File name: Pandora55s1_QueensNY_20230823_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T120728.7Z 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_20230823_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: 20230823 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 20230823T113910.4Z 8635.485537 80 1 50.12 2 74.81 87.87 149.31 54.62 0.00 1 0.00 1 0 25 2.867e-01 1.769e-02 8.427e-02 3.829e-03 4.711116e-01 2.051123e-03 5.460757e-03 -6.000000e+00 1.734493e-01 231.16 -2.00 3.51 -2.00 319.85 0.00e+00 3.999239e-03 6.518030e-04 2.277221e-04 -6.000000e+00 7.843770e-03 289.73 -2.00 20.00 -2.00 319.06 0.00e+00 3.744 0.001 302.00 328.00 3 3.8015e+00 6.0236e-03 4.4954e-02 -6.0000e+00 4.3351e-01 6.7894e-02 7.2406e-03 2.5295e-02 -6.0000e+00 4.6816e-01 -3.9053e-02 5.5948e-03 1.2732e-02 -6.0000e+00 2.7863e-01 1.2243e-02 2.8629e-03 5.5662e-03 -6.0000e+00 1.1701e-01 1.5811e-04 -9.1993e-04 1.1831e-04 5.7864e-05 -6.0000e+00 8.6972e-03 3.3224e-03 0.0000e+00 12 8 8 10 0 0 99.95 19.06 0.22 0.00332 -0.00359 47 9 1 5 0 1066.280 26.00 19.97 19.06 25.58 35.8 1054.79 -97266 -70150 900000 -102120 29450 106824 -8516 900000 2902 979 -74490 -41124 -48244 -41144 129856 8370 -36370 -61312 99764 71674 54274 15983 21032 -33522 8865 -12357 121522 -8805 -16467 -23055 8009 13884 2204 -20619 4936 47748 -7203 -7860 9372 13798 -9648 6134 -7121 790 -3013 11036 -3923 8160 10347 9664 3210 1049 -1756 13763 10387 3557 8570 1938 5497 -747 1636 8799 1749 -2971 4874 -6059 6204 -1221 1364 1670 -2445 750 2477 -2935 3583 -1288 1662 5203 603 -3732 -3545 2074 -727 -1345 -4153 -147 -3097 -1089 -2266 -479 -769 -715 168 762 745 -2077 -453 362 254 -94 -804 -1347 301 1504 1378 2 -539 -920 -188 1864 446 -1488 404 163 -411 162 647 1556 300 -30 -1452 -485 642 1877 259 -417 -83 845 752 -261 710 653 822 699 495 -560 375 227 -224 -1303 -445 -275 -71 -354 -3104 -2034 900000 -4299 359 610 -143 900000 53 20 -3062 -1332 -1900 -1834 1487 335 -2433 -5568 2267 2214 2031 861 1097 -2989 570 -1013 3038 -711 -1398 -2093 590 1099 219 -2731 525 3371 -865 -1061 1278 2121 -2082 1246 -1718 184 -739 2427 -997 1884 2372 2295 851 307 -572 4163 3432 1297 3084 747 2045 -291 629 3315 762 -1480 2411 -3336 2970 -609 681 909 -1519 487 1627 -2000 2208 -773 897 2573 313 -2172 -2328 1451 -571 -1133 -3759 -136 -3091 -1113 -2388 -496 -775 -685 150 649 643 -1968 -466 410 314 -123 -1049 -1681 348 1649 1532 2 -671 -1192 -253 2613 674 -2410 663 265 -648 243 937 2235 449 -47 -2375 -796 1030 2916 397 -623 -120 1181 1068 -395 1146 1110 1448 1268 933 -1106 763 473 -474 -2784 -931 -557 -138 -681 SS 20230823T114853.6Z 8635.492287 83 1 4.24 2 72.98 89.44 147.87 57.78 0.00 1 0.00 1 0 25 5.179e-02 7.430e-03 3.291e-02 3.339e-03 4.377793e-01 1.757782e-03 5.149092e-03 -6.000000e+00 3.112013e-02 231.16 -2.00 3.51 -2.00 318.79 0.00e+00 3.804870e-04 4.020407e-04 1.945530e-04 -6.000000e+00 1.399976e-03 289.73 -2.00 20.00 -2.00 317.94 0.00e+00 3.363 0.001 302.00 328.00 3 1.8388e+00 4.8636e-03 4.0797e-02 -6.0000e+00 7.7695e-02 2.4940e-02 5.5990e-03 2.3140e-02 -6.0000e+00 8.3855e-02 -4.8924e-03 3.8856e-03 1.1186e-02 -6.0000e+00 5.0081e-02 -4.5956e-03 2.0265e-03 3.0918e-03 -6.0000e+00 2.1061e-02 1.7300e-03 -7.0294e-04 1.0072e-04 