File name: Pandora55s1_QueensNY_20211210_L2Fit_fout2c19d20211111p1-8.txt File generation date: 20250606T105034.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c19p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v19d20211111.txt Level 1 file used: Pandora55s1_QueensNY_20211210_L1_smca1c19d20211111p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20211210 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0379 305.1778 305.3178 305.4578 305.5977 305.7376 305.8776 306.0175 306.1574 306.2973 306.4372 306.5770 306.7169 306.8567 306.9966 307.1364 307.2762 307.4160 307.5558 307.6956 307.8354 307.9752 308.1149 308.2547 308.3944 308.5341 308.6738 308.8135 308.9532 309.0929 309.2326 309.3723 309.5119 309.6515 309.7912 309.9308 310.0704 310.2100 310.3496 310.4892 310.6287 310.7683 310.9079 311.0474 311.1869 311.3264 311.4659 311.6054 311.7449 311.8844 312.0239 312.1633 312.3028 312.4422 312.5816 312.7210 312.8604 312.9998 313.1392 313.2786 313.4179 313.5573 313.6966 313.8360 313.9753 314.1146 314.2539 314.3932 314.5324 314.6717 314.8110 314.9502 315.0895 315.2287 315.3679 315.5071 315.6463 315.7855 315.9246 316.0638 316.2030 316.3421 316.4812 316.6204 316.7595 316.8986 317.0377 317.1767 317.3158 317.4549 317.5939 317.7329 317.8720 318.0110 318.1500 318.2890 318.4280 318.5669 318.7059 318.8449 318.9838 319.1227 319.2617 319.4006 319.5395 319.6784 319.8172 319.9561 320.0950 320.2338 320.3726 320.5115 320.6503 320.7891 320.9279 321.0667 321.2054 321.3442 321.4830 321.6217 321.7604 321.8991 322.0379 322.1766 322.3152 322.4539 322.5926 322.7312 322.8699 323.0085 323.1471 323.2857 323.4243 323.5629 323.7015 323.8401 323.9786 324.1172 324.2557 324.3943 324.5328 324.6713 324.8098 324.9483 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20211210T143423.2Z 8014.607213 121 1 1.45 2 70.89 147.50 122.48 76.93 0.00 1 0.00 1 0 25 3.940e-02 9.023e-03 2.872e-02 5.209e-03 3.805055e-01 2.656461e-03 4.648742e-03 -6.000000e+00 2.285266e-02 222.90 -2.00 3.51 -2.00 318.10 0.00e+00 -4.718195e-04 4.805701e-04 1.415117e-04 -6.000000e+00 1.012001e-03 277.80 -2.00 20.00 -2.00 317.45 0.00e+00 3.018 0.000 302.00 328.00 3 1.7035e+00 7.0629e-03 3.5633e-02 -6.0000e+00 5.6188e-02 2.1895e-02 8.0101e-03 1.9429e-02 -6.0000e+00 6.1229e-02 -1.1492e-02 5.2156e-03 9.6997e-03 -6.0000e+00 3.6532e-02 -4.0986e-04 2.6896e-03 2.8520e-03 -6.0000e+00 1.5363e-02 3.0529e-03 -2.6293e-03 1.5882e-04 3.6220e-05 -6.0000e+00 1.1752e-03 6.8939e-03 -9.8972e-05 12 9 1 12 9 1 -1370.88 22.70 0.25 0.00689 -0.01286 3 30 1 5 0 311.000 25.58 19.99 22.70 14.26 30.0 990.13 -5395 -2033 10719 -11665 -13599 4822 -17185 25037 -10207 8500 -8741 9201 -4336 -234 5395 -4470 1608 -5187 4802 -2913 1366 -234 5294 -802 3547 1404 -789 -2193 -1908 -1293 -1350 2954 -1578 -2471 -4000 4582 1451 -2371 2068 -1922 -761 -1293 -862 -3357 1032 -1492 77 -2254 -56 1237 137 2001 1057 3082 -291 2558 101 -59 178 1078 1400 1606 718 676 -350 -1287 1302 -127 2386 1130 2229 -1048 -933 194 -352 204 -492 1088 587 807 -981 -103 -1506 -1704 -1899 -2062 -734 -243 -697 -33 521 174 453 1931 1775 1208 766 70 -435 -838 -843 -477 -115 1272 -183 -652 -979 -1025 148 231 350 -144 -170 -263 552 -10 1332 705 933 -8 -842 -1042 -306 -709 -25 119 827 2159 979 -98 -179 439 503 696 344 -797 -280 104 -572 -373 205 -431 -69 -23 -287 -118 578 -756 -842 243 -1099 1213 -764 574 -717 672 -400 -24 609 -618 227 -824 735 -496 230 -41 892 -150 681 288 -167 -460 -386 -257 -280 647 -391 -649 -1062 1112 375 -703 684 -750 -324 -588 -404 -1631 488 -721 37 -1089 -27 591 68 1041 586 1765 -177 1569 64 -38 114 679 884 1047 499 497 -268 -988 949 -92 1719 876 1838 -926 -837 171 -302 165 -377 789 428 621 -830 -93 -1467 -1732 -2006 -2270 -832 -283 -824 -39 593 190 471 1926 1784 1281 870 85 -563 -1120 -1118 -609 -140 1496 -221 -820 -1276 -1375 204 330 522 -222 -266 -405 821 -15 1848 984 1329 -12 -1290 -1611 -467 -1068 -37 171 1151 2924 1348 -141 -271 686 803 1130 575 -1381 -496 187 -1044 -681 370 -763 -119 -39 SS 20211210T151037.4Z 8014.632378 140 1 49.86 2 67.62 155.70 115.90 83.17 0.00 1 0.00 1 0 25 1.109e-01 1.308e-02 2.134e-02 3.260e-03 3.303923e-01 1.657946e-03 3.918092e-03 -6.000000e+00 6.458380e-02 222.90 -2.00 3.51 -2.00 318.43 0.00e+00 7.061498e-04 3.295350e-04 1.610828e-04 -6.000000e+00 2.852594e-03 277.79 -2.00 20.00 -2.00 317.79 0.00e+00 2.605 0.000 302.00 328.00 3 4.6191e+00 4.4435e-03 3.0718e-02 -6.0000e+00 1.5881e-01 4.4039e-02 5.0725e-03 1.6736e-02 -6.0000e+00 1.7281e-01 9.1248e-04 3.3707e-03 8.3315e-03 -6.0000e+00 1.0313e-01 -6.3816e-03 1.7365e-03 2.5910e-03 -6.0000e+00 4.3540e-02 2.5773e-04 1.1405e-03 1.0224e-04 3.0747e-05 -6.0000e+00 3.3045e-03 -6.2340e-03 4.5284e-04 12 8 8 10 0 0 99.99 22.69 0.38 -0.00623 0.00234 65 12 1 5 0 766.900 25.58 19.99 22.69 14.98 30.2 994.96 -14882 8871 98017 -39634 23978 2765 -8436 26153 17525 -7503 -17929 -1012 -17435 -20870 21599 914 -16072 90 14143 15149 6923 879 1885 -6490 -326 -4353 18799 -3733 -1773 -15117 4491 2907 3058 -11531 2834 16620 -1551 -2724 3144 1924 -3474 1838 -5499 -1052 -1686 4414 -4136 2219 851 3168 -528 -1806 -1671 3817 3759 150 3285 -189 3505 282 2496 3900 1206 -1561 959 -1646 1350 -39 927 1455 -1333 -76 655 -1604 1674 -577 2331 3034 606 -927 -1141 -100 -573 -960 -1627 -1553 -1985 -547 -1311 126 -1416 -189 -366 2218 607 1508 -756 673 151 -1370 