File name: Pandora55s1_QueensNY_20230616_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114531.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230616_L1_smca1c18d20230426p1-8.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: 20230616 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 20230616T123208.5Z 8567.522320 160 1 48.73 2 57.18 86.16 41.30 100.31 0.00 1 0.00 1 0 17 1.273e-01 4.305e-02 6.566e-03 2.180e-03 2.800549e-01 1.149912e-03 3.310195e-03 -6.000000e+00 7.695610e-02 232.91 -2.00 3.51 -2.00 317.01 0.00e+00 8.667913e-03 1.552199e-04 3.370288e-04 -6.000000e+00 3.400149e-03 286.82 -2.00 20.00 -2.00 316.23 0.00e+00 1.839 0.000 302.00 328.00 3 5.1190e+00 3.0434e-03 2.4190e-02 -6.0000e+00 1.9317e-01 9.3818e-02 3.3917e-03 1.8409e-02 -6.0000e+00 2.0836e-01 -1.0270e-01 1.9669e-03 7.7686e-03 -6.0000e+00 1.2402e-01 4.9961e-02 9.4001e-04 6.9036e-03 -6.0000e+00 5.1773e-02 3.3557e-04 -1.1084e-03 6.6745e-05 6.1788e-05 -6.0000e+00 3.8059e-03 5.8099e-03 0.0000e+00 12 9 8 11 8 0 -46.42 22.67 0.28 0.00581 -0.00252 13 2 1 5 0 3747.420 26.00 20.02 22.67 33.35 35.2 1100.00 19081 20168 71435 14214 31918 37730 25264 38653 18524 9112 -307 1705 2901 12440 25399 16845 11482 -79658 27941 24522 24077 13652 15147 6208 5741 -362 10573 -1032 1265 3114 8467 12087 9537 5088 8677 14515 3895 2547 4287 2175 -3216 285 -4216 -1999 408 4452 829 5735 5039 6370 5060 2310 2173 4948 3699 295 1442 -2244 -1142 -1658 -65 1812 890 486 1214 -782 1933 1050 1688 1216 -1326 -561 -194 -2788 -523 -2509 -1144 212 -166 -1540 -1381 424 -1544 -1618 -2892 -1661 -2364 -1478 -2067 -959 -1087 -777 -390 -51 -264 -128 -155 339 95 183 701 20 430 938 554 -1005 -258 -875 -135 1104 425 -275 460 258 -220 558 658 1424 594 533 -717 7 1023 1095 469 64 340 893 707 211 1482 710 1036 663 586 6 299 91 -597 -1194 -699 -982 -798 -1109 2337 2747 6403 2096 3711 3815 2792 3939 2406 1326 -49 268 495 2250 4740 3799 2912 -43792 6667 6241 6240 3866 4178 1842 1737 -117 3109 -327 382 918 2473 3684 3210 1857 3047 4695 1388 994 1859 1077 -1798 164 -2573 -1233 250 2680 512 3393 2966 3705 3019 1465 1444 3342 2587 214 1049 -1671 -840 -1215 -48 1361 713 412 1057 -685 1589 832 1328 1012 -1202 -532 -187 -2718 -488 -2260 -955 166 -128 -1255 -1217 398 -1559 -1699 -3176 -1884 -2802 -1800 -2571 -1184 -1310 -895 -422 -53 -269 -136 -176 411 122 242 921 26 520 1101 664 -1264 -336 -1176 -186 1560 626 -419 703 389 -319 769 877 1886 810 756 -1058 10 1514 1595 669 89 459 1169 927 287 2087 1038 1540 1000 906 10 490 152 -1014 -2044 -1182 -1632 -1293 -1779 SS 20230616T124358.7Z 8567.530541 163 1 50.23 2 54.94 88.02 39.14 102.66 0.00 1 0.00 1 0 17 2.454e-02 8.872e-03 4.602e-03 1.833e-03 2.666199e-01 9.725054e-04 3.166939e-03 -6.000000e+00 1.483713e-02 232.91 -2.00 3.51 -2.00 316.73 0.00e+00 -5.983965e-04 1.215216e-04 6.873697e-05 -6.000000e+00 6.553026e-04 286.82 -2.00 20.00 -2.00 315.94 0.00e+00 1.736 0.000 302.00 328.00 3 5.0178e+00 2.5664e-03 2.2419e-02 -6.0000e+00 3.7243e-02 9.9705e-03 2.8617e-03 1.3944e-02 -6.0000e+00 4.0166e-02 -5.7217e-03 1.6617e-03 6.7452e-03 -6.0000e+00 2.3909e-02 1.6931e-03 7.7552e-04 1.8614e-03 -6.0000e+00 9.9859e-03 4.4159e-04 -3.3636e-04 5.6550e-05 2.3674e-05 -6.0000e+00 7.3335e-04 2.8584e-03 0.0000e+00 