File name: Pandora177s1_WestportCT_20230606_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T115904.6Z 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_20230606_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: 20230606 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 20230606T154112.8Z 8557.653620 54 1 50.54 2 23.70 135.71 133.62 269.41 0.00 1 0.00 1 0 17 1.820e-02 1.253e-02 9.197e-03 4.004e-03 1.854753e-01 2.135456e-03 2.256940e-03 -6.000000e+00 1.106270e-02 232.42 -2.00 3.51 -2.00 316.64 0.00e+00 1.157807e-03 2.549073e-04 2.949909e-04 -6.000000e+00 4.835669e-04 285.72 -2.00 20.00 -2.00 315.86 0.00e+00 1.092 0.000 302.00 328.00 3 6.2538e+00 5.6191e-03 1.4723e-02 -6.0000e+00 2.7762e-02 4.0663e-02 6.2381e-03 9.6006e-03 -6.0000e+00 2.9880e-02 -1.2531e-02 3.6304e-03 4.6754e-03 -6.0000e+00 1.7761e-02 -7.0117e-03 1.7024e-03 1.3555e-03 -6.0000e+00 7.5602e-03 2.7562e-04 8.0744e-05 1.2474e-04 1.6188e-05 -6.0000e+00 5.3610e-04 -4.4196e-03 0.0000e+00 12 8 8 10 0 0 98.40 23.58 0.47 -0.00442 -0.00381 13 3 1 5 0 3887.060 26.94 19.99 23.58 23.62 21.1 1017.64 3050 -344 -3803 1082 -2013 4796 770 3092 -4401 -2094 -4068 -1008 -1160 -3672 269 -10 234 -220 1126 1451 -1453 2449 3901 2104 2160 301 -731 -2194 2300 -1029 2147 597 1200 -2257 -5580 -6812 -2692 -2644 -1795 -1170 -662 -878 526 507 -619 1606 -1734 -691 -537 303 681 1539 1255 1018 1454 1665 622 -872 -393 64 2229 2202 2310 2861 569 -1640 -1363 -762 2618 2093 737 1289 1377 452 112 -1425 -2688 -2737 -1728 -2809 -3092 -2470 -2931 -1736 119 342 294 1092 1399 1853 697 -982 -1179 -803 -392 -1054 708 522 260 -633 -1595 -2087 -1719 -496 -2028 -1059 -859 -919 656 1762 1782 930 807 -68 164 -497 -1240 -134 902 1156 169 873 90 476 445 173 -654 872 267 -446 -600 -1218 -619 122 434 339 833 1307 516 -444 -1237 -1539 528 -65 -733 183 -318 678 120 525 -868 -410 -803 -199 -252 -923 72 -3 69 -66 373 492 -511 823 1306 747 800 115 -274 -784 740 -335 704 213 445 -856 -2084 -2566 -1069 -1236 -978 -712 -430 -594 356 345 -424 1064 -1153 -439 -331 186 435 1033 886 743 1078 1253 475 -670 -297 48 1718 1817 2031 2577 508 -1373 -1049 -577 2073 1847 708 1267 1338 425 98 -1137 -1972 -1940 -1278 -2334 -2854 -2451 -3091 -1907 136 419 379 1423 1795 2263 794 -1028 -1138 -761 -392 -1160 841 672 347 -829 -1958 -2399 -1940 -581 -2582 -1411 -1191 -1325 976 2728 2836 1476 1215 -96 210 -614 -1556 -176 1250 1688 255 1286 129 652 580 234 -857 1141 372 -608 -844 -1751 -906 185 691 565 1418 2248 894 -761 -2068 -2501 SS 20230606T154656.2Z 8557.657595 57 1 48.03 2 22.97 138.48 134.64 270.32 0.00 1 0.00 1 0 17 1.760e-02 1.146e-02 7.092e-03 3.259e-03 1.829160e-01 1.736092e-03 2.192833e-03 -6.000000e+00 1.069409e-02 232.42 -2.00 3.51 -2.00 316.59 0.00e+00 1.395528e-03 2.046585e-04 2.567006e-04 -6.000000e+00 4.674419e-04 285.72 -2.00 20.00 -2.00 315.81 0.00e+00 1.086 0.000 302.00 328.00 3 5.9527e+00 4.5642e-03 1.4549e-02 -6.0000e+00 2.6837e-02 3.9166e-02 5.0692e-03 9.4265e-03 -6.0000e+00 2.8884e-02 -1.1634e-02 2.9373e-03 4.5824e-03 -6.0000e+00 1.7169e-02 -7.4225e-03 1.3675e-03 1.4133e-03 -6.0000e+00 7.3085e-03 3.7645e-04 2.5609e-04 1.0176e-04 1.5347e-05 -6.0000e+00 5.1822e-04 -4.5995e-03 0.0000e+00 12 9 8 11 8 0 97.05 