File name: Pandora133s1_Heidelberg_20240629_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T130911.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora133_OF_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240629_L1_smca1c4d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20240629 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: None First and last pixel inside fitting window: 227 368 Nominal wavelengths inside fitting window [nm]: 305.1331 305.2741 305.4152 305.5562 305.6973 305.8383 305.9793 306.1203 306.2613 306.4023 306.5432 306.6842 306.8251 306.9661 307.1070 307.2479 307.3888 307.5297 307.6705 307.8114 307.9523 308.0931 308.2339 308.3747 308.5155 308.6563 308.7971 308.9379 309.0787 309.2194 309.3601 309.5009 309.6416 309.7823 309.9230 310.0636 310.2043 310.3450 310.4856 310.6262 310.7669 310.9075 311.0481 311.1886 311.3292 311.4698 311.6103 311.7509 311.8914 312.0319 312.1724 312.3129 312.4534 312.5939 312.7343 312.8748 313.0152 313.1556 313.2960 313.4364 313.5768 313.7172 313.8576 313.9979 314.1383 314.2786 314.4189 314.5592 314.6995 314.8398 314.9801 315.1203 315.2606 315.4008 315.5410 315.6813 315.8215 315.9617 316.1018 316.2420 316.3822 316.5223 316.6624 316.8026 316.9427 317.0828 317.2229 317.3629 317.5030 317.6431 317.7831 317.9231 318.0631 318.2031 318.3431 318.4831 318.6231 318.7631 318.9030 319.0429 319.1829 319.3228 319.4627 319.6026 319.7424 319.8823 320.0222 320.1620 320.3018 320.4417 320.5815 320.7213 320.8611 321.0008 321.1406 321.2803 321.4201 321.5598 321.6995 321.8392 321.9789 322.1186 322.2583 322.3979 322.5376 322.6772 322.8168 322.9564 323.0960 323.2356 323.3752 323.5148 323.6543 323.7939 323.9334 324.0729 324.2124 324.3519 324.4914 324.6309 324.7703 324.9098 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 20240629T054442.7Z 8946.239383 210 1 14.34 2 70.10 77.22 45.23 181.98 0.00 1 0.00 1 0 17 9.930e-02 1.026e-02 7.848e-02 6.235e-03 4.147285e-01 3.247870e-03 5.199121e-03 -6.000000e+00 5.828815e-02 233.46 -2.00 3.74 -2.00 319.23 0.00e+00 1.248354e-03 8.017962e-04 8.292110e-04 -6.000000e+00 2.511483e-03 282.27 -2.00 20.00 -2.00 318.53 0.00e+00 2.906 0.000 302.00 328.00 3 5.1309e+00 9.1068e-03 3.7380e-02 -6.0000e+00 1.4685e-01 3.9678e-02 1.0531e-02 2.3830e-02 -6.0000e+00 1.5866e-01 -1.9604e-02 7.8630e-03 1.1661e-02 -6.0000e+00 9.4009e-02 1.1676e-05 4.1220e-03 3.2354e-03 -6.0000e+00 3.9716e-02 1.0594e-04 -1.3805e-03 1.8253e-04 3.5887e-05 -6.0000e+00 2.7214e-03 1.1362e-02 0.0000e+00 12 9 9 12 1 1 93.83 23.23 0.30 0.01136 0.00099 4 5 1 8 0 2865.710 20.01 23.23 26.78 26.94 27.26 1.5 913.03 -29898 713 -3400 -771 -10170 