File name: Pandora32s1_GreenbeltMD_20240805_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240806T075100.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20240805_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20240805 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: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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 20240805T121507.1Z 8983.510499 85 1 48.21 2 67.70 86.06 78.78 78.76 0.00 1 0.00 1 0 17 3.274e-02 6.456e-03 1.744e-02 2.525e-03 3.609444e-01 1.292873e-03 4.218674e-03 -6.000000e+00 1.901060e-02 231.94 -2.00 3.47 -2.00 318.54 0.00e+00 1.011743e-03 2.682891e-04 3.109363e-04 -6.000000e+00 8.522105e-04 290.71 -2.00 20.00 -2.00 317.67 0.00e+00 2.613 0.000 302.00 328.00 3 4.6709e+00 3.5476e-03 3.2138e-02 -6.0000e+00 4.7596e-02 -1.3005e-02 4.0577e-03 1.8847e-02 -6.0000e+00 5.1364e-02 -3.1199e-03 2.7137e-03 9.1797e-03 -6.0000e+00 3.0651e-02 -5.1686e-03 1.4188e-03 2.6046e-03 -6.0000e+00 1.3081e-02 2.3889e-04 -2.1292e-04 7.1996e-05 2.7028e-05 -6.0000e+00 8.7264e-04 2.9803e-03 2.7088e-05 11 8 0 10 0 0 99.88 22.12 0.36 0.00298 0.00138 21 5 1 5 0 2295.500 26.32 20.00 22.12 31.62 4.9 1044.73 4762 -17818 -4856 2889 -14284 -8391 2578 4721 -7137 -9091 -2832 -15274 6046 -5500 -856 -4387 -31 3225 1566 8866 -2821 -938 2412 1620 3207 -764 4584 -3906 -389 -1509 2086 2024 -427 -1936 -5338 -2765 -5396 -3230 -2822 -1713 -1029 -820 882 506 820 -678 600 1088 -1146 -115 1101 2057 744 1046 1845 345 241 321 516 294 187 1826 1895 2421 606 95 -209 -392 277 215 26 -514 580 1097 -817 -592 -1360 -2022 -1166 -1238 -971 -1064 -1240 -1354 -101 -194 -455 595 -213 1277 488 1447 -42 -394 715 353 98 461 350 -272 -665 -1155 -998 -364 -892 -945 -541 -445 -68 574 280 509 431 423 172 306 32 50 -15 -151 -11 -5 234 415 281 -293 -176 754 268 275 138 -394 -281 -45 494 7 -221 -190 404 50 42 -191 -670 176 -938 -242 133 -705 -365 104 209 -400 -563 -169 -1044 378 -451 -79 -478 -3 375 196 1083 -399 -131 330 235 490 -128 745 -667 -61 -235 333 358 -86 -420 -1167 -565 -1181 -791 -818 -576 -382 -323 355 208 339 -286 251 449 -480 -48 479 955 372 550 1005 195 139 187 296 167 108 1095 1227 1675 439 67 -139 -256 187 159 21 -437 495 913 -658 -443 -945 -1349 -789 -923 -801 -956 -1189 -1353 -104 -211 -519 694 -252 1471 541 1504 -41 -379 706 377 114 578 465 -367 -872 -1430 -1169 -425 -1101 -1223 -721 -613 -97 855 439 816 687 652 253 430 45 71 -22 -235 -17 -8 362 626 412 -420 -243 1030 384 417 219 -646 -468 -77 870 14 -414 -362 770 94 77 -344 -1186 SS 20240805T122142.9Z 8983.515080 88 1 48.80 2 66.42 87.07 77.57 79.73 0.00 1 0.00 1 0 17 3.829e-02 6.529e-03 1.867e-02 2.883e-03 3.457307e-01 1.481501e-03 4.012784e-03 -6.000000e+00 2.226685e-02 231.94 -2.00 3.47 -2.00 318.61 0.00e+00 7.696097e-04 3.112300e-04 2.020356e-04 -6.000000e+00 9.994024e-04 290.71 -2.00 20.00 -2.00 317.74 0.00e+00 2.481 0.000 302.00 328.00 3 4.9157e+00 4.0749e-03 3.0582e-02 -6.0000e+00 5.5750e-02 -1.0130e-02 4.6667e-03 1.7989e-02 -6.0000e+00 6.0177e-02 -2.7214e-03 3.1170e-03 8.7619e-03 -6.0000e+00 3.5882e-02 -4.4490e-03 1.6266e-03 2.5453e-03 -6.0000e+00 1.5413e-02 2.1771e-04 8.2041e-04 8.3274e-05 2.5990e-05 -6.0000e+00 1.0294e-03 1.0299e-03 2.1289e-04 11 8 0 10 0 0 99.97 22.15 0.50 0.00103 0.00719 39 9 