23.58 0.41 -0.00460 -0.00268 14 3 1 5 0 3429.690 26.94 20.00 23.58 24.16 21.1 1021.03 2787 513 -512 -5219 -5830 -1854 -2684 905 -1495 -3873 -3655 -3510 639 -929 905 1885 1114 1068 2817 3219 952 759 3252 1093 2058 179 -1548 -832 -719 -925 211 3554 -926 -3262 -5644 -5443 -3271 -271 832 -142 -887 -1175 194 -102 951 665 -907 -548 -1463 -264 1149 944 1195 1066 361 1268 108 141 -706 -84 400 2230 2637 2572 123 -894 -1350 -565 1821 1470 498 783 1134 1452 -379 -1119 -3329 -3283 -1931 -3595 -2093 -2485 -2161 -1226 273 461 1429 1363 1794 1454 317 -377 -2006 -209 -14 -701 461 466 -319 -901 -1694 -2014 -907 -474 -1421 -1419 -1273 -667 865 1629 1287 722 1055 -39 514 -508 -285 170 606 299 283 554 1178 905 666 -175 -1454 -90 -168 -459 -583 -754 -234 229 486 154 436 554 355 -268 -352 -1303 491 98 -97 -1029 -1046 -306 -473 171 -312 -840 -781 -771 148 -248 262 574 352 346 922 1076 328 260 1099 393 764 69 -584 -293 -239 -301 71 1232 -351 -1251 -2110 -2025 -1309 -124 442 -85 -577 -796 132 -70 641 444 -598 -347 -911 -163 730 637 842 776 270 954 83 107 -533 -64 313 1836 2306 2317 110 -740 -1035 -426 1448 1301 477 770 1100 1345 -331 -885 -2650 -2523 -1545 -3000 -1905 -2456 -2251 -1334 312 562 1813 1762 2281 1773 361 -389 -1940 -212 -14 -765 546 596 -426 -1176 -2068 -2300 -1010 -551 -1790 -1888 -1762 -954 1279 2509 2046 1140 1572 -54 653 -674 -381 220 837 437 423 814 1662 1226 931 -234 -1895 -117 -232 -673 -815 -1072 -338 345 768 255 740 954 612 -456 -579 -2098 SS 20230606T155735.1Z 8557.664989 60 1 49.14 2 21.71 144.03 136.53 272.05 0.00 1 0.00 1 0 17 1.604e-02 1.198e-02 3.733e-03 1.825e-03 1.856828e-01 9.763327e-04 2.240308e-03 -6.000000e+00 9.744450e-03 232.42 -2.00 3.51 -2.00 316.29 0.00e+00 7.552243e-04 1.083914e-04 2.634502e-04 -6.000000e+00 4.259632e-04 285.72 -2.00 20.00 -2.00 315.54 0.00e+00 1.076 0.000 302.00 328.00 3 5.2028e+00 2.5591e-03 1.4594e-02 -6.0000e+00 2.4454e-02 4.0774e-02 2.8390e-03 9.5710e-03 -6.0000e+00 2.6320e-02 -1.4715e-02 1.6377e-03 4.6421e-03 -6.0000e+00 1.5645e-02 -3.9708e-03 7.5424e-04 1.2819e-03 -6.0000e+00 6.6591e-03 8.0143e-04 1.7948e-04 5.6328e-05 1.6594e-05 -6.0000e+00 4.7224e-04 -4.1427e-03 0.0000e+00 12 9 8 11 8 0 94.52 23.57 0.49 -0.00414 -0.00279 30 7 1 5 0 1637.700 26.94 19.99 23.57 25.12 21.1 1027.61 3347 192 1933 -3259 -3426 -1611 -1597 705 78 -2749 -4044 -1460 -1520 555 1138 -696 -388 1239 1319 1703 1477 839 1699 1977 1537 824 -1215 -1317 -600 -612 1332 1726 1386 -2766 -6236 -4957 -4689 -1106 -216 -1173 -317 -120 183 136 562 258 -1035 -533 -1329 55 906 902 1221 1044 175 872 298 -432 -596 -80 1455 2524 2747 1839 692 -975 -1163 -761 1707 1352 1156 1816 1335 1366 4 -1989 -2574 -2883 -2106 -2392 -2253 -2563 -3009 -1339 -241 398 1390 1552 1647 1579 915 -733 -1490 -428 -591 -233 281 858 253 -641 -1380 -2176 -1172 -808 -1597 -1538 -1194 -721 762 1652 1630 985 869 -135 116 -649 -401 -13 916 546 557 377 943 607 613 -513 -884 612 -31 -214 -777 -1072 -328 143 640 347 565 791 619 56 -754 -1891 675 38 410 -671 -639 -283 -298 143 17 -635 -935 -338 -387 156 351 -232 -133 427 466 616 540 307 623 754 616 337 -491 -500 -213 -212 470 649 547 -1124 -2499 -1956 -2029 -544 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