File name: Pandora75s1_EssexMD_20250102_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T090636.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250102_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250102 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20250102T142014.0Z 9133.597385 99 1 52.28 2 73.75 139.60 94.53 112.45 0.00 1 0.00 1 0 17 2.178e-01 1.668e-02 6.467e-02 3.620e-03 4.841283e-01 1.900424e-03 5.830300e-03 -6.000000e+00 1.290589e-01 223.56 -2.00 3.48 -2.00 319.73 0.00e+00 4.063447e-03 5.709491e-04 2.110000e-03 -6.000000e+00 5.771194e-03 277.44 -2.00 20.00 -2.00 319.13 0.00e+00 3.515 0.001 302.00 328.00 3 4.5831e+00 5.3788e-03 4.2993e-02 -6.0000e+00 3.1764e-01 7.6017e-02 6.3775e-03 2.5370e-02 -6.0000e+00 3.4634e-01 -7.7763e-02 5.1676e-03 1.4175e-02 -6.0000e+00 2.0596e-01 2.9872e-02 2.6694e-03 5.3786e-03 -6.0000e+00 8.5841e-02 9.0467e-05 -3.8974e-04 1.1344e-04 7.8050e-05 -6.0000e+00 6.8100e-03 1.1713e-02 -5.0075e-05 12 9 8 11 8 0 72.68 22.89 1.20 0.01171 0.00878 14 2 1 5 0 3733.800 25.79 20.00 22.89 11.04 5.7 902.69 -174302 -41749 900000 31883 -72846 -49493 900000 31591 -67641 -13625 -30928 -13256 92552 900000 16238 -30393 -2036 -14917 16239 3096 6680 31197 -14509 1313 -17045 8134 -8659 -15991 -14088 41781 -1900 -626 7640 -5292 14656 3775 1779 -1367 7945 13616 -2185 7101 5459 2548 -1326 7256 5357 -1341 4508 6207 2275 713 5426 6978 2510 4980 353 -2172 -3835 -609 4305 6907 2861 1795 1375 -3325 1320 -430 4334 2299 -1296 3101 -299 162 -1644 -223 -3046 -624 -2631 -3171 -1632 -2827 -2190 -1372 -1951 -910 -723 1003 163 2890 180 -414 -1736 -2327 -2517 -659 890 -254 767 417 -1714 -1551 -1453 -710 -1579 -2205 -305 719 869 1010 2339 812 341 -530 -1299 1087 590 93 957 120 955 622 1213 950 98 -785 613 -951 950 -181 -231 -463 -114 17 -276 -348 234 737 -476 454 -40 -887 -617 -11684 -857 900000 327 -1986 -1032 900000 368 -2339 -293 -829 -327 947 900000 533 -1855 -104 -942 802 182 389 1431 -1080 88 -1449 560 -712 -1382 -1178 2093 -166 -62 774 -642 1432 412 215 -198 1250 2368 -496 1573 1287 635 -349 1777 1351 -367 1191 1691 697 242 1728 2339 922 1839 139 -872 -1540 -236 1653 2812 1343 925 731 -1802 665 -224 2327 1412 -899 2144 -212 109 -1036 -126 -1649 -329 -1541 -2143 -1243 -2235 -1865 -1232 -1880 -922 -767 1072 175 2901 173 -373 -1515 -2072 -2446 -711 991 -319 1009 545 -2155 -1790 -1582 -780 -1856 -2759 -396 983 1191 1505 3687 1337 556 -829 -1924 1511 828 137 1474 193 1529 976 1832 1381 148 -1149 866 -1419 1408 -297 -407 -801 -204 32 -553 -682 466 1483 -962 934 -80 -1689 -1158 SS 20250102T142539.4Z 9133.601150 102 1 51.00 2 73.08 140.70 93.59 113.24 0.00 1 0.00 1 0 17 2.550e-01 1.320e-02 1.007e-01 3.351e-03 4.709330e-01 1.744924e-03 5.546124e-03 -6.000000e+00 1.499590e-01 223.56 -2.00 3.48 -2.00 319.56 0.00e+00 2.264530e-03 4.976494e-04 1.488041e-03 -6.000000e+00 6.711683e-03 277.44 -2.00 20.00 -2.00 318.97 0.00e+00 3.384 0.001 302.00 328.00 3 4.5752e+00 4.8943e-03 4.1390e-02 -6.0000e+00 3.6914e-01 4.7817e-02 5.7732e-03 2.4428e-02 -6.0000e+00 4.0235e-01 -3.0915e-02 4.6443e-03 1.2769e-02 -6.0000e+00 2.4003e-01 6.1766e-03 2.4185e-03 4.1012e-03 -6.0000e+00 1.0036e-01 1.0575e-04 -8.0181e-04 1.0439e-04 5.5671e-05 -6.0000e+00 7.8932e-03 1.2243e-02 -8.7331e-05 12 9 8 11 8 0 65.95 22.90 0.73 0.01224 0.00622 15 2 1 5 0 3399.520 25.79 20.00 22.90 11.19 5.8 903.79 -150941 -33880 900000 80486 -54036 -20630 136693 -6826 -61756 45037 -44475 -12523 47967 147120 6572 -25507 -13999 -10652 10188 -6733 11332 9782 -11017 -3490 -14765 -6878 -8918 -19013 3719 23163 -4980 -2540 -325 -1275 10874 -1255 -2408 1398 5975 6677 -927 6330 6331 2563 970 1377 1147 -1248 755 5334 1317 1973 4631 5108 855 4570 509 -1593 -2065 -1499 1878 6426 3674 586 960 -2594 109 -1033 1588 1511 -79 2570 -265 -948 -1626 -614 -2625 -110 -1802 -2741 -1395 -2806 -1785 -785 -2030 -228 146 930 827 2199 -137 -404 -1945 -1502 -1749 249 1063 268 1076 51 -905 -1168 -1230 -495 -2006 -1315 -668 530 744 1154 1933 511 292 -341 -460 509 -71 84 411 448 895 416 868 276 535 -547 402 -571 245 -169 -579 -587 -282 423 -319 -586 178 847 -616 592 195 -458 -628 -8293 -664 900000 578 -1395 -371 536 -125 -2179 589 -1497 -335 831 1154 253 -1575 -855 -682 566 -464 670 594 -853 -267 -1346 -607 -813 -1870 286 1521 -483 -274 -38 -159 1186 -155 -327 213 1044 1361 -228 1551 1622 698 272 389 328 -369 224 1580 399 649 1604 1884 346 1839 218 -693 -889 -639 803 2847 1850 330 552 -1502 60 -580 939 1002 -53 1759 -185 -636 -1107 -375 -1524 -62 -1118 -1965 -1033 -2357 -1609 -745 -1922 -225 151 978 866 2185 -141 -387 -1805 -1404 -1780 259 1240 350 1374 65 -1183 -1409 -1403 -569 -2488 -1713 -848 707 1068 1794 2978 822 462 -517 -701 739 -105 128 659 696 1390 679 1368 420 776 -770 548 -815 378 -266 -981 -1044 -522 766 -616 -1183 366 1753 -1284 1176 372 -841 -1142 SS 20250102T143114.4Z 9133.605028 105 1 50.84 2 72.40 141.84 92.62 114.07 0.00 1 0.00 1 0 17 2.265e-01 1.163e-02 9.500e-02 3.106e-03 4.536275e-01 1.603083e-03 5.374666e-03 -6.000000e+00 1.332618e-01 223.56 -2.00 3.48 -2.00 319.39 0.00e+00 1.936343e-03 4.347032e-04 1.676328e-03 -6.000000e+00 5.882437e-03 277.44 -2.00 20.00 -2.00 318.79 0.00e+00 3.262 0.001 302.00 328.00 3 4.5927e+00 4.4751e-03 3.9969e-02 -6.0000e+00 3.2805e-01 3.8837e-02 5.2387e-03 2.3822e-02 -6.0000e+00 3.5753e-01 -3.0564e-02 4.0744e-03 1.2389e-02 -6.0000e+00 2.1319e-01 6.8168e-03 2.1275e-03 3.8647e-03 -6.0000e+00 8.8839e-02 1.2012e-04 -3.1003e-04 9.6853e-05 5.4698e-05 -6.0000e+00 7.0032e-03 1.1757e-02 -2.9890e-05 12 9 8 11 40 0 64.03 22.91 0.58 0.01176 0.00943 16 3 1 5 0 3176.910 25.79 20.00 22.91 11.35 5.7 904.87 -122143 -15045 177328 2372 -51304 -63828 105919 -24526 -33770 -8772 -16765 -16726 17531 10815 -3973 -16536 -16698 -5587 -1383 -6183 17528 21077 -5768 6403 -15624 574 -5555 -16158 -4091 -7335 -4586 -1242 2126 -2011 4457 -1747 -4038 -519 -1675 6169 -1293 6762 5107 867 -597 2125 2404 -573 592 3772 1145 -1237 5169 3857 2427 -524 1639 -547 -1622 -1506 1812 5088 2856 1071 1277 -1574 -224 348 1548 1594 -597 2922 980 -762 -385 -1254 -2883 -617 -1753 -3049 -1077 -2210 -2456 -601 -1408 340 90 894 112 473 469 -410 -1748 -1472 -1657 77 779 75 1279 208 -597 -1356 -1473 -954 -1321 -1325 -391 398 836 1015 1635 421 460 -703 -747 982 253 390 762 -70 778 713 1208 856 147 -731 -32 -587 331 -146 -336 -911 -202 -287 -200 -490 446 692 -293 356 43 -457 -308 -6088 -324 591 45 -1539 -2107 674 -639 -1074 -234 -508 -552 483 387 -197 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