81228 -37435 -10006 -12444 -31514 -31658 28114 1764 7843 8414 7668 -3415 4071 -2065 -184 -8895 -8245 9730 -6694 4114 1034 -4201 3153 2023 -17300 5691 3138 -2884 -6836 -2942 3396 -2144 -5599 -818 -5134 1893 -866 3976 -1381 905 852 -971 -2169 -2208 3520 5744 1988 1177 -1315 1438 -270 296 1778 1818 -1308 1945 1587 2281 1675 488 1130 -2019 -1876 1672 2187 1173 2337 1702 -321 -53 -2582 -2031 -4034 -1681 -2761 -914 -142 -1788 -1650 356 829 176 757 2050 -842 1120 -533 -1409 -491 -833 417 795 193 135 -489 -90 -2433 -436 -1056 -2562 100 123 -1107 1192 785 798 -389 224 -446 -111 699 -139 230 475 -96 900 466 597 -25 1363 -520 219 468 155 320 -952 -573 -96 149 -148 -294 1069 47 53 -427 -311 -497 -978 19 -95 -19 -259 906 -1414 -331 -462 -1449 -1495 862 82 413 512 520 -272 324 -183 -17 -879 -828 871 -749 436 118 -493 325 208 -2327 685 434 -459 -1109 -439 505 -383 -1224 -203 -1504 554 -273 1228 -449 293 277 -319 -725 -751 1202 2083 801 509 -612 671 -131 144 843 853 -637 979 869 1346 1044 296 651 -1180 -1131 1082 1557 884 1765 1262 -230 -35 -1610 -1205 -2505 -1138 -2104 -760 -125 -1675 -1620 366 885 195 846 2225 -891 1099 -501 -1297 -467 -862 468 978 254 180 -632 -110 -2828 -497 -1276 -3285 130 167 -1582 1765 1231 1292 -631 350 -671 -159 987 -203 350 752 -154 1431 728 917 -37 1949 -729 305 686 243 523 -1630 -1003 -173 277 -287 -583 2136 96 106 -830 -588 -922 SS 20240629T054948.7Z 8946.242925 212 1 49.69 2 69.29 78.12 45.25 183.73 0.00 1 0.00 1 0 17 4.033e-02 6.754e-03 4.098e-03 4.418e-04 4.009537e-01 2.301688e-04 4.979184e-03 -6.000000e+00 2.370481e-02 233.46 -2.00 3.74 -2.00 319.11 0.00e+00 1.219286e-03 5.450726e-05 6.779766e-04 -6.000000e+00 1.019677e-03 282.28 -2.00 20.00 -2.00 318.40 0.00e+00 2.800 0.000 302.00 328.00 3 1.5063e+00 6.4282e-04 3.5964e-02 -6.0000e+00 5.9724e-02 -1.8784e-02 7.4042e-04 2.2791e-02 -6.0000e+00 6.4503e-02 -1.0083e-02 5.4386e-04 1.1250e-02 -6.0000e+00 3.8219e-02 -1.1535e-03 2.8511e-04 3.2463e-03 -6.0000e+00 1.6168e-02 4.6202e-03 -2.8534e-04 1.2923e-05 3.4769e-05 -6.0000e+00 1.1052e-03 2.5225e-03 0.0000e+00 11 8 0 10 0 0 99.27 23.25 0.14 0.00252 0.00038 844 224 2 8 0 56.080 20.01 23.25 27.02 26.94 27.26 1.5 914.32 -10507 -9656 -11438 -14346 -18507 -16835 -13001 -12791 -9831 -11521 -12241 -8718 -6450 -3134 -823 -1266 -404 -154 -330 109 -1505 -1109 -131 -1377 -1414 -1331 -2919 -3997 -3339 -1098 -492 978 116 -3878 -5077 -3720 -3268 -980 -30 -277 -378 201 92 151 332 330 -195 -219 -571 861 947 990 1429 967 1027 1315 474 196 -59 495 1439 2094 2749 2052 -80 156 -1046 -30 1291 843 900 861 520 299 -546 -1282 -2307 -1657 -1280 -1469 -1192 -1714 -2041 -1083 -345 125 