File name: Pandora64s1_NewHavenCT_20231016_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231018T015843.6Z 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 v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231016_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: 20231016 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 20231016T120957.7Z 8689.506918 69 1 48.68 2 79.04 112.32 99.28 105.83 0.00 1 0.00 1 0 33 4.510e-01 4.218e-02 1.371e-01 7.392e-03 5.943065e-01 4.053429e-03 9.907147e-03 -6.000000e+00 2.703102e-01 225.81 -2.00 3.52 -2.00 320.74 0.00e+00 4.095713e-02 1.580747e-03 7.354044e-03 -6.000000e+00 1.208393e-02 283.91 -2.00 20.00 -2.00 320.14 0.00e+00 5.070 0.002 302.00 328.00 3 3.4235e+00 1.2643e-02 6.0214e-02 -6.0000e+00 6.6800e-01 7.2511e-01 1.4718e-02 3.1840e-02 -6.0000e+00 7.2349e-01 -8.5344e-01 1.0412e-02 2.7921e-02 -6.0000e+00 4.3194e-01 3.7771e-01 5.3643e-03 2.7557e-02 -6.0000e+00 1.8422e-01 4.4621e-05 -4.4469e-03 2.1348e-04 5.2149e-04 -6.0000e+00 1.3408e-02 6.5175e-03 -9.0201e-05 12 8 8 10 0 0 99.96 20.96 -0.26 0.00652 -0.02690 30 7 1 5 0 1622.430 25.58 20.00 20.96 16.48 37.5 976.94 83580 105038 60124 155094 -158898 88819 27937 -23299 49480 109826 -53300 87927 33915 43175 58614 114046 78645 124788 70982 116483 76904 166510 154700 55519 18210 53389 26197 36834 40025 -21497 32667 73724 60885 66820 50525 45168 54917 25626 36845 19599 33724 19110 26505 15614 30243 42408 45551 34112 35899 11171 40314 32425 33686 17509 21009 2587 10986 -6988 13336 7147 4835 11015 13573 16483 21670 10235 11999 7201 5915 5383 2431 877 -995 -5549 -6276 -4930 3066 -8258 -3482 2085 -1852 -4298 -4795 -6929 -5106 -6114 -3785 -2993 -1334 -856 -4389 -3555 -8490 -7356 -5743 -2849 -4117 542 1007 899 139 -229 -3855 -2506 -3333 -3538 -2496 463 -1418 1351 862 282 -24 282 -498 -1470 936 415 1310 2956 2722 4010 3603 3359 3555 3251 -902 1673 2121 1050 1601 442 265 5 -440 -945 -1303 -458 340 -1090 -1428 -2337 1995 2271 1988 2156 -29948 1579 717 -820 856 1425 -2034 1222 1008 1538 2336 3339 3434 3991 3762 4145 3586 3200 2973 2326 926 1924 1155 1609 1782 -2031 2410 4220 4466 4618 3727 3447 3958 2504 3496 2370 3686 2540 3534 2334 4384 5790 6311 5559 5624 2352 6851 6347 6772 4251 4790 685 2588 -1901 2939 1757 1335 3255 4433 5500 7365 3570 4306 2606 2368 2404 1168 430 -474 -2567 -2653 -1975 1106 -3348 -1569 1052 -1108 -2938 -3329 -5137 -3955 -5023 -3166 -2526 -1100 -670 -3309 -2629 -6401 -5534 -4855 -2726 -4604 627 1224 1066 162 -241 -3955 -2619 -3751 -4166 -2980 579 -1993 2047 1358 458 -39 450 -762 -2222 1424 665 2111 4792 4534 6350 5556 4968 5061 4507 -1281 2499 3544 1869 3065 897 541 10 -1009 -2244 -3138 -1107 801 -2474 -3083 -5039 SS 20231016T121604.8Z 8689.511167 72 1 47.98 2 77.99 113.42 98.23 106.78 0.00 1 0.00 1 0 33 3.057e-01 3.219e-02 1.224e-01 5.129e-03 5.575462e-01 2.790713e-03 8.139757e-03 -6.000000e+00 1.834432e-01 225.81 -2.00 3.52 -2.00 320.35 0.00e+00 2.154086e-02 1.007387e-03 5.429466e-03 -6.000000e+00 8.191195e-03 283.91 -2.00 20.00 -2.00 319.73 0.00e+00 4.658 0.002 302.00 328.00 3 3.5743e+00 8.4025e-03 5.6317e-02 -6.0000e+00 4.5335e-01 4.0567e-01 1.0025e-02 3.0374e-02 -6.0000e+00 4.9076e-01 -4.5931e-01 7.8160e-03 2.4686e-02 -6.0000e+00 2.9300e-01 2.0209e-01 3.9883e-03 