File name: Pandora21s1_Bremen_20250215_L2Fit_fout2c7d20231020p1-8.txt File generation date: 20250215T234217.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v7d20231020.txt Level 1 file used: Pandora21s1_Bremen_20250215_L1_smca1c7d20231020p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20250215 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 287 429 Nominal wavelengths inside fitting window [nm]: 305.1299 305.2716 305.4132 305.5548 305.6963 305.8379 305.9793 306.1208 306.2622 306.4035 306.5448 306.6861 306.8274 306.9686 307.1098 307.2510 307.3921 307.5332 307.6742 307.8153 307.9563 308.0972 308.2382 308.3791 308.5199 308.6608 308.8016 308.9424 309.0831 309.2239 309.3646 309.5053 309.6459 309.7865 309.9271 310.0677 310.2082 310.3487 310.4892 310.6297 310.7701 310.9106 311.0509 311.1913 311.3317 311.4720 311.6123 311.7525 311.8928 312.0330 312.1732 312.3134 312.4536 312.5937 312.7338 312.8739 313.0140 313.1540 313.2941 313.4341 313.5741 313.7140 313.8540 313.9939 314.1338 314.2737 314.4136 314.5534 314.6933 314.8331 314.9729 315.1127 315.2524 315.3922 315.5319 315.6716 315.8113 315.9510 316.0906 316.2303 316.3699 316.5095 316.6491 316.7886 316.9282 317.0677 317.2073 317.3468 317.4863 317.6257 317.7652 317.9046 318.0441 318.1835 318.3229 318.4623 318.6016 318.7410 318.8803 319.0196 319.1589 319.2982 319.4375 319.5768 319.7160 319.8553 319.9945 320.1337 320.2729 320.4121 320.5513 320.6904 320.8296 320.9687 321.1078 321.2469 321.3860 321.5251 321.6641 321.8032 321.9422 322.0812 322.2202 322.3592 322.4982 322.6372 322.7762 322.9151 323.0540 323.1930 323.3319 323.4708 323.6096 323.7485 323.8874 324.0262 324.1651 324.3039 324.4427 324.5815 324.7203 324.8591 324.9978 --------------------------------------------------------------------------------------- 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 20250215T113037.0Z 9177.479595 404 1 19.26 2 65.60 177.79 121.33 321.27 0.00 1 0.00 1 0 17 3.449e-02 6.789e-03 2.390e-02 4.346e-03 3.486101e-01 2.201294e-03 4.593832e-03 -6.000000e+00 1.999468e-02 223.51 -2.00 3.88 -2.00 318.27 0.00e+00 7.811459e-04 3.873835e-04 1.188375e-04 -6.000000e+00 8.252951e-04 265.93 -2.00 20.00 -2.00 317.95 0.00e+00 2.405 0.000 302.00 328.00 3 5.1048e+00 5.8437e-03 3.0673e-02 -6.0000e+00 4.9515e-02 9.3534e-02 6.6030e-03 1.9335e-02 -6.0000e+00 5.4204e-02 -1.6262e-02 4.4485e-03 9.7471e-03 -6.0000e+00 3.1967e-02 -3.2559e-03 2.3210e-03 2.8351e-03 -6.0000e+00 1.3175e-02 1.8766e-04 -7.0878e-04 1.3510e-04 3.4737e-05 -6.0000e+00 1.0363e-03 -9.1028e-03 0.0000e+00 12 9 1 12 9 1 98.03 22.83 0.25 -0.00910 -0.01443 5 3 1 5 0 3207.523 25.90 20.00 22.83 10.48 35.1 1034.83 -3557 -3774 -19269 -20492 