3.6851e-05 -6.0000e+00 1.5469e-03 1.5044e-03 0.0000e+00 12 9 1 12 1 1 77.27 19.08 0.23 0.00150 -0.00378 10 26 1 5 0 369.220 25.90 20.01 19.08 25.95 35.7 1055.38 -25153 3485 4862 -1326 -25526 9210 -23656 21555 5832 -5408 -10266 -6380 -5908 -18138 11412 -6796 -3781 -14640 5659 -1624 2134 3413 57 -1761 -2182 -1534 -1145 5232 -2810 2330 -1408 4783 1571 -4867 -2689 2674 -215 1138 451 421 -991 -2247 -432 -2168 -1975 -1676 -1744 1230 -447 1596 227 667 86 3528 777 784 430 74 726 1394 1561 1954 1241 188 496 80 1183 171 1680 1535 -438 -39 -655 -596 -319 476 1182 905 1839 428 -179 -198 -1175 -1450 -1444 -1574 -445 -993 -577 -1106 197 61 -287 951 1957 1159 475 853 -325 -323 -665 -233 -320 788 -77 -1061 -782 -580 -6 281 -121 -452 -343 -388 305 552 997 727 723 -107 -525 -746 -317 -85 -65 139 989 1758 673 333 591 117 170 -32 415 -722 -77 177 -395 50 -95 -487 -126 -182 -788 96 143 -41 -942 236 -846 564 200 -222 -464 -294 -305 -1237 704 -568 -339 -1555 534 -172 226 366 6 -212 -283 -210 -160 683 -382 301 -198 709 267 -937 -514 480 -41 237 111 121 -321 -792 -157 -818 -752 -644 -672 464 -172 618 92 289 40 1689 399 416 236 41 400 756 850 1096 747 122 336 54 779 111 1096 1074 -336 -32 -544 -491 -254 358 828 604 1222 305 -140 -169 -1085 -1409 -1458 -1658 -485 -1121 -660 -1266 219 65 -292 927 1908 1196 529 1021 -418 -430 -887 -299 -391 925 -92 -1325 -1014 -773 -9 402 -181 -707 -548 -614 467 814 1425 1040 1057 -162 -824 -1183 -496 -130 -97 204 1409 2444 950 490 919 189 284 -55 724 -1309 -144 335 -758 95 -180 -906 -228 -325 SS 20230823T121700.8Z 8635.511815 99 1 50.06 2 67.66 94.10 143.45 65.83 0.00 1 0.00 1 0 25 1.169e-02 6.169e-03 9.996e-04 2.541e-04 3.422935e-01 1.337166e-04 4.089875e-03 -6.000000e+00 7.025373e-03 231.16 -2.00 3.51 -2.00 317.57 0.00e+00 5.279344e-05 2.126015e-05 1.180350e-04 -6.000000e+00 3.159989e-04 289.73 -2.00 20.00 -2.00 316.70 0.00e+00 2.608 0.000 302.00 328.00 3 2.1698e-01 3.5716e-04 3.1693e-02 -6.0000e+00 1.7540e-02 1.3066e-02 4.0159e-04 1.7978e-02 -6.0000e+00 1.8929e-02 -8.2116e-03 2.4314e-04 8.6959e-03 -6.0000e+00 1.1305e-02 -6.6003e-04 1.2047e-04 2.3742e-03 -6.0000e+00 4.7554e-03 2.0711e-02 -4.4661e-04 7.7724e-06 3.0068e-05 -6.0000e+00 3.4914e-04 1.2527e-04 0.0000e+00 10 0 0 10 0 0 6.96 19.14 0.22 0.00013 -0.00323 1188 225 1 5 0 42.090 26.00 19.98 19.14 25.98 35.9 1056.59 -3237 -3316 -3814 -4955 -4799 -2592 -3653 -816 -1740 -2226 -2422 -887 -895 -387 284 -958 -400 -709 559 165 149 680 1388 579 480 3 -573 -671 -36 1334 983 1557 1137 -1078 -1007 -229 -85 350 524 -619 -1244 -992 -1016 -1023 -634 -513 -739 -668 -545 401 764 692 922 1010 744 703 827 418 665 883 1476 1459 1343 717 -433 -3 211 505 1315 849 165 -276 -702 -568 -831 -236 109 598 1201 275 42 -652 -1448 -1336 -1186 -1093 -757 -558 -473 -636 -111 324 431 1303 1439 1199 896 761 -358 -527 -441 -552 -65 771 -28 -827 -376 -748 -138 -78 -66 -346 -257 -91 29 606 891 837 608 -154 -649 -451 -295 -329 139 164 471 1406 1032 443 489 21 292 133 278 -279 -208 152 -403 -488 -220 -241 -234 86 -241 -281 -343 -444 -399 -198 -288 -69 -168 -234 -264 -98 -110 -55 46 -166 -75 -142 116 36 34 155 318 140 124 1 -150 -171 -9 334 254 406 329 -340 -317 -69 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