File name: Pandora75s1_EssexMD_20240613_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240618T235647.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240613_L1_smca1c1d20221230p1-8.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: 20240613 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-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240613T103307.0Z 8930.439665 68 1 51.03 2 81.49 66.85 132.95 356.59 0.00 1 0.00 1 0 17 5.168e-01 2.804e-02 2.513e-01 7.879e-03 7.908359e-01 4.690807e-03 9.308029e-03 -6.000000e+00 3.213418e-01 232.83 -2.00 3.48 -2.00 321.67 0.00e+00 1.373159e-03 2.417281e-03 6.392932e-03 -6.000000e+00 1.475663e-02 287.52 -2.00 20.00 -2.00 321.12 0.00e+00 6.357 0.004 302.00 328.00 3 2.1780e+00 1.7335e-02 8.4039e-02 -6.0000e+00 8.0601e-01 8.0808e-01 2.2374e-02 6.2998e-02 -6.0000e+00 8.6698e-01 -1.2233e+00 1.7154e-02 2.6748e-02 -6.0000e+00 5.1517e-01 5.1119e-01 8.0006e-03 6.2878e-03 -6.0000e+00 2.1857e-01 4.5648e-05 -2.2322e-03 2.3401e-04 1.3554e-04 -6.0000e+00 1.6043e-02 -3.4005e-02 1.1036e-04 12 8 8 10 0 0 32.52 23.53 1.14 -0.03400 -0.05078 31 5 1 5 0 1645.960 26.32 19.99 23.53 27.10 4.3 1012.15 59613 -44645 30569 148262 -104161 -47292 -43435 -93584 -133936 -110025 -130425 13095 900000 112573 -35994 79552 -30633 -50663 240279 -13336 237178 75837 9605 -17223 80735 142894 900000 29512 85837 -38892 68597 -6706 49588 37542 29781 900000 -14841 68038 81909 -5724 13110 19254 21415 66908 54409 76863 78581 38647 92734 13650 21941 31721 84879 72411 5822 32152 17590 29113 21288 12764 7472 13824 10957 11941 12009 15440 4548 14102 21454 31678 11409 8709 10490 -2141 7934 6322 -9676 -3581 234 -6039 -2113 -16127 63 3103 104 -4375 3257 -1061 2751 118 -2880 -5489 2033 -6479 -6296 55 -2997 -174 -1065 -1029 -4002 -3865 -2278 -720 -2075 -2221 -1863 -2346 -1248 471 1827 268 -757 -1824 883 -703 630 -377 -38 2646 -576 3634 4821 1582 1200 517 28 1111 -952 1367 565 -1780 987 -1441 -38 301 1453 1369 -231 50 -1537 -2449 583 -1371 448 1138 -4726 -1089 -940 -3462 -7760 -5146 -7556 192 900000 864 -1457 1166 -1475 -3147 1845 -586 1821 1270 308 -745 1353 1297 900000 762 1198 -1955 1341 -323 1523 1363 1123 900000 -881 2194 2704 -527 1107 1611 1792 3545 3217 3600 3620 2700 3916 1352 2190 3166 5409 5615 925 4049 2593 3755 2844 1793 1119 2091 1910 2292 2434 3023 995 2923 4530 6811 3285 2675 3109 -674 2047 1490 -2519 -899 64 -2068 -818 -8234 30 1549 57 -2664 1921 -669 1662 70 -1670 -3098 1049 -3840 -4215 41 -2416 -156 -1051 -1023 -3883 -3421 -2020 -626 -1931 -2000 -1786 -2461 -1443 606 2590 413 -1204 -2883 1311 -1036 929 -588 -62 4331 -962 5618 7103 2325 1707 721 39 1635 -1616 2570 1090 -3803 2188 -3500 -96 804 3924 3449 -583 131 -3801 -5756 SS 20240613T104806.1Z 8930.450071 73 1 51.65 2 78.80 69.03 133.05 1.47 0.00 1 0.00 1 0 17 4.582e-01 1.331e-02 6.045e-02 2.290e-03 6.565499e-01 1.302940e-03 7.994683e-03 -6.000000e+00 2.837167e-01 232.83 -2.00 3.48 -2.00 320.80 0.00e+00 2.057805e-03 5.615345e-04 4.351172e-03 -6.000000e+00 1.243310e-02 287.52 -2.00 20.00 -2.00 320.18 0.00e+00 4.967 0.002 302.00 328.00 3 1.8017e+00 4.2033e-03 6.4144e-02 -6.0000e+00 7.1196e-01 1.2167e-01 5.4602e-03 4.4258e-02 -6.0000e+00 7.6451e-01 -2.5330e-01 4.9779e-03 2.0107e-02 -6.0000e+00 4.5507e-01 9.9229e-02 2.4274e-03 5.0282e-03 -6.0000e+00 1.9346e-01 3.1094e-04 -1.2090e-03 6.8269e-05 1.0281e-04 -6.0000e+00 1.4127e-02 -3.4640e-02 1.7580e-04 12 8 8 10 0 0 5.03 23.53 0.68 -0.03464 -0.04373 101 16 1 5 0 511.310 26.21 20.00 23.53 28.79 4.3 1024.59 -166086 -129791 -139695 -115391 -157948 -135345 -141281 -180529 -183149 -121212 -139841 -79791 -33329 -102289 -87581 -17994 -53236 -54526 11408 -53665 14953 -5875 -25648 -19749 -21163 -8352 -602 8653 -32471 -46798 -9669 -19943 5763 -3777 -1594 17913 -17451 4198 8480 -11558 1889 3187 4476 9215 4845 13744 6829 8628 6321 8605 2201 4504 8547 13532 4209 6859 5046 3208 2740 1304 3081 3368 5636 5145 2874 2838 240 1623 1662 5334 2997 3532 1991 -335 -119 -1132 -4166 -4075 -3524 -2944 -1745 -4330 -1160 -780 -107 -994 931 1282 1832 311 -354 -818 -1354 -2049 -1791 -517 -103 345 51 -774 -1154 -2320 -993 -1623 -1259 -1463 -337 -723 523 1159 935 654 134 -175 -468 -66 17 453 153 669 631 1201 1459 655 545 -266 197 -17 -44 -14 -295 -537 -201 -164 -131 291 513 499 141 -63 -728 -900 -2360 -1528 -1985 -1288 -2533 -1676 -1950 -4104 -4795 -1870 -2781 -972 -342 -2649 -2444 -301 -1450 -1668 196 -1869 270 -132 -733 -573 -671 -246 -17 216 -1211 -2142 -354 -957 246 -191 -79 728 -1099 249 585 -1164 189 341 498 1006 561 1485 808 1034 813 1160 350 780 1565 2565 934 1550 1194 774 651 311 747 889 1636 1668 1004 988 85 592 665 2121 1344 1651 939 -154 -50 -480 -1716 -1704 -1480 -1441 -984 -2856 -816 -586 -79 -783 755 1065 1512 251 -271 -646 -1046 -1652 -1469 -483 -110 387 62 -945 -1338 -2495 -1066 -1763 -1444 -1647 -399 -927 727 1653 1466 1082 223 -284 -727 -99 26 714 255 1145 1075 1976 2315 1009 808 -385 301 -25 -74 -24 -563 -1100 -407 -353 -301 655 1182 1167 327 -141 -1648 -1944 SS 20240613T111153.6Z 8930.466593 85 1 51.61 2 74.46 72.44 132.73 9.19 0.00 1 0.00 1 0 17 1.596e-01 8.769e-03 1.253e-02 8.689e-04 5.051510e-01 4.765603e-04 6.011386e-03 -6.000000e+00 9.882740e-02 232.83 -2.00 3.48 -2.00 319.54 0.00e+00 1.887807e-03 1.360299e-04 1.721158e-03 -6.000000e+00 4.330982e-03 287.52 -2.00 20.00 -2.00 318.80 0.00e+00 3.663 0.001 302.00 328.00 3 1.4939e+00 1.3582e-03 4.5926e-02 -6.0000e+00 2.4800e-01 7.2313e-03 1.6016e-03 2.8096e-02 -6.0000e+00 2.6631e-01 -6.2647e-02 1.2590e-03 1.3668e-02 -6.0000e+00 1.5852e-01 1.8008e-02 6.5590e-04 3.7138e-03 -6.0000e+00 6.7385e-02 1.7115e-03 -1.2196e-03 2.6614e-05 5.1746e-05 -6.0000e+00 4.9212e-03 -3.4409e-02 1.6466e-04 11 9 0 11 8 0 97.90 23.53 0.46 -0.03441 -0.04357 288 47 1 5 0 179.190 26.32 20.01 23.53 30.48 4.2 1034.28 -54931 -58925 -40351 -44928 -45147 -66523 -49622 -60586 -51852 -47458 -48624 -35860 -30662 -25804 -22993 -5554 -13441 -6691 -4488 -5885 -1077 -4224 -4020 -6020 -2625 -4814 -2736 -6602 -7141 -10261 -3616 -4437 -1261 -2964 -6234 -4249 -7435 -1460 -472 -1081 469 1630 869 1483 2367 2008 2189 1036 1345 562 1551 1681 2953 2647 1777 1784 1034 973 305 480 1096 2221 2643 2750 1702 772 202 49 1052 1646 1438 1149 1213 214 -126 -1539 -2372 -2929 -2953 -2202 -1966 -2210 -1744 -1343 -719 -100 652 1180 1056 595 428 -336 -742 -1310 -786 -217 312 555 201 -390 -1068 -1566 -1085 -812 -1137 -1053 -665 -140 461 888 849 608 275 -91 -193 -114 252 392 552 509 548 828 769 517 361 -100 -157 126 43 -69 -284 -515 -474 -106 40 92 417 388 124 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