File name: Pandora64s1_NewHavenCT_20240805_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240806T075800.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240805_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20240805 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20240805T103648.8Z 8983.442232 60 1 48.25 2 82.81 73.97 92.40 66.22 0.00 1 0.00 1 0 33 5.391e-01 4.533e-02 2.646e-01 1.806e-02 8.695465e-01 1.082055e-02 1.139428e-02 -6.000000e+00 3.310916e-01 232.18 -2.00 3.52 -2.00 321.67 0.00e+00 8.566260e-03 4.759705e-03 1.120833e-02 -6.000000e+00 1.485045e-02 289.82 -2.00 20.00 -2.00 321.04 0.00e+00 7.348 0.007 302.00 328.00 3 2.1741e+00 3.7376e-02 1.0396e-01 -6.0000e+00 8.2889e-01 1.4723e+00 4.5978e-02 8.6698e-02 -6.0000e+00 8.9234e-01 -1.6188e+00 2.9529e-02 3.4835e-02 -6.0000e+00 5.3199e-01 6.0879e-01 1.4559e-02 6.4925e-03 -6.0000e+00 2.2577e-01 1.2425e-05 -4.0967e-03 5.0574e-04 2.1290e-04 -6.0000e+00 1.6066e-02 1.6937e-03 -1.9139e-04 12 8 8 10 0 0 44.44 21.62 0.32 0.00169 -0.02909 13 3 1 5 0 3710.960 26.11 20.01 21.62 29.09 40.4 1043.11 533 41262 3201 30733 140990 -45869 -48378 -71279 285916 -27673 -90777 19481 -28358 -24344 68562 56625 -2157 96985 -8021 101832 200801 900000 900000 97888 -23976 -4176 18281 17653 7221 -98983 -15870 65309 114261 75552 46139 198412 68773 5666 19171 36363 32290 106895 69563 -31144 18672 53208 63647 64156 47663 -45766 116244 61912 167644 30274 54570 15626 23854 16376 47273 19677 17152 30281 31467 44836 60748 -1055 11711 27482 21168 4675 23939 20156 2134 -1313 8527 -9157 52486 3581 -8944 11312 -9017 -4280 -1127 65 6081 -4619 7240 -3373 6440 967 -11696 -4088 -19259 -4434 -7469 2614 -3173 -940 -235 -6490 -5252 -2394 -8874 -52 -6693 -7555 -8684 10843 -931 3009 3133 507 980 3565 -1002 -1895 1619 -434 -2156 3840 -413 4510 3057 4900 6238 74 -3402 4603 799 -1642 -1452 -2501 -954 105 1026 333 999 1307 1303 -1235 -2546 -1550 31 1709 186 1145 2481 -2802 -2905 -5313 5032 -1289 -7455 645 -1879 -1890 2484 2579 -185 3414 -747 3248 3534 900000 900000 2692 -2035 -281 985 893 405 -15968 -1413 3089 3645 3490 2588 3492 3253 534 1806 3200 3109 5291 5050 -5707 2049 4389 4760 4940 4243 -10471 6521 6089 6454 4576 6553 2782 3852 2713 5432 2913 2699 4608 5310 7334 8679 -274 2752 5775 5281 1449 6790 5947 672 -390 2163 -2503 7607 905 -3000 3689 -3932 -2021 -556 34 3115 -2746 3943 -2051 3482 523 -6712 -2098 -11581 -2519 -5090 1891 -2671 -883 -233 -6679 -4957 -2074 -7618 -42 -6158 -6935 -8695 10304 -1065 3770 4368 765 1485 5158 -1468 -2759 2349 -672 -3558 6011 -651 6442 4293 6509 7950 99 -4664 6450 1347 -3048 -2980 -5575 -2240 261 2700 912 2746 3610 3515 -3206 -6260 -3541 SS 20240805T104729.5Z 8983.449647 63 1 48.56 2 80.88 75.66 90.63 67.96 0.00 1 0.00 1 0 17 4.413e-01 2.158e-02 1.592e-01 6.006e-03 7.681176e-01 3.500777e-03 9.844774e-03 -6.000000e+00 2.710810e-01 232.18 -2.00 3.52 -2.00 321.49 0.00e+00 1.258939e-02 1.837293e-03 6.800177e-03 -6.000000e+00 1.212059e-02 289.82 -2.00 20.00 -2.00 320.90 0.00e+00 5.977 0.004 302.00 328.00 3 2.2151e+00 1.2714e-02 7.7388e-02 -6.0000e+00 6.7887e-01 5.6184e-01 1.6490e-02 5.0789e-02 -6.0000e+00 7.3077e-01 -7.6200e-01 1.3663e-02 2.8032e-02 -6.0000e+00 4.3559e-01 3.1265e-01 6.5083e-03 1.0329e-02 -6.0000e+00 1.8471e-01 6.2150e-05 -1.7551e-03 1.7172e-04 2.4340e-04 -6.0000e+00 1.3142e-02 -1.8055e-03 -6.7405e-05 12 8 8 10 0 0 -10.88 21.66 0.23 -0.00181 -0.01499 43 10 1 5 0 1129.250 26.11 19.97 21.66 29.88 40.2 1046.99 -147749 -69248 -149274 -92990 -194923 -119018 -142285 -114777 -59118 -80874 -160418 -40874 -116079 -75929 -44789 -7978 -65077 69195 -34105 31644 -33331 122568 51262 2319 -9179 32151 -43715 -1331 -34698 -82795 1831 28521 3972 15165 11391 -18572 -3984 10713 39412 20198 50573 26410 36923 -13464 13695 20910 44704 14347 29712 -13080 35331 5552 47915 4928 27176 10579 18475 2711 23990 2280 16502 4326 17492 11846 24044 3195 10589 9841 14359 6626 8306 2752 3897 2602 761 -5502 8543 -8572 1573 1197 452 -3949 -1106 -3966 -1087 -1146 982 -1758 1294 -55 -2329 -1105 -3808 -2592 -3070 -62 -1855 358 -423 -1276 -2721 -1948 -5090 -766 -1334 -2623 -2269 1207 -2162 168 -384 114 -526 943 -375 -304 -132 745 490 2169 266 1644 1403 1994 2123 2096 -1082 1225 1058 485 504 -522 -634 172 726 -6 -517 89 407 -330 -570 -1757 -4038 -946 -4662 -1498 -7200 -2149 -3264 -2072 -635 -1105 -5089 -479 -3795 -2149 -1158 -167 -2668 884 -1165 571 -1122 914 791 54 -242 616 -1621 -32 -1219 -5495 64 891 180 622 456 -1033 -212 570 1846 1301 2591 1817 2397 -1359 1170 1714 2989 1372 2581 -1750 3535 758 5004 781 3538 1658 2680 448 3123 373 2498 832 3349 2674 4928 796 2528 2491 3920 2197 2866 944 1361 853 230 -1619 2163 -2765 539 455 200 -2075 -608 -2377 -678 -752 656 -1220 860 -36 -1432 -646 -2295 -1685 -2323 -50 -1750 375 -471 -1395 -2809 -1798 -4571 -686 -1283 -2674 -2488 1393 -2894 232 -587 180 -838 1435 -556 -444 -199 1168 810 3565 433 2525 2100 2850 3142 3027 -1609 1842 1823 940 1008 -1124 -1452 417 1766 -14 -1331 230 1025 -790 -1366 -4033 SS 20240805T105734.5Z 8983.456649 68 1 48.59 2 79.04 77.24 88.94 69.59 0.00 1 0.00 1 0 25 3.759e-01 1.936e-02 1.066e-01 3.034e-03 6.635677e-01 1.719930e-03 8.450389e-03 -6.000000e+00 2.309584e-01 232.18 -2.00 3.52 -2.00 320.96 0.00e+00 1.042386e-02 7.972575e-04 4.884132e-03 -6.000000e+00 1.032590e-02 289.82 -2.00 20.00 -2.00 320.31 0.00e+00 5.064 0.002 302.00 328.00 3 2.2139e+00 5.7496e-03 6.4474e-02 -6.0000e+00 5.7839e-01 2.0148e-01 7.4541e-03 4.1234e-02 -6.0000e+00 6.2257e-01 -3.0695e-01 6.5994e-03 2.3649e-02 -6.0000e+00 3.7110e-01 1.2756e-01 3.2095e-03 9.0763e-03 -6.0000e+00 1.5740e-01 1.7593e-04 -1.3505e-03 8.8034e-05 1.7322e-04 -6.0000e+00 1.1196e-02 -2.6247e-03 -5.4939e-05 12 8 8 10 0 0 10.84 21.64 0.25 -0.00262 -0.01277 74 18 1 5 0 656.480 26.11 20.00 21.64 30.46 40.4 1050.14 -160323 -45895 -121247 -51454 -274297 -50915 -132686 -60837 -79890 -26363 -122919 -8207 -64755 -55981 -27648 22277 -1651 37605 2262 47994 16395 47153 30020 -2710 5822 -3197 -8745 -12321 3669 -39461 13065 1998 28283 11424 27979 -1123 24123 6266 22513 3388 26193 3389 17093 -670 14024 7250 25904 3399 13192 -1230 15992 15298 17365 5224 10352 2471 6427 3884 8615 2383 6171 3231 9062 6899 10010 2440 4677 2152 3825 3056 3149 2122 524 -264 -778 -2386 848 -3206 -1688 219 -1620 -1258 -2376 -2287 -1257 -1521 -553 -808 648 1068 -997 -125 -2953 -1490 -2279 -368 -1410 657 266 -286 -1329 -1604 -3087 -473 -932 -2144 -1471 -381 -936 565 294 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