File name: Pandora55s1_QueensNY_20240127_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T131236.2Z 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_20240127_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: 20240127 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 20240127T150540.5Z 8792.628941 348 1 5.87 2 65.68 148.03 106.29 307.59 0.00 1 0.00 1 0 17 4.312e-02 8.447e-03 2.000e-02 4.360e-03 3.689112e-01 2.245034e-03 4.328154e-03 -6.000000e+00 2.528800e-02 224.20 -2.00 3.51 -2.00 317.74 0.00e+00 -1.423212e-04 3.683027e-04 1.502215e-04 -6.000000e+00 1.101221e-03 275.30 -2.00 20.00 -2.00 317.15 0.00e+00 2.411 0.000 302.00 328.00 3 3.6312e+00 5.9267e-03 3.0270e-02 -6.0000e+00 6.2420e-02 3.9821e-02 6.6857e-03 1.8430e-02 -6.0000e+00 6.7874e-02 -2.3189e-03 4.2519e-03 9.1924e-03 -6.0000e+00 4.0371e-02 -5.2808e-03 2.1699e-03 2.6770e-03 -6.0000e+00 1.7117e-02 7.8956e-04 1.7263e-03 1.3249e-04 3.1821e-05 -6.0000e+00 1.2935e-03 -1.1773e-02 0.0000e+00 12 9 1 12 9 1 64.49 22.26 0.12 -0.01177 0.00120 3 6 1 5 0 1465.090 26.00 20.00 22.26 13.94 35.5 1032.49 900000 -15376 15453 -14097 -5488 15138 -15207 25865 3803 -1913 -2041 -6169 -6703 -8574 9422 -2402 -5209 -10210 6886 3054 6151 -295 3212 -4024 -685 -1573 4439 -768 -2831 -2037 2877 3297 2024 -2971 -821 1683 228 841 1118 1603 -2618 -640 -1368 -1000 -678 -653 -1195 192 -1028 2823 -530 1151 -597 2859 733 1393 -23 258 1496 941 1778 1284 2807 -1330 -273 -1006 -298 -1177 1241 1652 -48 147 254 189 -686 -153 -803 1213 542 -639 220 -766 -1780 -988 -1070 -842 -880 -1110 -401 -416 382 288 533 1958 1367 693 660 1043 -280 -580 -773 62 240 1349 -742 -530 -821 -1264 115 115 -107 -733 4 -360 -497 -83 998 515 1049 -232 -306 -248 309 329 662 -97 -30 1274 470 275 860 -148 217 397 309 -307 -113 -94 -84 -913 137 -255 -99 -232 900000 -1196 956 -1127 -382 828 -1123 1449 292 -167 -185 -602 -726 -1086 1174 -373 -897 -1940 1184 564 1138 -58 627 -871 -153 -373 1017 -181 -652 -458 641 795 539 -868 -236 463 65 263 403 657 -1223 -313 -696 -516 -352 -340 -622 98 -532 1433 -283 641 -356 1739 471 912 -16 175 1002 627 1181 881 2017 -1038 -219 -809 -231 -891 934 1315 -42 133 235 173 -613 -130 -641 909 406 -506 188 -711 -1768 -1019 -1143 -933 -1015 -1319 -481 -497 444 321 564 1983 1388 738 750 1267 -362 -776 -1029 80 292 1586 -897 -663 -1067 -1691 157 163 -158 -1125 5 -552 -739 -118 1371 707 1469 -339 -460 -376 464 485 955 -137 -41 1701 634 385 1259 -226 338 628 501 -514 -194 -165 -148 -1624 240 -437 -166 -384 SS 20240127T151135.9Z 8792.633055 352 1 50.43 2 65.09 149.44 107.15 308.71 0.00 1 0.00 1 0 25 1.356e-02 6.260e-03 1.355e-03 3.316e-04 3.619100e-01 1.704505e-04 4.366784e-03 -6.000000e+00 7.935838e-03 224.20 -2.00 3.51 -2.00 317.58 0.00e+00 9.292683e-05 2.649711e-05 1.250766e-04 -6.000000e+00 3.453345e-04 275.30 -2.00 20.00 -2.00 316.99 0.00e+00 2.359 0.000 302.00 328.00 3 1.0208e+00 4.4829e-04 2.9782e-02 -6.0000e+00 1.9587e-02 2.8793e-02 5.0459e-04 1.8310e-02 -6.0000e+00 2.1305e-02 -1.1249e-02 3.1378e-04 9.1278e-03 -6.0000e+00 1.2682e-02 1.2837e-04 1.5815e-04 2.6126e-03 -6.0000e+00 5.3294e-03 1.1422e-02 -4.2658e-04 1.0021e-05 3.2969e-05 -6.0000e+00 4.0426e-04 4.8585e-03 0.0000e+00 10 0 0 10 0 0 99.82 22.25 0.22 0.00486 