File name: Pandora32s1_GreenbeltMD_20230803_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20230805T034402.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20230803_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20230803 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 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20230803T120142.0Z 8615.501180 244 1 50.11 2 69.91 83.36 89.14 251.31 0.00 1 0.00 1 0 17 8.844e-02 9.704e-03 2.499e-02 2.993e-03 3.908790e-01 1.531396e-03 4.547497e-03 -6.000000e+00 5.120813e-02 232.04 -2.00 3.47 -2.00 318.76 0.00e+00 1.186300e-03 3.405021e-04 1.777165e-04 -6.000000e+00 2.298181e-03 290.65 -2.00 20.00 -2.00 317.89 0.00e+00 2.880 0.000 302.00 328.00 3 4.6881e+00 4.2394e-03 3.5211e-02 -6.0000e+00 1.2824e-01 4.2311e-02 4.8801e-03 2.0452e-02 -6.0000e+00 1.3855e-01 -6.8772e-03 3.3539e-03 9.9185e-03 -6.0000e+00 8.2664e-02 -2.4383e-03 1.7583e-03 2.8731e-03 -6.0000e+00 3.5123e-02 1.6931e-04 -4.9467e-04 8.4947e-05 2.9484e-05 -6.0000e+00 2.3597e-03 2.7420e-02 2.2884e-05 12 9 8 11 32 0 70.23 26.60 0.89 0.02742 0.02370 14 3 1 5 0 3578.670 31.10 25.01 26.60 25.35 3.2 999.21 -2842 -40394 -5939 -34994 -9741 -47523 39691 3401 -18547 9421 -18748 -35114 8662 -3284 17308 5796 648 4493 -3691 17622 -4438 -4664 6858 145 5581 -8015 12247 -1761 2611 -7786 8947 -6651 7484 -981 -11698 -2862 -8123 201 -6377 3708 -2060 -533 4081 499 879 3966 1897 5933 1116 3706 -1463 734 3551 1845 -286 -251 3 541 -153 1145 1999 1592 789 -64 -500 -995 834 260 434 1031 -1507 -809 -1798 403 -1256 -959 -80 -1119 -285 -1934 -1324 -417 -1733 -1241 -47 -621 730 -158 635 793 755 -616 791 -888 1375 889 907 1392 300 -185 -162 -1074 -714 -528 -1232 -926 -364 -656 -127 363 133 705 -106 93 1103 -319 425 -366 1047 -576 -384 -413 1181 211 313 -124 649 770 -270 231 68 -654 -383 362 -61 -215 -65 -639 547 85 113 -137 -300 -91 -2117 -238 -1807 -361 -2385 910 124 -948 397 -1051 -2390 445 -226 1156 493 63 445 -420 1718 -550 -580 780 19 732 -1255 1611 -255 346 -1132 1204 -1159 1274 -191 -2428 -530 -1680 45 -1791 1113 -719 -194 1480 190 337 1490 726 2183 429 1418 -619 330 1661 924 -152 -136 2 300 -84 615 1089 924 500 -44 -353 -679 531 164 288 755 -1221 -678 -1526 327 -979 -689 -53 -720 -189 -1446 -1095 -373 -1665 -1235 -48 -678 823 -184 737 902 818 -636 761 -851 1358 956 1062 1758 403 -250 -210 -1317 -829 -619 -1531 -1201 -486 -907 -182 548 210 1138 -170 143 1612 -452 595 -530 1568 -908 -612 -652 1810 318 458 -176 887 1055 -392 356 110 -1086 -645 626 -109 -401 -124 -1230 1051 162 209 -247 -530 SS 20230803T122557.3Z 8615.518024 254 1 41.82 2 65.22 87.02 93.42 255.07 0.00 1 0.00 1 0 17 1.579e-02 5.471e-03 4.837e-03 1.271e-03 3.284504e-01 6.488697e-04 3.853159e-03 -6.000000e+00 9.142254e-03 232.04 -2.00 3.47 -2.00 317.55 0.00e+00 5.718134e-04 1.016496e-04 9.217714e-05 -6.000000e+00 4.102955e-04 290.65 -2.00 20.00 -2.00 316.67 0.00e+00 2.370 0.000 302.00 328.00 3 3.5841e+00 1.7364e-03 2.9145e-02 -6.0000e+00 2.2894e-02 3.2620e-02 1.9561e-03 1.7058e-02 -6.0000e+00 2.4735e-02 -1.0082e-02 1.1899e-03 8.2402e-03 -6.0000e+00 1.4758e-02 -5.5892e-04 5.9673e-04 2.2856e-03 -6.0000e+00 6.2710e-03 9.1739e-04 -4.8521e-05 3.5762e-05 2.4384e-05 -6.0000e+00 4.2120e-04 2.8165e-02 8.4217e-05 12 1 1 12 1 1 