File name: Pandora177s1_WestportCT_20230426_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T114154.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20230426_L1_smca1c5d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20230426 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: 218 359 Nominal wavelengths inside fitting window [nm]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20230426T194030.8Z 8516.819801 24 1 48.60 2 45.88 245.74 37.46 100.49 0.00 1 0.00 1 0 17 1.436e-02 9.328e-03 1.617e-03 5.259e-04 2.531179e-01 2.787970e-04 3.070095e-03 -6.000000e+00 8.690166e-03 229.52 -2.00 3.51 -2.00 317.26 0.00e+00 9.247444e-04 3.894874e-05 2.795492e-04 -6.000000e+00 3.751549e-04 281.46 -2.00 20.00 -2.00 316.58 0.00e+00 1.434 0.000 302.00 328.00 3 2.6680e+00 7.3333e-04 1.9640e-02 -6.0000e+00 2.1691e-02 1.4701e-02 8.1695e-04 1.3099e-02 -6.0000e+00 2.3355e-02 -1.6803e-03 4.9184e-04 6.4578e-03 -6.0000e+00 1.3881e-02 -6.7598e-03 2.4355e-04 1.8486e-03 -6.0000e+00 5.9721e-03 6.2234e-03 -1.1059e-03 1.6163e-05 2.1684e-05 -6.0000e+00 4.2142e-04 -5.7067e-02 0.0000e+00 11 8 0 10 0 0 94.97 24.05 0.31 -0.05707 -0.06538 248 57 1 5 0 195.930 27.26 20.00 24.05 20.07 20.6 992.63 1010 -266 -1164 -2607 -5595 -2897 -1587 -26 518 -2569 -4616 -4410 -1579 -755 511 247 -433 1343 1284 1794 1022 4 1043 1757 1549 689 -286 -1149 -515 -789 1354 2201 2043 -448 -4681 -3740 -3360 -1347 -29 -748 -1246 -889 -268 -455 187 485 -188 -449 -831 -391 658 990 817 1143 403 1255 949 108 -478 -83 512 1577 2306 2163 977 -1154 -1083 -1370 1040 1827 623 1017 820 1066 620 -405 -1362 -2069 -1319 -1060 -1943 -2040 -2631 -2352 -816 -392 689 769 1039 1241 702 96 -1266 -410 -98 -37 272 1174 1000 -117 -814 -1638 -941 -59 -756 -1938 -1177 -1273 -260 917 985 807 533 231 -183 -206 134 153 655 403 202 310 814 730 927 406 -786 584 553 52 -402 -1041 -726 -152 167 -21 89 669 439 -60 -207 -1270 110 -32 -147 -320 -646 -304 -168 -3 66 -358 -660 -643 -245 -133 102 54 -101 320 318 456 268 1 276 480 448 209 -87 -336 -142 -212 367 641 642 -148 -1565 -1203 -1137 -518 -13 -359 -661 -498 -153 -264 108 279 -107 -250 -455 -213 369 591 519 758 278 878 677 78 -340 -58 367 1191 1869 1861 856 -976 -844 -1033 806 1563 590 922 749 1027 563 -337 -1034 -1493 -970 -861 -1786 -2068 -2635 -2479 -899 -460 848 978 1318 1523 811 102 -1359 -420 -104 -39 319 1500 1360 -162 -1067 -1991 -1081 -69 -943 -2604 -1645 -1858 -365 1349 1519 1265 814 331 -263 -278 177 210 953 577 299 455 1251 1081 1309 547 -1022 746 743 75 -616 -1646 -1078 -233 269 -35 156 1187 785 -106 -356 -2114 SS 20230426T194453.3Z 8516.822840 27 1 18.07 2 46.64 246.78 36.68 101.40 0.00 1 0.00 1 0 17 1.482e-02 9.718e-03 2.132e-03 8.047e-04 2.575973e-01 4.281329e-04 3.126047e-03 -6.000000e+00 8.967398e-03 229.52 -2.00 3.51 -2.00 316.85 0.00e+00 9.214960e-04 5.436559e-05 2.434977e-04 -6.000000e+00 3.871470e-04 281.46 -2.00 20.00 -2.00 316.19 0.00e+00 1.454 0.000 302.00 328.00 3 2.7643e+00 1.1205e-03 1.9932e-02 -6.0000e+00 2.2383e-02 1.5744e-02 1.2458e-03 1.3311e-02 -6.0000e+00 2.4100e-02 -4.4713e-03 7.3895e-04 6.5460e-03 -6.0000e+00 1.4324e-02 -4.4655e-03 3.5938e-04 1.8637e-03 -6.0000e+00 6.1623e-03 5.4972e-03 -1.2659e-03 2.4416e-05 2.2740e-05 -6.0000e+00 4.3490e-04 -5.6570e-02 0.0000e+00 12 9 9 12 