430 1031 937 588 656 -466 -746 -280 -338 -8 901 556 23 -286 -1004 -1512 -609 -547 -1292 -831 -724 -332 476 696 723 291 209 -237 -81 80 83 396 514 -54 245 548 526 462 474 -468 563 482 -40 -31 -388 -444 -416 32 10 -99 602 297 -37 -49 -232 -824 -328 -325 -394 -462 -576 -534 -441 -490 -404 -497 -545 -425 -369 -188 -57 -96 -33 -13 -30 10 -144 -107 -13 -153 -165 -161 -350 -455 -372 -130 -65 142 19 -632 -795 -610 -612 -215 -8 -84 -122 68 32 53 117 117 -69 -78 -206 325 359 404 622 448 490 643 236 96 -29 243 745 1187 1703 1343 -51 94 -626 -18 887 603 686 666 391 212 -382 -817 -1408 -1037 -903 -1100 -1003 -1590 -1863 -1043 -355 136 484 1171 1041 613 629 -452 -698 -273 -341 -9 1070 725 30 -362 -1267 -1766 -697 -673 -1596 -1071 -986 -479 688 1084 1175 470 322 -364 -116 113 121 613 795 -87 384 836 826 689 676 -645 764 703 -63 -50 -659 -779 -758 57 20 -197 1213 608 -75 -94 -428 -1481 SS 20240629T060036.9Z 8946.250427 214 1 50.11 2 67.57 80.04 45.37 187.44 0.00 1 0.00 1 0 17 3.023e-02 6.766e-03 2.585e-03 3.530e-04 3.733382e-01 1.829548e-04 4.657016e-03 -6.000000e+00 1.776544e-02 233.46 -2.00 3.74 -2.00 318.82 0.00e+00 1.121279e-03 3.975855e-05 5.350745e-04 -6.000000e+00 7.641484e-04 282.28 -2.00 20.00 -2.00 318.10 0.00e+00 2.598 0.000 302.00 328.00 3 1.3090e+00 5.0515e-04 3.3399e-02 -6.0000e+00 4.4760e-02 -1.8100e-02 5.7729e-04 2.1127e-02 -6.0000e+00 4.8341e-02 -7.8428e-03 4.0362e-04 1.0351e-02 -6.0000e+00 2.8642e-02 -1.4462e-03 2.1062e-04 2.9512e-03 -6.0000e+00 1.2118e-02 7.0533e-03 -2.6524e-04 1.0355e-05 3.1606e-05 -6.0000e+00 8.2822e-04 2.0634e-03 0.0000e+00 11 9 0 11 8 0 99.30 23.28 0.17 0.00206 0.00007 1160 308 2 8 0 40.800 20.02 23.28 28.02 26.94 27.26 1.5 923.60 -7475 -4125 -7316 -11738 -12727 -11636 -11040 -6953 -8348 -8358 -11397 -6840 -4789 -1779 -360 -508 -166 476 -23 1116 -1289 130 -3 -447 -1038 -65 -2364 -3175 -2923 -645 -660 1381 172 -3775 -4640 -3275 -3042 -598 -12 -40 -511 201 -256 209 347 303 -369 -175 -708 944 840 1098 1360 1138 970 1238 440 303 8 624 1386 2144 2543 1992 -128 129 -1102 -60 1130 896 765 728 373 344 -616 -1085 -2183 -1596 -1334 -1419 -1237 -1719 -2122 -982 -422 27 328 988 820 664 514 -402 -589 -163 -267 37 889 634 -61 -177 -994 -1435 -566 -550 -1266 -811 -755 -328 444 719 651 290 276 -272 -124 129 -12 403 522 -44 261 519 612 502 438 -466 594 521 1 10 -409 -446 -394 39 42 -115 616 259 -26 -72 -243 -806 -308 -178 -326 -495 -501 -468 -489 -334 -448 -461 -659 -426 -315 -135 -31 -48 -17 51 -3 129 -153 15 0 -60 -148 -10 -345 -437 -393 -91 -104 236 32 -723 -848 -625 -664 -153 -4 -14 -176 72 -94 77 129 113 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