99.41 26.68 0.40 0.02816 0.02780 39 11 1 5 0 1041.230 31.10 25.02 26.68 26.60 3.2 1006.28 -1531 -8126 -1234 -6847 -5022 -7056 1956 -1432 -310 -1840 -5772 -3415 -1475 905 1043 756 -103 1581 730 2412 283 -478 1302 -374 579 409 580 228 -403 -1536 2252 -573 3145 -1315 -3240 -1654 -2098 -348 -1075 408 -1079 -243 -1340 -384 149 78 -548 -160 -163 -41 509 974 716 1320 804 653 584 -151 596 159 1365 919 1208 1504 -140 -6 264 200 850 833 153 -102 43 179 16 -385 -634 -921 -619 -924 -1190 -1238 -1659 -1636 -511 -438 -93 -76 174 494 475 752 -7 708 789 530 407 372 115 -392 -455 -834 -332 80 -835 -897 -550 -535 -95 344 -27 151 249 248 396 319 327 177 142 -120 -385 43 63 180 386 247 455 1015 539 285 234 -314 -193 171 89 -193 7 -141 22 -163 -45 -388 -340 -122 -773 -115 -653 -428 -576 154 -130 -31 -200 -657 -389 -184 128 169 137 -20 315 154 519 64 -108 294 -90 147 108 154 59 -99 -375 562 -160 925 -419 -1011 -492 -662 -123 -444 190 -550 -129 -734 -211 82 43 -302 -87 -88 -22 287 582 450 861 542 449 409 -106 412 109 948 672 938 1229 -117 -5 202 150 662 706 140 -96 41 166 14 -320 -492 -692 -476 -775 -1088 -1213 -1712 -1740 -562 -503 -111 -93 211 590 544 815 -7 712 821 590 485 474 153 -524 -588 -1024 -390 96 -1045 -1167 -734 -734 -134 506 -42 235 382 366 558 433 441 245 205 -180 -585 65 93 262 543 339 604 1344 746 415 353 -485 -301 272 147 -328 13 -246 38 -285 -76 -645 -557 SS 20230803T123257.1Z 8615.522883 258 1 5.17 2 63.86 88.09 94.66 256.13 0.00 1 0.00 1 0 17 3.866e-02 1.077e-02 2.661e-02 7.526e-03 3.064940e-01 3.840506e-03 3.623089e-03 -6.000000e+00 2.237693e-02 232.04 -2.00 3.47 -2.00 317.45 0.00e+00 1.005717e-03 5.850389e-04 6.913791e-05 -6.000000e+00 1.004365e-03 290.65 -2.00 20.00 -2.00 316.57 0.00e+00 2.256 0.000 302.00 328.00 3 4.4543e+00 1.0259e-02 2.7587e-02 -6.0000e+00 5.6036e-02 2.1505e-02 1.1544e-02 1.6016e-02 -6.0000e+00 6.0550e-02 -2.4999e-03 6.9626e-03 7.7213e-03 -6.0000e+00 3.6125e-02 -8.4018e-04 3.4663e-03 2.2425e-03 -6.0000e+00 1.5344e-02 4.4373e-04 -3.0662e-04 2.1247e-04 2.3734e-05 -6.0000e+00 1.0315e-03 2.8716e-02 -8.2878e-07 12 9 9 12 1 1 999.00 26.70 0.49 0.02872 0.02641 1 4 1 5 0 2502.830 31.19 24.99 26.70 27.04 3.2 1009.02 -830 -17721 -570 -10039 -19550 -5223 7726 -832 -11748 -1899 10221 -6886 2502 1773 16190 -1757 4023 7186 5633 4589 3761 -7547 965 4970 -2062 -855 1313 310 -853 -5083 4689 -5139 2530 -518 -8609 6475 -4288 -470 -1244 4095 -3946 -1234 1689 171 -256 124 964 3261 -1367 431 -2679 314 -415 1506 -1170 408 2418 1187 1324 -3196 1359 600 1500 759 -255 2508 -439 728 -698 1060 115 23 -920 520 -100 908 -713 -143 -697 496 -783 -1995 -1038 -1596 -522 501 464 -1339 217 822 959 -1617 211 -274 48 -406 605 616 476 71 618 -1156 -864 442 -1065 -351 325 -1137 281 -78 1344 -372 -350 -146 301 -373 -270 1575 -511 -204 -803 -83 535 -333 1275 1062 116 509 578 -41 555 -1127 776 1301 -374 -303 -668 -734 1013 446 -116 -650 -785 -73 -2036 -58 -1083 -2088 -459 627 -82 -1428 -224 1081 -869 322 266 2446 -346 798 1443 1200 1022 868 -1913 230 1200 -559 -239 362 83 -219 -1329 1187 -1537 770 -168 -2878 1846 -1414 -170 -529 1902 -2108 -674 927 96 -145 70 540 1769 -761 238 -1575 192 -267 997 -811 285 1693 838 923 -2280 958 447 1182 633 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