9693 -14054 6409 -874 -2293 -3825 -5637 10553 -6539 5223 -3725 1220 -2338 -1763 4269 559 1361 -4964 -1071 28 1670 -2045 6351 -598 681 2132 -662 3095 -2051 -1381 904 -1056 -3409 2503 -865 -623 -170 -1582 -77 -2709 2031 -1433 1191 -1196 143 1779 -89 1843 86 1347 -291 1754 -603 1391 -116 905 79 1358 1657 -683 540 1278 1293 -123 2080 -377 1057 208 -883 -395 -1737 156 -331 -123 -1031 139 -1149 -1583 -821 -943 -461 -525 -114 -256 -66 6 533 320 276 368 164 1278 643 372 -1084 535 -385 -245 215 -1277 -536 -858 -33 -1 -190 19 269 -204 220 -336 30 1021 -8 -232 -125 -179 471 240 56 234 317 415 1616 252 931 -137 -295 -115 -155 17 -488 344 74 286 -527 -30 -590 167 -258 -198 -227 -1341 -1354 451 -820 335 -55 -158 -277 -428 752 -634 528 -467 159 -335 -264 630 88 215 -842 -183 5 309 -400 1124 -108 119 382 -133 657 -485 -323 202 -248 -916 747 -310 -249 -73 -710 -35 -1263 911 -662 533 -544 65 825 -45 968 49 780 -175 1061 -374 841 -70 548 50 918 1194 -519 399 895 877 -87 1554 -312 913 184 -774 -329 -1366 112 -224 -84 -764 113 -1033 -1532 -829 -995 -510 -608 -136 -309 -79 7 572 323 268 362 173 1448 794 489 -1476 705 -484 -290 250 -1546 -678 -1129 -45 -2 -281 29 428 -326 342 -500 43 1394 -12 -334 -188 -276 725 364 83 338 442 559 2118 342 1325 -207 -461 -185 -253 28 -857 618 136 527 -974 -54 -1039 286 -439 SS 20250215T113533.2Z 9177.483023 408 1 15.01 2 65.58 179.12 121.79 322.56 0.00 1 0.00 1 0 25 3.268e-02 7.459e-03 2.722e-02 5.316e-03 3.533696e-01 2.693371e-03 4.672943e-03 -6.000000e+00 1.894470e-02 223.51 -2.00 3.88 -2.00 318.13 0.00e+00 9.706663e-04 4.568248e-04 1.153560e-04 -6.000000e+00 7.820643e-04 265.93 -2.00 20.00 -2.00 317.81 0.00e+00 2.403 0.000 302.00 328.00 3 5.2315e+00 7.1262e-03 3.0837e-02 -6.0000e+00 4.6915e-02 1.1510e-01 8.0486e-03 1.9608e-02 -6.0000e+00 5.1361e-02 -3.1889e-02 5.3402e-03 9.8868e-03 -6.0000e+00 3.0290e-02 3.6719e-03 2.7707e-03 2.8706e-03 -6.0000e+00 1.2481e-02 1.6307e-04 -1.1669e-03 1.6432e-04 3.5293e-05 -6.0000e+00 9.8211e-04 -7.6499e-03 0.0000e+00 12 9 1 12 9 1 98.16 22.83 0.23 -0.00765 -0.01642 3 3 1 5 0 3747.906 25.79 20.00 22.83 10.75 35.3 1035.75 -3016 -12054 10242 -6441 -1861 8832 -14031 -1418 -10984 -12888 4124 3014 -9809 -5272 -2893 5861 3326 -7551 8738 14 578 153 735 -3672 4228 71 -6210 6346 -239 -2909 2653 4162 -2617 -665 471 -4350 1655 -3114 12 -1106 -900 1371 1868 -1306 1146 -741 -146 -1524 1531 -177 1133 1220 -362 1151 1274 1484 335 961 -32 2138 -152 461 973 -718 1324 -324 -43 -99 -90 1222 59 -592 -1650 -519 920 -500 247 -73 -390 -800 -97 -267 -1084 -958 -866 -704 -405 243 -89 -913 -65 1666 1386 648 729 810 718 150 356 -737 -274 132 517 -301 -1262 -606 -333 -208 -554 198 293 577 -957 -252 -561 562 -298 499 -972 -418 126 407 660 772 27 899 1486 308 39 -360 107 -6 217 81 173 895 307 -324 -551 -593 -45 -272 -398 -183 -857 591 -408 -105 453 -966 -96 -886 -1096 308 249 -1057 -634 -387 790 487 -1284 1330 2 99 26 132 -725 814 14 -1313 1144 -45 -581 549 930 -661 -164 112 -1112 448 -1027 4 -464 -403 625 866 -626 539 -354 -69 -724 715 -87 584 667 -211 690 783 928 213 601 -20 1318 -100 321 721 -559 996 -236 -31 -71 -70 1019 52 -535 -1479 -442 723 -367 171 -51 -294 -667 -88 -259 -1108 -1021 -967 -819 -485 293 -107 -1057 -70 1683 1350 644 769 926 889 198 480 -982 -346 156 601 -363 -1604 -795 -451 -293 -815 304 463 913 -1491 -374 -794 770 -413 711 -1457 -642 194 614 973 1104 38 1206 1947 417 56 -541 165 -9 351 134 300 1582 553 -591 -1004 -1059 -79 -461 -670 SS 20250215T114510.5Z 9177.489705 413 1 7.09 2 65.59 181.70 122.65 325.11 0.00 1 0.00 1 0 17 6.825e-02 1.060e-02 3.790e-02 8.041e-03 3.504067e-01 4.078678e-03 4.613626e-03 -6.000000e+00 3.957468e-02 223.51 -2.00 3.88 -2.00 317.84 0.00e+00 4.435219e-04 6.414615e-04 1.075871e-04 -6.000000e+00 1.633314e-03 265.93 -2.00 20.00 -2.00 317.52 0.00e+00 2.404 0.000 302.00 328.00 3 5.1006e+00 1.0744e-02 3.0683e-02 -6.0000e+00 9.8005e-02 9.7059e-02 1.2110e-02 1.9354e-02 -6.0000e+00 1.0728e-01 -2.8626e-02 7.7981e-03 9.7469e-03 -6.0000e+00 6.3269e-02 4.7343e-03 3.9944e-03 2.8265e-03 -6.0000e+00 2.6078e-02 1.8843e-04 -1.0078e-03 2.4668e-04 3.4067e-05 -6.0000e+00 2.0510e-03 -9.9451e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.82 0.30 -0.00995 -0.01752 1 3 1 5 0 3537.972 25.90 20.00 22.82 11.07 35.3 1037.21 38823 -19183 15271 -25862 34586 -26312 -3619 -20940 13169 -45 -2514 -826 -11893 -1748 -18387 3953 -162 7565 -1784 803 4727 3000 12370 696 -1029 -2487 2790 -133 7039 4282 3350 -1229 -2062 811 -6837 2704 -1855 -853 -2557 88 512 -784 -1139 -624 3016 -3005 739 -1219 1850 844 4706 1584 1908 1958 643 -628 -1240 1746 -845 1081 810 2204 533 389 947 -350 -34 460 -162 -224 -236 928 -1152 -1336 -373 -1249 -821 848 -1581 -1469 -2000 -971 -949 81 337 1202 -343 -654 -1479 -972 383 959 1711 2692 -801 111 783 -1022 -1156 74 -622 -346 1625 115 -44 -249 912 -1175 396 -177 348 -897 228 -1 1326 -296 -168 942 301 -481 -326 172 302 592 242 633 1008 -473 -829 -752 881 13 101 500 470 -130 -100 387 -1036 -52 -478 534 -600 1848 -1682 973 -2268 1617 -2170 -262 -1986 987 -4 -233 -82 -1504 -233 -3233 618 -28 1269 -338 153 879 573 2259 149 -236 -587 616 -29 1400 903 774 -322 -577 220 -1933 724 -575 -304 -1066 40 246 -394 -585 -320 1509 -1575 372 -622 928 441 2522 921 1161 1235 420 -422 -842 1149 -561 712 556 1591 414 312 745 -266 -25 345 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