1 5 0 1251.150 26.41 20.01 22.15 32.06 4.9 1047.32 900000 -6762 -5328 7118 -30140 -2396 7708 6039 10268 -7947 -6140 -15837 3781 2925 1090 1560 -3146 2449 781 7571 -1159 -201 5188 -7719 471 -4516 6274 -1106 -261 -2960 -1896 -848 -3210 302 -2523 -868 -3360 -4806 -1221 957 154 -365 -1964 1315 68 1360 206 1999 -885 -2390 -94 885 1609 1890 1493 1150 -353 36 146 1391 458 2126 1878 1925 1042 -570 106 63 -327 574 -577 -323 -136 807 -214 -642 -1196 -1300 -876 -687 -831 -773 -1148 -1744 -852 -342 -881 291 666 740 468 1337 330 295 517 154 -394 1157 96 -281 -71 -1038 -959 -579 -502 -1165 -271 -615 111 532 220 609 43 439 253 168 -168 -135 498 141 -509 -345 135 270 211 -3 78 733 296 120 250 -451 -245 256 404 162 30 -223 5 -84 152 -148 -632 900000 -339 -281 331 -1810 -103 311 275 511 -507 -392 -1124 248 227 100 162 -370 288 98 936 -161 -28 689 -1216 73 -778 998 -183 -40 -460 -307 -151 -644 63 -524 -169 -701 -1160 -340 307 56 -140 -793 527 28 552 84 796 -360 -992 -40 403 775 960 793 628 -200 20 82 761 257 1239 1189 1312 738 -395 68 39 -214 414 -460 -270 -115 661 -168 -468 -804 -832 -570 -493 -666 -677 -1080 -1718 -875 -369 -1001 338 779 852 515 1373 319 276 500 161 -453 1431 127 -379 -92 -1271 -1109 -670 -613 -1504 -359 -847 159 797 347 983 69 678 370 235 -231 -191 734 220 -812 -547 209 408 309 -5 107 990 419 181 396 -739 -407 436 716 299 56 -428 9 -161 283 -269 -1122 SS 20240805T122734.5Z 8983.519149 91 1 48.11 2 65.29 87.97 76.49 80.59 0.00 1 0.00 1 0 17 1.578e-02 5.629e-03 5.997e-03 1.339e-03 3.273725e-01 6.849056e-04 3.836313e-03 -6.000000e+00 9.165855e-03 231.94 -2.00 3.47 -2.00 317.86 0.00e+00 5.260833e-04 1.169932e-04 2.132232e-04 -6.000000e+00 4.108683e-04 290.71 -2.00 20.00 -2.00 316.99 0.00e+00 2.375 0.000 302.00 328.00 3 3.8382e+00 1.8426e-03 2.9156e-02 -6.0000e+00 2.2948e-02 -2.3301e-02 2.0824e-03 1.7010e-02 -6.0000e+00 2.4764e-02 -4.2145e-03 1.2974e-03 8.2340e-03 -6.0000e+00 1.4778e-02 -2.3933e-03 6.6130e-04 2.2597e-03 -6.0000e+00 6.3071e-03 7.2858e-04 -2.2173e-04 3.7817e-05 2.3749e-05 -6.0000e+00 4.2071e-04 2.9490e-03 3.8857e-05 10 0 0 10 0 0 85.46 22.18 0.37 0.00295 0.00128 47 11 1 5 0 1023.570 26.41 20.01 22.18 32.56 4.9 1050.31 -4433 -3846 -1143 -5221 -5275 -8329 -1260 -149 -1800 -3007 -5256 -4767 -1655 -2907 1175 -789 1366 497 1882 2520 770 -74 1581 -71 -614 601 1525 -1758 -813 -145 526 711 1485 -91 -2968 -1366 -4166 -1336 -1226 703 -391 -234 -678 -560 416 -33 -103 -249 -1092 -1091 359 804 387 1406 1133 514 968 -352 373 302 908 1274 1764 1860 726 -88 3 -76 370 955 559 159 379 -57 212 -328 -1100 -1513 -1280 -970 -1119 -1190 -1400 -1663 -805 -434 -242 553 352 716 448 1013 -176 28 315 156 310 441 414 -391 -462 -817 -869 -288 -730 -907 -584 -494 -88 396 516 449 440 310 -31 112 108 96 -16 239 -276 -11 242 336 368 311 41 516 301 69 173 -76 -496 129 105 42 43 86 223 -158 39 -303 -666 -294 -292 -90 -419 -383 -575 -83 -11 -153 -280 -509 -465 -173 -362 157 -122 224 86 340 472 152 -15 313 -15 -134 137 350 -402 -181 -31 118 168 385 -26 -834 -359 -1178 -424 -449 289 -183 -112 -338 -285 210 -17 -52 -125 -546 -547 186 450 225 858 725 327 630 -234 242 200 585 872 1269 1454 574 -70 2 -55 279 780 495 144 349 -51 185 -271 -823 -1105 -953 -778 -990 -1139 -1410 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