14 -1022 294 1459 812 -748 -372 -716 484 1044 236 -1214 209 157 -736 254 516 1957 132 181 -1439 -700 -212 1530 -94 -83 416 918 750 -442 421 674 826 601 674 -188 199 28 -674 -567 -761 -101 -394 86 -875 472 2445 -3359 1069 141 -489 1219 980 -562 -1520 -76 -1676 -2380 1933 111 -2441 12 1799 1988 1008 137 294 -1139 -57 -832 2959 -704 -316 -2967 766 545 628 -2846 613 3089 -350 -696 892 641 -1354 733 -2432 -457 -743 1855 -1859 936 361 1328 -237 -868 -856 1968 2023 85 1873 -112 1999 163 1427 2299 778 -1106 691 -1201 915 -26 613 1036 -1060 -63 557 -1379 1343 -442 1608 1953 396 -654 -891 -85 -529 -937 -1671 -1677 -2264 -641 -1571 149 -1636 -205 -370 2096 582 1520 -841 807 195 -1862 18 -1302 350 1670 959 -935 -486 -973 677 1519 364 -1968 339 250 -1125 366 714 2679 188 271 -2260 -1111 -332 2317 -140 -119 577 1231 1019 -635 637 1061 1335 992 1148 -334 366 52 -1285 -1086 -1437 -186 -702 151 SS 20211210T155012.4Z 8014.659866 162 1 48.56 2 65.12 165.26 108.61 89.49 0.00 1 0.00 1 0 25 4.438e-01 8.341e-02 2.207e-02 3.822e-03 2.830960e-01 1.930554e-03 3.085295e-03 -6.000000e+00 2.604307e-01 222.90 -2.00 3.51 -2.00 317.51 0.00e+00 3.027744e-02 3.057443e-04 9.732538e-04 -6.000000e+00 1.146207e-02 277.79 -2.00 20.00 -2.00 316.94 0.00e+00 2.361 0.000 302.00 328.00 3 5.2710e+00 5.0511e-03 3.1958e-02 -6.0000e+00 6.4055e-01 2.9962e-01 5.6675e-03 3.9819e-02 -6.0000e+00 6.9554e-01 -3.9129e-01 3.3198e-03 1.2215e-02 -6.0000e+00 4.1477e-01 2.0766e-01 1.6681e-03 2.2125e-02 -6.0000e+00 1.7749e-01 1.5995e-04 9.3395e-03 1.1420e-04 2.0702e-04 -6.0000e+00 1.3280e-02 -2.2008e-02 1.9213e-03 12 9 8 11 8 0 99.97 22.70 0.82 -0.02201 0.04817 13 2 1 5 0 3735.000 25.58 19.99 22.70 15.46 30.2 996.62 900000 145448 284432 94160 152067 153854 101326 135146 69609 46617 12360 31340 11389 34493 88020 67119 54806 -90515 100046 83119 85431 61313 62699 31483 24906 5245 35322 3693 8394 14562 27671 40057 39051 28466 32232 53442 24900 16512 22838 8328 -2311 1108 -5877 -116 5336 15142 10436 21934 21641 21673 16030 10967 8906 15138 10657 583 191 -8197 -7402 -7545 -2844 3951 2389 635 5830 2060 8182 1501 3826 127 -5035 -4567 -2543 -6432 -2062 -6090 -4264 -2083 -4515 -3479 -3183 714 -2313 -2589 -6305 -4453 -6121 -4072 -4751 -2470 -3147 -3736 -3445 -2594 -3640 -2785 -2818 -222 1424 82 2467 1031 1050 3047 1339 -552 -752 -674 1058 2609 1511 -996 968 77 -1221 -1055 800 3189 1219 2183 621 1082 2454 3877 1161 1572 822 1912 1715 1631 2711 3639 2645 2361 1771 212 539 -768 -1347 -2460 -1963 -3338 -2453 -3411 900000 10524 5988 11495 9793 8410 7888 6931 6184 4763 1618 3437 1732 5348 10436 11382 11522 -69945 15387 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