11 9 0 11 32 0 98.24 22.68 0.46 0.00286 0.00033 15 3 1 5 0 3346.100 26.00 20.02 22.68 34.03 35.0 1100.00 -9843 7763 -3612 -12389 -1642 4330 -2173 -1528 1193 -1181 -5491 -4029 -3285 3757 7375 -1317 -4232 -9698 7023 3347 4425 2297 2670 3719 290 545 -2346 -989 -527 669 -256 2525 11 -2895 -733 3820 -1610 -942 1350 -526 -1496 555 -2204 -1231 -425 1496 -2140 1401 -241 1216 97 -682 -628 2186 1358 703 2054 744 1746 495 1399 1893 1534 -605 297 -2069 955 -753 1044 1140 -734 218 57 -845 600 -604 341 1580 2 -1202 -909 -51 -1279 -841 -2049 -761 -1199 -364 -1083 -215 -85 -165 374 724 634 729 443 637 -510 -332 -285 -559 -75 1122 507 -685 -198 -560 262 220 54 -189 81 -190 -178 14 617 500 496 -29 -1028 -274 288 494 442 -167 96 972 481 433 963 388 541 387 437 -179 116 146 -177 -707 -425 -437 -324 -494 -1453 1081 -576 -2084 -234 550 -298 -227 192 -207 -1018 -751 -648 778 1654 -348 -1209 -3000 1954 991 1329 711 831 1185 100 195 -867 -353 -179 217 -84 859 4 -1142 -283 1383 -621 -396 636 -285 -890 344 -1429 -805 -277 963 -1399 881 -151 752 61 -453 -437 1551 1001 530 1564 576 1337 379 1069 1483 1265 -531 265 -1860 805 -617 844 974 -680 211 57 -836 573 -555 292 1267 2 -1001 -813 -49 -1304 -889 -2263 -868 -1430 -445 -1350 -266 -102 -191 408 754 654 776 502 768 -653 -438 -373 -707 -91 1313 608 -859 -257 -748 357 309 78 -284 122 -283 -254 20 813 657 667 -41 -1498 -403 422 712 622 -229 129 1258 625 579 1338 558 791 573 661 -280 186 239 -294 -1182 -704 -711 -516 -778 SS 20230616T130502.0Z 8567.545162 173 1 49.54 2 50.96 91.44 35.34 107.25 0.00 1 0.00 1 0 17 1.949e-02 7.993e-03 3.219e-03 1.525e-03 2.435843e-01 8.113610e-04 2.920896e-03 -6.000000e+00 1.178361e-02 232.91 -2.00 3.51 -2.00 316.28 0.00e+00 -1.769471e-05 9.140777e-05 4.624929e-05 -6.000000e+00 5.205271e-04 286.82 -2.00 20.00 -2.00 315.51 0.00e+00 1.584 0.000 302.00 328.00 3 4.8532e+00 2.1283e-03 2.0489e-02 -6.0000e+00 2.9578e-02 1.4188e-02 2.3671e-03 1.2764e-02 -6.0000e+00 3.1901e-02 -4.2247e-03 1.3604e-03 6.1795e-03 -6.0000e+00 1.8989e-02 -5.2985e-04 6.1984e-04 1.6785e-03 -6.0000e+00 7.9295e-03 6.2589e-04 -4.7365e-04 4.6856e-05 2.2514e-05 -6.0000e+00 5.8256e-04 4.0830e-03 0.0000e+00 11 9 0 11 32 0 68.44 22.67 0.18 0.00408 0.00052 20 4 1 5 0 2476.610 26.00 19.97 22.67 33.64 35.5 1100.00 -4943 -6950 8351 -8852 -2518 111 -3845 6505 -183 -859 -4210 -2144 -3577 4576 3806 99 -3415 1528 3825 2628 3377 -339 2510 -2021 443 -858 4016 -1293 -450 -791 58 1612 289 -3307 -1196 2481 -1829 -1001 802 365 -1842 -297 -1793 -1185 -1056 866 -1756 49 -344 307 365 25 -12 1645 1435 613 1762 674 1103 898 1227 1569 1168 629 -157 -1301 381 -158 1185 1130 -30 185 97 -1078 225 -456 287 730 579 -840 -1108 32 -1555 -1151 -1408 -858 -1219 -663 -649 -273 -129 -86 392 905 960 1156 499 363 -346 -431 -349 -555 72 982 320 -786 -605 -438 147 668 226 -389 25 -184 -310 216 739 909 457 -244 -716 -409 109 381 190 15 14 1201 817 182 538 230 612 263 322 -207 -117 143 -193 -758 -264 -509 -178 -120 -896 -1401 1528 -1824 -459 19 -674 1129 -37 -185 -948 -480 -859 1133 1053 31 -1146 508 1283 916 1193 -124 906 -777 175 -353 1608 -526 -174 -296 22 625 120 -1460 -516 1012 -785 -465 417 214 -1187 -199 -1248 -832 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