File name: Pandora177s1_WestportCT_20231010_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T033618.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231010_L1_smca1c7d20230401p1-8.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: 20231010 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: 218 359 Nominal wavelengths inside fitting window [nm]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20231010T124145.0Z 8683.528993 218 1 49.14 2 72.45 115.95 30.57 143.49 0.00 1 0.00 1 0 25 5.072e-01 4.507e-02 3.756e-01 3.674e-02 4.240240e-01 2.025247e-02 8.568662e-03 -6.000000e+00 3.070240e-01 226.49 -2.00 3.51 -2.00 320.32 0.00e+00 1.341735e-02 7.044351e-03 8.384828e-03 -6.000000e+00 1.517295e-02 284.78 -2.00 20.00 -2.00 319.67 0.00e+00 3.269 0.001 302.00 328.00 3 6.2354e+00 6.0458e-02 5.0613e-02 -6.0000e+00 7.6256e-01 1.2300e-01 7.2526e-02 4.4300e-02 -6.0000e+00 8.2761e-01 -2.5764e-01 5.5085e-02 2.4115e-02 -6.0000e+00 4.8835e-01 1.2391e-01 2.8064e-02 8.1735e-03 -6.0000e+00 2.0896e-01 2.3022e-05 -1.1666e-03 1.1981e-03 1.9654e-04 -6.0000e+00 1.5341e-02 3.9516e-03 0.0000e+00 12 9 8 11 8 0 99.95 22.83 1.70 0.00395 -0.00481 15 3 1 5 0 3275.690 26.21 19.99 22.83 15.91 21.9 954.79 -12741 -99505 900000 -80553 900000 -1467 900000 23806 900000 900000 -99131 -107471 -24366 -70956 57481 900000 29132 154482 44585 217645 116008 -2545 900000 -9620 900000 122051 350608 -31450 79912 109536 -9080 -65774 60633 13890 72406 -18228 88975 49514 3416 -2432 8955 -2790 45631 -11263 17934 2764 14354 13107 34975 -2346 5642 17914 1208 28989 -2418 1290 7370 18184 6993 -426 -1242 42100 18372 -2070 7376 4572 7369 -6787 12479 -4438 9207 14932 -5285 8789 3863 -4902 5536 -17520 -1963 -1432 -8007 -6258 7809 -10204 11534 -691 -1902 -1143 503 9040 -46 -10534 -9331 -1201 -2631 -1035 -8011 4373 1724 -2370 -4168 -3869 -3745 -2259 -3125 -6614 -447 -456 2272 3850 5050 6871 -235 674 -3092 130 991 2757 1227 -2383 282 216 5083 -444 1497 -1257 1039 4664 950 -735 -1551 1257 68 -541 -1531 -1611 -44 887 3403 -1742 268 -2832 -456 -7317 900000 -4642 900000 -52 900000 852 900000 900000 -6304 -8329 -1017 -5922 2056 900000 1332 5526 1949 7785 4150 -177 900000 -749 900000 4366 12542 -2978 2859 3918 -860 -12594 3572 1315 3657 -2263 4119 3959 503 -425 1507 -558 5857 -2631 3208 587 2748 2565 5593 -568 1353 4109 348 6588 -768 399 2140 4668 1986 -133 -415 10099 6185 -915 2980 1809 2713 -2942 4910 -2306 4475 7006 -2969 4050 1822 -2291 2191 -8891 -948 -794 -5388 -4561 5290 -8760 8484 -612 -1790 -1089 466 7356 -38 -8949 -7468 -913 -2242 -986 -9259 4938 2100 -2946 -4873 -4134 -3868 -2389 -3564 -8281 -555 -601 3160 5724 7859 10645 -378 1012 -4528 179 1375 3970 1907 -3985 460 343 7421 -660 2092 -1725 1368 6205 1438 -1233 -2778 2269 129 -1091 -3294 -3609 -99 2000 7426 -3872 555 -5793 SS 20231010T124926.6Z 8683.534336 224 1 7.08 2 71.16 117.43 29.78 146.76 0.00 1 0.00 1 0 25 7.493e-02 1.273e-02 4.513e-02 4.476e-03 3.974691e-01 2.350897e-03 5.005469e-03 -6.000000e+00 4.453385e-02 226.49 -2.00 3.51 -2.00 319.16 0.00e+00 2.510001e-03 5.952499e-04 2.040249e-03 -6.000000e+00 1.982721e-03 284.78 -2.00 20.00 -2.00 318.44 0.00e+00 3.058 0.000 302.00 328.00 3 3.2312e+00 6.5192e-03 3.7354e-02 -6.0000e+00 1.1020e-01 -8.8291e-03 7.5694e-03 2.2272e-02 -6.0000e+00 1.1916e-01 -1.1312e-02 5.6127e-03 1.1420e-02 -6.0000e+00 7.1138e-02 -1.9969e-03 2.9539e-03 3.4632e-03 -6.0000e+00 3.0616e-02 6.1871e-04 7.3478e-04 1.3798e-04 4.5586e-05 -6.0000e+00 2.2034e-03 -5.5094e-03 0.0000e+00 12 9 9 12 1 1 1.58 22.81 0.23 -0.00551 0.00001 7 13 1 5 0 884.140 26.21 20.00 22.81 16.53 22.0 959.03 -35386 -33831 -20636 -13038 -15255 -27960 1380 -22755 -4010 -26252 -35457 -9865 -16115 4240 1032 1331 -3617 -3818 -3454 4384 -1174 1203 -3866 -4069 -211 -3058 -5438 -8127 6842 -2592 -279 -2339 -5949 -4186 -9703 -1241 -5976 1984 -2618 1898 -661 217 -653 -1840 3687 1647 3692 869 1698 -154 61 2571 1337 2319 2741 1414 856 705 -770 914 456 2631 4112 2909 562 -785 -829 -1678 2790 1354 2022 966 649 33 -1625 -1666 -3289 -3428 -3008 -2959 -2622 -2286 -1796 -1667 478 413 1654 2047 1578 859 419 -2533 -3282 -1692 -262 78 156 1757 704 -813 -1681 -2694 -1001 -414 -921 -1646 -568 -403 1160 1760 1512 1411 719 306 -336 -774 -696 290 830 405 711 367 1657 662 722 -572 -1030 188 -241 -951 -1110 -1404 -853 -207 18 -39 1193 1181 673 154 -504 -1276 -1197 -1243 -676 -375 -416 -854 34 -811 -130 -1108 -1702 -405 -838 217 64 92 -286 -322 -307 375 -108 109 -381 -429 -23 -349 -627 -931 725 -288 -34 -328 -941 -659 -1567 -187 -1056 388 -641 508 -199 68 -214 -620 1190 546 1200 291 574 -55 24 1058 598 1081 1220 656 405 331 -362 425 224 1388 2347 1783 352 -473 -479 -1005 1768 974 1555 716 511 24 -1138 -1058 -1985 -2092 -2013 -2267 -2105 -2014 -1687 -1659 497 427 1775 2225 1698 889 434 -2489 -3096 -1613 -270 84 189 2295 909 -1040 -2139 -3189 -1136 -487 -1165 -2221 -747 -560 1710 2785 2378 2243 1112 473 -490 -1097 -1002 435 1318 632 1176 593 2556 994 1037 -795 -1502 266 -374 -1610 -1866 -2448 -1540 -391 33 -77 2375 2376 1352 301 -946 -2462 SS 20231010T131030.1Z 8683.548960 237 1 12.27 2 67.71 121.64 27.98 156.44 0.00 1 0.00 1 0 25 4.194e-02 1.152e-02 3.627e-02 4.861e-03 3.378465e-01 2.547033e-03 4.118575e-03 -6.000000e+00 2.491758e-02 226.49 -2.00 3.51 -2.00 318.80 0.00e+00 1.905490e-03 5.689665e-04 1.219800e-03 -6.000000e+00 1.109673e-03 284.78 -2.00 20.00 -2.00 318.06 0.00e+00 2.614 0.000 302.00 328.00 3 4.2215e+00 6.9645e-03 3.1525e-02 -6.0000e+00 6.1660e-02 -1.5225e-02 7.9975e-03 1.7941e-02 -6.0000e+00 6.6676e-02 1.1745e-02 5.5827e-03 9.1539e-03 -6.0000e+00 3.9806e-02 -1.2557e-02 2.9241e-03 2.8106e-03 -6.0000e+00 1.7127e-02 3.8099e-04 4.2334e-04 1.5216e-04 3.3441e-05 -6.0000e+00 1.2332e-03 -3.7535e-03 0.0000e+00 12 9 9 12 1 1 99.54 22.83 0.37 -0.00375 -0.00057 6 6 1 5 0 1751.530 26.21 20.00 22.83 18.64 22.0 972.14 360 1786 368 -7905 -12727 -16042 -4210 -11975 -16399 -10981 -28770 -4150 -7079 2082 123 -4363 2255 -316 6864 1642 -2165 490 1956 -4418 -473 -419 -3322 -2747 -1358 1372 -2164 4160 -682 -2029 -5577 -4042 -4796 -885 788 -1713 558 -1132 2132 -1032 1879 1104 542 -271 -2277 3687 235 415 -135 620 450 727 -157 -191 532 -1309 2914 3671 2550 2010 360 -1097 -1122 -566 3179 2284 1145 1947 1675 1271 -904 -2493 -3179 -2801 -2467 -3725 -2348 -2387 -2172 -2005 -642 1491 965 1838 1568 1646 565 -502 -1971 -424 -164 -807 226 1388 686 -683 -1461 -2249 -832 -686 -1549 -1813 -798 14 83 1575 917 662 335 -212 -471 -673 69 865 1407 109 875 718 1157 518 428 -419 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