File name: Pandora55s1_QueensNY_20230619_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114629.4Z 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_20230619_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: 20230619 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 20230619T114455.2Z 8570.489528 104 1 50.47 2 66.12 78.91 76.41 65.87 0.00 1 0.00 1 0 25 1.407e-01 1.287e-02 1.775e-02 2.435e-03 3.546741e-01 1.285359e-03 4.166655e-03 -6.000000e+00 8.507448e-02 232.91 -2.00 3.51 -2.00 318.12 0.00e+00 2.682739e-03 2.364211e-04 2.465803e-04 -6.000000e+00 3.761437e-03 287.10 -2.00 20.00 -2.00 317.31 0.00e+00 2.452 0.000 302.00 328.00 3 4.6484e+00 3.4814e-03 3.1044e-02 -6.0000e+00 2.1352e-01 5.0543e-02 3.9356e-03 1.9163e-02 -6.0000e+00 2.3026e-01 -1.4465e-02 2.4993e-03 9.1178e-03 -6.0000e+00 1.3709e-01 -3.7527e-04 1.2658e-03 3.5083e-03 -6.0000e+00 5.7283e-02 2.7064e-04 -3.6941e-04 7.4982e-05 3.6925e-05 -6.0000e+00 4.2043e-03 1.9852e-03 0.0000e+00 12 9 9 12 32 32 6.65 22.65 0.34 0.00199 -0.00079 15 3 1 5 0 3363.940 26.00 20.01 22.65 26.69 34.9 1085.74 -34185 -15415 141722 -27686 18797 17191 10827 15170 8894 367 -17132 -7889 -15696 -3164 24104 4485 -13014 -20755 25237 18569 -473 1806 5599 -9733 -1242 -5039 21212 -3950 -3832 -2463 -104 8029 1452 -638 520 -775 -4430 -1167 2127 1198 -4418 1050 -5032 -1980 -1225 3562 -3122 5182 2215 3494 3116 -603 -475 -1070 3505 1114 3710 441 2501 1114 1206 3076 1282 -1277 1337 -2444 -1061 -384 1293 1999 -1779 1137 904 -2248 1588 -2026 1344 2403 725 -1252 -898 -1146 -780 -824 -2650 -685 -1797 -140 -917 161 -236 28 259 1452 1053 517 263 -387 0 -1455 43 -613 139 1125 519 -883 -460 -798 200 927 564 -701 157 -215 -279 468 -118 1600 582 -90 -1291 -268 751 713 -225 -91 -365 905 504 -258 1134 433 30 702 979 -60 -83 446 -261 -852 -426 -592 -224 -298 -2448 -1057 2373 -2233 920 805 547 800 552 26 -1486 -650 -1542 -323 2238 566 -2090 -3797 3202 2617 -82 309 933 -1924 -240 -1051 3554 -815 -762 -477 -20 1613 339 -161 131 -191 -1155 -328 673 440 -1884 458 -2394 -942 -584 1652 -1528 2362 1031 1622 1497 -315 -262 -625 2055 683 2277 279 1556 694 756 1967 883 -956 1023 -1911 -790 -275 921 1512 -1493 990 806 -2034 1352 -1678 1012 1698 515 -952 -745 -1035 -752 -832 -2816 -750 -2071 -165 -1104 192 -275 31 272 1447 1048 543 296 -471 0 -1969 57 -790 169 1324 623 -1112 -600 -1076 277 1330 846 -1098 248 -335 -419 673 -164 2203 825 -133 -1990 -415 1149 1075 -333 -131 -510 1224 687 -368 1685 671 47 1130 1615 -104 -147 801 -475 -1565 -771 -1050 -388 -508 SS 20230619T115718.6Z 8570.498132 109 1 51.01 2 63.81 80.73 74.33 67.58 0.00 1 0.00 1 0 17 7.420e-02 1.061e-02 9.242e-03 2.118e-03 3.235231e-01 1.118848e-03 3.815389e-03 -6.000000e+00 4.485857e-02 232.91 -2.00 3.51 -2.00 317.70 0.00e+00 4.661302e-04 1.808375e-04 1.090271e-04 -6.000000e+00 1.983494e-03 287.10 -2.00 20.00 -2.00 316.88 0.00e+00 2.253 0.000 302.00 328.00 3 4.6751e+00 3.0016e-03 2.8360e-02 -6.0000e+00 1.1259e-01 2.1760e-02 3.3739e-03 1.7037e-02 -6.0000e+00 1.2142e-01 -9.0787e-03 2.0613e-03 8.2165e-03 -6.0000e+00 7.2287e-02 2.2291e-03 1.0201e-03 2.2807e-03 -6.0000e+00 3.0202e-02 3.4191e-04 -3.3887e-04 6.5445e-05 2.7539e-05 -6.0000e+00 2.2171e-03 2.5482e-03 0.0000e+00 