0.00165 698 132 1 5 0 72.240 26.00 20.00 22.25 14.07 35.6 1033.24 -4332 -4563 -3927 -6901 -5550 -3701 -3319 -679 -1917 -2474 -3189 -654 -1079 -296 227 -628 -756 -950 900 413 -211 965 1351 798 679 -134 -548 -950 -13 1277 1266 1726 1302 -1026 -849 84 3 365 455 -554 -1092 -1059 -1184 -1123 -666 -444 -874 -621 -478 531 729 735 970 896 786 779 909 308 699 819 1517 1422 1345 482 -549 10 165 473 1387 852 68 -341 -716 -491 -701 -179 315 674 1350 284 -4 -680 -1532 -1280 -1155 -1120 -808 -594 -508 -652 -161 269 480 1324 1446 1204 890 768 -360 -553 -464 -476 6 791 -57 -796 -411 -740 -107 -47 -127 -375 -264 -127 6 627 883 875 642 -181 -645 -403 -232 -293 151 145 492 1481 990 369 472 -45 283 139 224 -333 -185 147 -423 -459 -210 -243 -198 85 -310 -373 -337 -598 -441 -272 -249 -55 -177 -248 -334 -69 -128 -41 33 -107 -140 -187 184 88 -47 214 303 189 160 -34 -140 -238 -3 315 300 449 376 -323 -267 25 1 119 177 -243 -515 -541 -634 -616 -366 -244 -482 -338 -258 287 409 417 593 585 511 525 629 217 486 559 1031 1011 986 387 -448 8 132 360 1060 681 59 -316 -658 -464 -633 -155 259 510 1002 229 -4 -643 -1541 -1320 -1258 -1248 -918 -708 -618 -788 -186 299 511 1368 1490 1277 1011 939 -472 -739 -613 -611 8 950 -68 -982 -534 -978 -148 -66 -187 -569 -408 -191 8 879 1212 1194 913 -266 -966 -614 -347 -440 218 207 666 1980 1341 517 692 -68 444 218 366 -559 -316 258 -737 -802 -369 -411 -331 137 SS 20240127T151902.5Z 8792.638224 356 1 51.27 2 64.39 151.23 108.23 310.13 0.00 1 0.00 1 0 25 1.252e-02 6.355e-03 7.724e-04 2.086e-04 3.531799e-01 1.072838e-04 4.276205e-03 -6.000000e+00 7.325859e-03 224.20 -2.00 3.51 -2.00 317.43 0.00e+00 -3.731975e-05 1.597791e-05 1.110398e-04 -6.000000e+00 3.188165e-04 275.30 -2.00 20.00 -2.00 316.85 0.00e+00 2.300 0.000 302.00 328.00 3 1.8245e-01 2.8113e-04 2.9047e-02 -6.0000e+00 1.8081e-02 2.4553e-02 3.1598e-04 1.7863e-02 -6.0000e+00 1.9668e-02 -1.2909e-02 1.9363e-04 8.9065e-03 -6.0000e+00 1.1708e-02 1.2379e-03 9.6617e-05 2.5434e-03 -6.0000e+00 4.9193e-03 2.8417e-02 -4.5437e-04 6.3184e-06 3.2918e-05 -6.0000e+00 3.7324e-04 5.5243e-03 0.0000e+00 10 0 0 10 0 0 59.81 22.23 0.22 0.00552 0.00211 1566 296 1 5 0 32.220 26.00 19.99 22.23 14.88 35.8 1039.57 -3684 -3783 -4574 -5821 -4662 -3865 -2709 -1593 -1324 -3038 -2162 -756 -613 -12 -25 -524 -573 380 309 480 -141 942 1321 835 503 -9 -779 -892 202 1310 1255 1533 1269 -1080 -829 -134 71 448 519 -508 -1116 -806 -1070 -924 -647 -515 -824 -579 -614 483 777 695 1063 728 689 620 773 330 614 899 1516 1348 1322 531 -642 -14 157 550 1297 891 140 -343 -750 -605 -785 -203 314 656 1335 273 83 -738 -1509 -1301 -1134 -1097 -829 -608 -513 -677 -169 300 476 1401 1479 1314 904 797 -363 -579 -438 -525 62 785 -42 -815 -368 -763 -83 -75 -176 -357 -273 -115 0 705 905 895 624 -159 -638 -504 -261 -304 179 189 550 1486 1009 408 449 -14 262 152 214 -306 -190 132 -442 -477 -273 -200 -175 91 -296 -345 -443 -560 -411 -319 -226 -146 -136 -343 -250 -89 -80 -2 -4 -98 -116 81 69 112 -34 228 323 200 129 -3 -218 -243 52 325 322 430 394 -366 -279 -43 24 157 216 -238 -562 -439 -577 -509 -358 -285 -456 -316 -333 261 435 417 650 476 473 419 536 232 427 613 1086 960 1020 427 -525 -12 125 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