1 1 98.47 24.28 0.29 -0.05657 -0.06608 73 46 1 5 0 241.920 27.78 20.19 24.28 20.47 20.4 994.00 1449 139 -498 -3367 -3989 -3994 -1447 1167 1356 -2612 -4897 -4026 -2288 -661 507 582 -380 1662 867 1878 1393 220 1359 1730 1799 1037 432 -1519 -411 -948 1518 2142 1979 -764 -4939 -4045 -3812 -1525 111 -414 -972 -879 -320 -443 14 466 -44 -413 -847 -393 758 1130 871 1025 308 1196 1032 175 -410 -144 560 1815 2414 2237 901 -1117 -1203 -1389 1195 1804 725 1097 929 1166 657 -446 -1472 -2144 -1338 -1017 -2018 -2072 -2409 -2382 -783 -335 613 799 1076 1245 791 17 -1276 -435 -145 -154 167 1139 905 -98 -751 -1472 -1026 -206 -697 -2065 -1284 -1274 -202 949 1018 961 524 317 -134 -171 200 88 709 392 253 330 785 752 955 482 -704 566 558 160 -418 -1023 -803 -102 133 -23 50 609 452 -98 -252 -1341 188 20 -75 -501 -545 -510 -184 161 208 -438 -845 -704 -430 -140 122 140 -98 434 237 526 401 64 394 520 572 345 144 -493 -125 -281 453 690 689 -281 -1834 -1446 -1435 -650 55 -221 -575 -550 -205 -288 9 300 -28 -258 -521 -241 477 756 622 765 221 869 763 131 -303 -105 416 1419 2028 1997 822 -983 -978 -1091 963 1608 664 1050 896 1086 621 -387 -1167 -1750 -1113 -861 -1938 -2038 -2549 -2660 -914 -388 747 1003 1348 1510 904 19 -1331 -433 -150 -174 194 1442 1222 -134 -976 -1772 -1253 -255 -861 -2752 -1781 -1726 -285 1405 1581 1429 807 457 -192 -229 264 120 1025 565 378 489 1124 1036 1338 644 -909 717 745 230 -597 -1509 -1207 -158 217 -37 84 1028 768 -165 -410 -2123 SS 20230426T194844.4Z 8516.825514 30 1 21.26 2 47.31 247.68 35.98 102.22 0.00 1 0.00 1 0 17 1.510e-02 9.826e-03 1.879e-03 6.821e-04 2.597064e-01 3.630715e-04 3.147371e-03 -6.000000e+00 9.138028e-03 229.52 -2.00 3.51 -2.00 316.92 0.00e+00 9.464787e-04 4.711209e-05 2.497529e-04 -6.000000e+00 3.945731e-04 281.46 -2.00 20.00 -2.00 316.25 0.00e+00 1.472 0.000 302.00 328.00 3 2.5615e+00 9.5238e-04 2.0143e-02 -6.0000e+00 2.2808e-02 1.1864e-02 1.0596e-03 1.3420e-02 -6.0000e+00 2.4560e-02 -2.1148e-03 6.3105e-04 6.6136e-03 -6.0000e+00 1.4598e-02 -5.8495e-03 3.0722e-04 1.8923e-03 -6.0000e+00 6.2785e-03 6.5988e-03 -1.1769e-03 2.0785e-05 2.2001e-05 -6.0000e+00 4.4326e-04 -5.5337e-02 0.0000e+00 12 9 9 12 1 1 99.17 24.18 0.31 -0.05534 -0.06418 104 56 1 5 0 200.890 27.56 20.00 24.18 20.67 20.3 994.49 1847 -704 1030 -3572 -4407 -3449 -2815 533 -318 -2983 -5595 -3615 -2004 -365 808 440 -336 748 1135 1912 1641 482 1077 1595 1979 922 -93 -1015 -820 -674 1018 2408 1873 -535 -4951 -4112 -3515 -1727 -67 -347 -1124 -844 -162 -302 351 448 -325 -295 -1146 -424 734 1228 935 1018 279 1276 973 -38 -340 -175 528 1889 2446 2217 961 -1011 -1256 -1293 900 1809 656 1245 919 1136 625 -468 -1369 -2468 -1373 -1211 -1923 -2094 -2519 -2430 -937 -375 686 803 1102 1196 831 207 -1350 -393 -147 -86 219 1103 1078 -5 -671 -1736 -988 -54 -702 -1967 -1236 -1308 -182 922 1067 977 558 196 -167 -317 137 130 742 395 386 251 885 784 888 317 -861 509 534 148 -387 -990 -825 -178 242 -86 65 679 482 -78 -161 -1320 227 -98 145 -505 -573 -416 -346 70 -47 -478 -926 -601 -359 -74 185 111 -83 189 297 514 452 134 301 462 605 296 -30 -315 -241 -192 324 748 631 -190 -1776 -1422 -1278 -715 -33 -180 -646 -512 -101 -190 220 279 -201 -178 -686 -253 450 800 650 740 211 977 760 -30 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