -137 -650 1097 129 -129 -541 -729 -602 300 326 100 379 638 690 -13 -560 -1430 -957 870 372 -64 -1128 -1137 -878 -257 381 96 -801 -1251 -744 -336 210 417 -44 -113 393 848 955 810 -56 767 490 913 -25 109 -118 439 118 693 490 407 -1828 -2440 -1736 -1670 -118 -268 -491 -384 -790 169 -339 427 764 -384 -731 -382 405 700 681 473 419 288 795 367 -510 39 1167 1444 1844 2148 1535 -374 -1008 -928 4 1930 1220 662 1184 751 1164 -398 -1054 -1739 -1924 -1490 -1660 -2287 -2508 -3633 -1727 -197 348 1602 1500 2104 1496 443 -1055 -1383 28 -381 -1 729 1339 -209 -770 -1457 -2311 -1016 -492 -2540 -2713 -961 -857 920 2145 1486 1112 950 248 2 -265 -19 184 1048 428 635 1122 780 1189 1255 -173 -797 1340 168 -167 -726 -994 -840 433 468 150 584 993 1073 -19 -838 -2097 -1398 SS 20240817T152937.7Z 8995.645575 305 1 23.75 2 33.92 139.33 163.99 20.61 0.00 1 0.00 1 0 17 1.454e-02 1.106e-02 6.016e-04 3.782e-04 1.673949e-01 2.021665e-04 1.968143e-03 -6.000000e+00 8.772848e-03 231.60 -2.00 3.51 -2.00 315.38 0.00e+00 7.866086e-04 1.928054e-05 1.271889e-04 -6.000000e+00 3.958679e-04 289.95 -2.00 20.00 -2.00 314.62 0.00e+00 1.204 0.000 302.00 328.00 3 1.8823e+00 5.2312e-04 1.4832e-02 -6.0000e+00 2.1918e-02 2.7741e-02 5.8201e-04 8.5373e-03 -6.0000e+00 2.3722e-02 -5.4803e-03 3.3128e-04 4.0942e-03 -6.0000e+00 1.4158e-02 -7.0118e-03 1.4346e-04 1.1351e-03 -6.0000e+00 5.8713e-03 2.0612e-02 1.1080e-03 1.1926e-05 1.5780e-05 -6.0000e+00 4.4210e-04 6.1514e-02 4.1822e-05 12 9 9 12 1 1 99.93 23.28 0.39 0.06151 0.06984 274 130 1 5 0 86.320 26.62 20.01 23.28 31.05 26.2 1060.87 2352 542 -669 -3636 -3014 -2017 306 1306 -504 -3428 -4385 -2004 -592 461 763 26 44 1479 1503 2155 782 790 1800 1974 1733 435 -668 -746 -130 8 1738 1746 327 -3767 -5490 -3985 -2982 -673 -210 -1062 -856 -245 43 41 737 131 -439 -617 -858 247 1173 967 965 909 489 1247 510 -26 -108 442 1528 2293 2495 1731 -310 -1364 -1083 -186 2050 1268 712 1161 868 1160 -193 -1214 -2139 -2469 -1439 -2089 -2553 -2681 -2834 -1496 -307 178 1002 950 1385 1036 485 -527 -1028 51 -175 -73 513 1003 62 -781 -1362 -1648 -502 -401 -1833 -1902 -1027 -734 723 1167 1178 781 527 139 -30 123 240 207 817 263 447 536 1024 693 1037 -283 -98 903 118 -264 -913 -1069 -244 180 330 73 624 628 387 -132 -414 -1343 -753 660 162 -198 -1021 -765 -538 85 362 -153 -1082 -1384 -637 -203 175 317 12 20 676 705 1028 381 383 876 999 840 215 -323 -371 -60 4 804 857 169 -2000 -2841 -2039 -1528 -396 -144 -757 -652 -193 34 33 581 102 -334 -454 -616 176 863 753 786 763 421 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