File name: Pandora21s1_Bremen_20221122_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T194853.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20221122_L1_smca1c6d20211128p1-8.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: 20221122 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: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20221122T102902.3Z 8361.436832 204 1 26.45 2 73.81 169.78 69.04 190.27 0.00 1 0.00 1 0 25 2.195e-01 1.142e-02 1.877e-01 7.485e-03 5.013775e-01 3.917678e-03 6.607881e-03 -6.000000e+00 1.277208e-01 220.50 -2.00 3.88 -2.00 320.00 0.00e+00 8.019261e-04 1.131488e-03 3.190617e-04 -6.000000e+00 5.500394e-03 270.06 -2.00 20.00 -2.00 319.72 0.00e+00 3.528 0.001 302.00 328.00 3 4.6573e+00 1.0877e-02 4.4723e-02 -6.0000e+00 3.1491e-01 9.0703e-02 1.2999e-02 2.8249e-02 -6.0000e+00 3.4366e-01 -1.4708e-02 1.2427e-02 1.5024e-02 -6.0000e+00 2.0277e-01 -4.1718e-03 6.6523e-03 4.7657e-03 -6.0000e+00 8.6015e-02 8.1391e-05 -1.1576e-03 2.3397e-04 6.2641e-05 -6.0000e+00 6.6427e-03 -6.0216e-03 0.0000e+00 12 9 9 12 9 1 99.97 22.13 0.18 -0.00602 -0.01472 7 3 1 5 0 3284.088 25.28 20.00 22.13 10.76 29.4 1005.62 17704 -14020 -79694 900000 -47280 7408 -86358 154836 -62069 900000 38995 -11811 109929 -22274 9561 -17599 17589 2622 32808 -9864 -8879 -14053 -6899 3563 -24114 2355 -14960 30014 -18122 7013 3057 4848 -9688 -8816 9846 -9235 -8283 -24048 4512 -6736 5375 7681 -4614 -796 -736 12066 -804 1431 -3180 1631 2467 1828 2543 -230 4765 1723 439 -2995 1117 2910 4782 2906 3606 2133 695 1162 -1919 2196 50 678 2823 -225 -1847 2447 928 -1569 -414 -1527 925 1309 -532 -823 -2142 -486 -1710 -1003 -3659 424 -235 664 -787 1630 1099 -13 2067 224 2697 323 -905 -833 491 -338 169 369 -545 -1605 -1136 -47 -1282 745 -365 535 8 52 421 796 704 -33 -634 -1930 -81 -934 196 -213 997 238 1679 2170 121 842 -4 340 -293 655 685 170 185 -336 -651 -937 241 -227 -126 156 -185 -1988 900000 -834 79 -2197 1130 -1585 900000 469 -239 897 -688 265 -720 581 107 1091 -507 -467 -786 -373 187 -1759 142 -1082 1410 -1297 406 202 359 -925 -895 836 -928 -876 -3402 583 -1146 921 1390 -985 -168 -157 2313 -176 310 -738 376 605 494 741 -74 1543 597 158 -1124 398 1003 1645 1084 1470 966 336 554 -912 1000 25 368 1653 -144 -1207 1491 537 -852 -205 -738 458 725 -342 -594 -1709 -406 -1523 -940 -3688 426 -239 657 -751 1426 912 -11 1757 214 2815 383 -1169 -1102 623 -402 187 397 -614 -1925 -1419 -61 -1780 1092 -580 885 13 85 655 1177 1020 -49 -984 -3157 -133 -1530 309 -329 1470 341 2299 2939 175 1316 -7 604 -542 1243 1360 353 396 -736 -1435 -2048 504 -458 -245 SS 20221122T103930.4Z 8361.444102 207 1 49.24 2 73.57 172.33 69.38 192.87 0.00 1 0.00 1 0 25 5.204e-02 5.214e-03 1.992e-02 8.627e-04 5.069955e-01 4.494067e-04 6.629269e-03 -6.000000e+00 3.025703e-02 220.50 -2.00 3.88 -2.00 320.06 0.00e+00 9.815005e-04 1.320872e-04 3.372235e-04 -6.000000e+00 1.246910e-03 270.06 -2.00 20.00 -2.00 319.78 0.00e+00 3.479 0.001 302.00 328.00 3 1.2878e+00 1.2500e-03 4.4536e-02 -6.0000e+00 7.4493e-02 4.0570e-02 1.5053e-03 2.8541e-02 -6.0000e+00 8.1263e-02 -5.6208e-03 1.4683e-03 1.5295e-02 -6.0000e+00 4.8022e-02 -7.7305e-03 7.8438e-04 4.8947e-03 -6.0000e+00 2.0312e-02 2.5314e-03 -8.2387e-04 2.6765e-05 6.3802e-05 -6.0000e+00 1.5584e-03 -6.0245e-03 0.0000e+00 10 0 0 10 0 0 99.60 22.15 0.16 -0.00602 -0.01222 561 110 1 5 0 87.277 25.28 20.00 22.15 11.03 29.6 1007.73 -22033 -5817 -16856 -5366 -31062 -7366 -30946 -13119 -15549 -3800 -5361 -8834 -959 -9661 -58 -8284 -1234 -6181 12 -2912 -1040 1019 172 1207 -4366 -358 -3216 -2590 -3016 1357 -143 1874 37 -2103 -956 -1960 340 -2207 -481 -1772 -1684 -1707 -1525 -1080 -835 -445 -1237 -496 -639 939 958 1292 1217 611 1142 512 676 -272 267 613 1494 1248 1423 820 229 918 528 1134 803 845 -123 -186 -356 -147 -163 217 407 436 925 -210 -332 -1017 -1347 -1074 -1017 -863 -645 -244 -83 168 378 829 1201 1579 1333 863 868 387 -331 -550 -302 -322 422 398 -589 -795 -755 -459 -166 -18 -98 -232 -268 96 446 834 798 404 -28 -709 -896 -443 -296 -265 165 110 860 1321 696 368 177 149 163 280 -35 -167 -63 -19 -390 -305 -69 -117 249 -255 -67 -231 -65 -456 -83 -467 -187 -257 -61 -92 -160 -19 -258 -2 -292 -45 -261 0 -135 -49 48 8 62 -259 -22 -204 -160 -183 81 -10 133 3 -190 -85 -174 31 -243 -63 -280 -302 -332 -311 -225 -176 -95 -268 -108 -143 216 237 350 361 185 364 171 232 -95 91 218 536 452 570 364 108 426 237 506 382 451 -73 -118 -228 -91 -94 113 193 201 445 -116 -212 -741 -1085 -922 -876 -791 -623 -244 -83 165 348 748 1013 1303 1169 803 918 464 -437 -710 -395 -387 463 425 -664 -956 -956 -612 -224 -26 -157 -395 -462 159 698 1226 1145 594 -43 -1167 -1509 -733 -474 -409 244 156 1226 1863 996 582 306 274 298 536 -71 -358 -139 -42 -852 -654 -148 -240 487 SS 20221122T104636.5Z 8361.449033 211 1 49.57 2 73.44 174.06 69.66 194.63 0.00 1 0.00 1 0 25 5.726e-02 5.313e-03 1.198e-02 5.463e-04 5.040698e-01 2.841597e-04 6.576151e-03 -6.000000e+00 3.329003e-02 220.50 -2.00 3.88 -2.00 319.95 0.00e+00 9.615631e-04 8.162429e-05 3.289252e-04 -6.000000e+00 1.371869e-03 270.06 -2.00 20.00 -2.00 319.67 0.00e+00 3.455 0.001 302.00 328.00 3 5.3704e-01 7.8805e-04 4.4196e-02 -6.0000e+00 8.1960e-02 3.9577e-02 9.4247e-04 2.8291e-02 -6.0000e+00 8.9407e-02 -1.0820e-02 9.0649e-04 1.5149e-02 -6.0000e+00 5.2835e-02 -5.4386e-03 4.8551e-04 4.8469e-03 -6.0000e+00 2.2349e-02 5.5240e-03 -8.1266e-04 1.6949e-05 6.1712e-05 -6.0000e+00 1.7145e-03 -6.3472e-03 0.0000e+00 10 0 0 10 0 0 97.09 22.15 0.20 -0.00635 -0.01245 968 190 1 5 0 49.708 25.28 20.00 22.15 11.76 30.2 1013.17 -13213 -25070 -12166 -23386 -9981 -32132 -17471 -20330 -12931 -13016 -17973 -6314 -12207 -1834 -6572 -2686 -6756 -1727 41 -2558 34 -2541 -26 -3389 190 -4498 -2502 -4398 -3236 -1266 -1274 1038 -1539 162 -2495 -718 -2025 -651 -1463 -1628 -1526 -2091 -753 -1420 -551 -1265 -164 -721 -368 558 684 1030 941 1194 497 1114 254 505 238 961 1345 1383 1584 654 444 497 909 870 1240 585 -30 -49 -316 -193 -209 422 483 729 498 -99 -453 -1026 -1342 -1279 -907 -981 -458 -398 -61 -97 540 870 1143 1479 1135 866 788 495 -464 -415 -306 -375 416 385 -654 -919 -736 -603 -13 -83 -165 -262 -174 49 344 766 788 511 -77 -631 -894 -366 -392 -212 133 150 943 1299 841 343 220 86 201 344 -21 -180 -105 6 -502 -201 -105 -59 146 -152 -345 -158 -335 -128 -458 -248 -307 -205 -225 -346 -118 -287 -48 -202 -93 -274 -73 2 -123 2 -128 -1 -190 11 -293 -163 -286 -203 -80 -89 82 -141 16 -247 -69 -210 -77 -197 -261 -278 -414 -155 -302 -118 -275 -36 -160 -83 130 172 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