12 9 8 11 32 0 32.62 22.65 0.25 0.00255 0.00000 17 3 1 5 0 2999.720 26.00 20.00 22.65 26.96 34.9 1086.62 -30813 -13939 56735 -20276 1217 11902 -2634 37199 7163 -891 -8623 -4719 -6645 -3657 16948 6600 -4669 -10364 15007 7878 1930 348 1890 -6171 353 -2587 -2299 -763 -3082 -2697 542 3492 673 -5137 -1041 -2330 -2761 -3009 2579 1366 -2286 596 -3040 -1391 -784 2935 369 2887 66 2126 1 -659 -1253 3378 2234 891 2805 1009 2217 1272 1278 2491 1415 -855 461 -2950 1113 -354 1139 842 -1126 318 373 -992 1000 -809 441 1464 267 -1019 -1291 244 -1175 -1105 -2397 -685 -1544 -608 -775 -183 -430 -314 334 958 612 891 36 628 -483 -411 -198 -398 143 734 312 -548 -408 -948 188 856 386 -573 202 -186 -367 -98 791 1076 592 -169 -983 -370 553 953 389 -488 -414 1219 193 114 1006 593 722 -11 627 -197 58 257 -565 -846 -287 -318 -242 -259 -2955 -1287 2862 -2048 94 789 -204 2184 619 -89 -947 -516 -806 -492 2170 1040 -874 -2138 2583 1508 399 74 401 -1459 83 -655 -590 -189 -748 -635 127 862 185 -1558 -305 -672 -819 -988 935 573 -1091 296 -1611 -742 -418 1528 195 1487 34 1095 1 -374 -754 2057 1426 588 1867 686 1490 851 860 1716 1040 -676 374 -2431 854 -265 849 670 -978 288 345 -922 889 -693 350 1091 198 -799 -1102 223 -1156 -1138 -2587 -762 -1803 -729 -946 -222 -509 -355 356 974 620 942 41 761 -625 -550 -263 -510 173 866 376 -692 -533 -1281 261 1220 575 -887 315 -286 -544 -139 1081 1463 827 -247 -1487 -565 837 1414 566 -694 -573 1628 260 160 1465 896 1113 -17 1008 -329 100 450 -1002 -1510 -505 -549 -407 -431 SS 20230619T120326.0Z 8570.502384 112 1 50.83 2 62.67 81.64 73.29 68.42 0.00 1 0.00 1 0 25 6.207e-02 1.072e-02 7.627e-03 1.979e-03 3.080494e-01 1.045586e-03 3.648990e-03 -6.000000e+00 3.751934e-02 232.91 -2.00 3.51 -2.00 317.52 0.00e+00 5.109954e-04 1.612760e-04 1.149271e-04 -6.000000e+00 1.659216e-03 287.10 -2.00 20.00 -2.00 316.70 0.00e+00 2.166 0.000 302.00 328.00 3 4.6632e+00 2.7949e-03 2.7181e-02 -6.0000e+00 9.4167e-02 8.7952e-03 3.1360e-03 1.6251e-02 -6.0000e+00 1.0156e-01 -4.4685e-05 1.8903e-03 7.8337e-03 -6.0000e+00 6.0463e-02 -3.3963e-04 9.2571e-04 2.1889e-03 -6.0000e+00 2.5257e-02 3.8670e-04 -2.8968e-04 6.0731e-05 2.6581e-05 -6.0000e+00 1.8547e-03 3.6205e-03 0.0000e+00 12 9 8 11 32 0 -152.46 22.66 0.45 0.00362 0.00144 18 3 1 5 0 2823.180 26.00 20.00 22.66 27.20 35.0 1088.80 -19692 -14610 46059 -17610 2980 9901 -1218 28250 4348 923 -11173 -3808 -9986 -351 10968 632 -5212 -14123 13555 5938 8198 -1959 2551 -6470 1285 -1444 10463 -2657 -1797 -2598 -644 5032 -1381 -5034 -2674 8470 -3333 -1842 831 1944 -2876 1109 -3210 -1748 -412 1828 -1556 1381 481 1545 196 -1039 -996 3417 1828 648 2535 490 1363 919 686 2787 1175 -914 424 189 1220 -719 890 867 -716 66 149 -533 -752 -1002 623 2086 456 -871 -1014 354 -1236 -1770 -2102 -600 -1392 -379 -1038 -183 -54 556 -229 916 1292 812 370 281 -140 -278 -386 -778 -384 1208 286 -693 -288 -617 19 98 312 -697 172 -98 -446 240 703 1020 601 -44 -701 -313 649 -111 290 -247 -182 1241 1093 252 642 427 382 506 396 -224 132 177 -290 -764 -407 -471 -263 -235 -1937 -1535 2902 -1957 256 754 -105 2026 434 102 -1407 -460 -1386 -51 1639 115 -1073 -3288 2581 1257 1751 -461 585 -1665 326 -391 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