1.6590e-02 -6.0000e+00 1.2518e-01 6.7096e-05 -1.8751e-03 1.5145e-04 2.8122e-04 -6.0000e+00 9.0876e-03 -2.5275e-03 -5.3186e-05 12 8 8 10 0 0 88.56 20.96 -0.01 -0.00253 -0.01662 21 5 1 5 0 2284.510 25.58 19.99 20.96 16.49 37.5 977.10 13048 85515 22744 16365 -202328 -8644 -12891 -44434 150127 -21445 10371 -2355 19693 -6678 47129 47612 47508 71868 41095 59569 65264 76329 81418 53394 16230 13066 -283 9652 15633 -19918 24586 33578 41462 38563 24010 28744 32621 24305 19707 10986 17679 10760 12525 6804 11176 22916 28652 17315 16957 5344 23933 13469 15531 12035 9041 4057 316 -2018 3553 654 2685 6297 8574 13300 11800 2343 3557 5670 1739 3019 1097 2218 -2136 -1711 -4128 -4726 -2216 -3542 -4531 -909 -2021 -3724 -3743 -4448 -3303 -3769 -1608 -1915 18 720 -1955 -1457 -7085 -4066 -2036 -555 -1829 910 1342 88 144 -1775 -3609 -1718 -969 -2843 -1500 649 -100 495 1625 578 -10 590 -1001 -739 778 344 1260 1873 1301 1748 2992 2628 2308 2005 -1196 1322 1133 877 311 14 -519 -688 831 -775 -890 -362 202 -432 -985 -1744 257 962 468 348 -27169 -195 -290 -1281 751 -516 185 -57 511 -277 1428 1681 1845 2389 1934 2383 2400 2380 2494 1963 840 696 -17 531 860 -1704 1633 2332 2995 2882 1935 2252 2674 2445 2376 1524 2443 1682 2044 1218 1992 3776 4585 3222 3272 1227 4989 3357 4015 3380 2625 1239 99 -635 1046 204 886 2246 3179 5148 4671 981 1471 2349 831 1588 620 1255 -1214 -907 -2040 -2143 -952 -1610 -2392 -541 -1317 -2755 -2944 -3710 -2915 -3358 -1460 -1771 16 638 -1658 -1160 -5801 -3418 -1896 -559 -2124 1104 1694 109 173 -1983 -3904 -1904 -1139 -3552 -1893 860 -147 759 2649 969 -17 922 -1507 -1085 1158 537 2066 3121 2142 2768 4547 3996 3399 2867 -1736 2016 1849 1570 578 26 -1025 -1434 1813 -1706 -1987 -813 443 -944 -2062 -3509 SS 20231016T122129.0Z 8689.514919 75 1 47.25 2 77.06 114.40 97.31 107.63 0.00 1 0.00 1 0 25 3.037e-01 1.722e-02 2.119e-01 6.425e-03 5.490058e-01 3.499640e-03 6.642214e-03 -6.000000e+00 1.821216e-01 225.81 -2.00 3.52 -2.00 320.19 0.00e+00 2.730201e-03 1.251598e-03 2.211322e-03 -6.000000e+00 8.134854e-03 283.91 -2.00 20.00 -2.00 319.55 0.00e+00 4.348 0.001 302.00 328.00 3 4.3187e+00 1.0415e-02 5.2591e-02 -6.0000e+00 4.5008e-01 1.8972e-01 1.2866e-02 3.0891e-02 -6.0000e+00 4.8732e-01 -7.0443e-02 1.1202e-02 1.5808e-02 -6.0000e+00 2.9095e-01 9.0707e-03 5.6842e-03 4.6463e-03 -6.0000e+00 1.2423e-01 4.6032e-05 -1.1467e-03 1.9584e-04 7.0105e-05 -6.0000e+00 9.0256e-03 -9.1293e-04 -1.3808e-04 12 8 8 10 0 0 99.25 20.96 0.02 -0.00091 -0.00953 12 3 1 5 0 3937.150 25.58 20.00 20.96 16.56 37.5 977.64 -33132 -9553 -49511 -12268 -120076 -14511 6566 -140728 138749 104678 -41954 119113 -65844 17915 -7658 26620 -3105 129427 -29297 25773 17702 72842 6198 45202 -27145 40373 389 16260 -25027 -45120 -4609 21371 7445 12455 -13681 35349 -1013 3753 4911 10857 -236 7480 3346 -10598 -6185 1813 4017 -3318 4359 -12130 8997 -350 3097 19 3870 -1495 8374 -2047 5147 -5500 4098 94 3560 3141 9601 -2522 -295 3407 3133 1360 2450 2078 14 -1082 -2618 -3481 7193 -3822 -423 -1564 440 -4190 -1117 -4070 959 -2164 2030 611 2564 1051 -1276 707 -4571 -2966 389 1057 -108 611 1329 -1203 -1630 -1138 -3597 -62 100 -2194 -1766 2450 -249 1323 2177 -212 163 1694 -1013 -471 142 -60 -985 960 -452 261 958 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