File name: Pandora177s1_WestportCT_20240212_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T043402.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240212_L1_smca1c7d20230401p1-8.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: 20240212 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20240212T133030.6Z 8808.562854 82 1 5.64 2 74.27 125.00 91.34 91.56 0.00 1 0.00 1 0 17 3.183e-01 2.021e-02 3.210e-01 1.650e-02 5.268005e-01 8.862480e-03 6.457119e-03 -6.000000e+00 1.894839e-01 224.77 -2.00 3.51 -2.00 320.29 0.00e+00 7.561292e-03 3.116897e-03 2.780500e-03 -6.000000e+00 8.115636e-03 275.07 -2.00 20.00 -2.00 319.79 0.00e+00 3.624 0.001 302.00 328.00 3 4.0642e+00 2.5958e-02 4.5564e-02 -6.0000e+00 4.6985e-01 7.2106e-02 3.2013e-02 2.8031e-02 -6.0000e+00 5.1053e-01 -1.1507e-01 2.9328e-02 2.0465e-02 -6.0000e+00 3.0210e-01 4.4900e-02 1.4954e-02 1.1275e-02 -6.0000e+00 1.2822e-01 1.2985e-04 4.3637e-04 5.0130e-04 1.3783e-04 -6.0000e+00 9.4862e-03 2.8040e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.08 0.21 0.00280 0.00608 1 4 1 5 0 2817.150 26.41 20.02 23.08 4.91 22.3 892.93 -63087 12406 -69516 35371 -48320 -63115 -126157 900000 -45504 -99242 33500 -146074 -79817 -21141 -30764 900000 -45579 174163 -25772 101660 80450 13593 -23713 -23609 -894 25482 -28263 -29199 21268 -19083 -16734 -6108 -11773 980 -27080 14575 25803 40925 2026 20500 -3310 -4178 2113 3221 7114 -2681 2765 6786 11070 12116 14358 -886 3630 -8640 17714 190 1147 7630 10584 -2820 7188 -581 -4889 5254 4869 2176 3668 289 6746 -254 4435 235 399 799 -712 4704 -4236 -2293 -2258 775 -804 -3016 -6108 -5058 1070 417 3911 1013 2986 1853 212 -4423 -3647 -3684 -2248 -628 24 1033 1071 -2277 -2316 -1931 1238 482 -416 -4031 261 -669 -774 1251 790 -283 829 -226 -759 -1240 920 1124 1791 1186 360 1 1467 1523 745 410 914 1140 -738 -2222 -404 762 -783 163 773 419 -213 1564 -154 -1089 -1308 -527 -1015 200 -1304 569 -777 -1015 -3832 900000 -732 -2837 539 -8222 -2924 -548 -1072 900000 -2362 2801 -1266 1635 1522 501 -1229 -1287 -41 964 -1717 -1774 845 -1246 -1251 -480 -1020 81 -2710 1034 1831 2981 244 2482 -526 -713 353 547 1189 -506 504 1219 2095 2284 2899 -229 967 -2748 4495 59 355 2181 2894 -892 2190 -213 -2088 2187 2062 914 1485 127 3092 -140 2496 141 232 434 -358 2038 -1915 -1057 -1176 456 -550 -2216 -4973 -4324 916 381 3615 978 2775 1661 180 -3665 -2914 -3096 -2088 -657 27 1269 1379 -2953 -2760 -2090 1319 537 -473 -5037 330 -913 -1102 1916 1297 -478 1351 -352 -1124 -1798 1333 1711 2859 1954 591 2 2222 2226 1106 586 1288 1708 -1191 -4008 -728 1416 -1551 338 1615 912 -476 3454 -341 -2342 -2662 -1064 SS 20240212T134127.0Z 8808.570451 89 1 15.75 2 72.60 127.15 89.31 93.26 0.00 1 0.00 1 0 25 1.251e-01 1.172e-02 1.359e-01 4.705e-03 4.948789e-01 2.485325e-03 6.209092e-03 -6.000000e+00 7.373150e-02 224.77 -2.00 3.51 -2.00 320.07 0.00e+00 3.465541e-03 8.153593e-04 3.101230e-03 -6.000000e+00 3.179675e-03 275.07 -2.00 20.00 -2.00 319.56 0.00e+00 3.297 0.001 302.00 328.00 3 3.4770e+00 7.1958e-03 4.2983e-02 -6.0000e+00 1.8234e-01 1.0497e-02 8.7421e-03 2.9064e-02 -6.0000e+00 1.9783e-01 -1.4496e-02 7.9786e-03 1.6977e-02 -6.0000e+00 1.1756e-01 -1.0891e-03 4.1345e-03 6.2947e-03 -6.0000e+00 5.0247e-02 3.3553e-04 8.3930e-05 1.4384e-04 9.0901e-05 -6.0000e+00 3.6763e-03 3.5591e-03 0.0000e+00 12 9 9 12 1 1 99.85 23.08 0.37 0.00356 0.00419 13 10 1 5 0 1124.680 26.41 20.02 23.08 5.15 22.3 894.67 -60198 26668 3929 16990 -71448 -44801 35634 -27630 -33920 11013 -31355 -14528 29552 -28053 18720 -23825 -18393 8287 4074 -10965 -1088 84 -4945 12852 5888 -6191 -5908 -18881 -7355 -12420 -6672 1004 -1278 -7666 -925 -13738 -15579 -5637 167 -1656 -2787 1981 2496 3041 2539 821 -3290 -1102 2929 3682 3217 1748 5328 637 -760 2030 -153 -2750 -2348 2322 370 3333 3582 3494 1277 225 -1387 -1816 2433 1373 2519 1483 1604 88 -1540 -2543 -3339 -2688 -2634 -1701 -1428 -1636 -1521 -971 198 288 1856 1581 1954 1093 533 -1764 -2892 -1347 -1772 -187 363 1467 695 -544 -1443 -2129 -951 -1354 -1877 -1347 -941 -126 1333 1943 1062 694 619 -775 -1048 -342 171 210 825 1017 884 697 1141 574 498 -1448 -579 -98 85 -707 -1037 -1539 -883 -215 290 77 798 1003 1218 161 -627 -1276 -939 196 37 135 -1289 -617 240 -397 -571 125 -575 -258 416 -875 441 -984 -793 297 162 -530 -49 4 -242 566 297 -363 -343 -1224 -427 -817 -477 77 -111 -722 -80 -1370 -1782 -703 24 -274 -513 370 481 595 508 170 -718 -240 633 840 807 489 1553 206 -260 698 -54 -994 -832 790 136 1314 1564 1640 619 106 -646 -886 1270 761 1484 903 952 50 -865 -1311 -1644 -1354 -1485 -1033 -986 -1254 -1251 -843 181 280 1856 1608 1945 1046 478 -1503 -2410 -1154 -1697 -200 412 1815 907 -700 -1724 -2487 -1063 -1579 -2209 -1667 -1221 -172 1964 2935 1720 1147 995 -1193 -1613 -509 257 333 1295 1639 1415 1145 1800 878 731 -2074 -812 -144 138 -1203 -1880 -2921 -1742 -422 599 167 1744 2203 2637 340 -1259 -2610 SS 20240212T135755.5Z 8808.581892 98 1 48.79 2 70.18 130.52 86.27 95.83 0.00 1 0.00 1 0 25 7.434e-02 1.038e-02 1.424e-02 9.411e-04 4.374232e-01 4.933986e-04 5.298736e-03 -6.000000e+00 4.382048e-02 224.77 -2.00 3.51 -2.00 319.74 0.00e+00 3.611203e-03 1.435561e-04 1.978253e-03 -6.000000e+00 1.889815e-03 275.07 -2.00 20.00 -2.00 319.21 0.00e+00 2.917 0.000 302.00 328.00 3 1.7962e+00 1.3943e-03 3.7111e-02 -6.0000e+00 1.0837e-01 5.1457e-03 1.6506e-03 2.3324e-02 -6.0000e+00 1.1758e-01 -1.0399e-02 1.3952e-03 1.3820e-02 -6.0000e+00 6.9870e-02 -3.7200e-03 7.2990e-04 5.7711e-03 -6.0000e+00 2.9862e-02 2.7842e-03 4.1031e-04 2.9149e-05 7.3249e-05 -6.0000e+00 2.1850e-03 3.7975e-03 0.0000e+00 12 8 8 10 0 0 98.46 23.07 0.32 0.00380 0.00688 311 72 1 5 0 156.840 26.41 20.02 23.07 5.47 22.4 897.01 -23981 -9640 -16912 -20788 -30653 -28871 -21966 -27308 -19779 -27057 -23002 -21051 -13598 -13971 -6065 -4156 -2903 2540 -1689 2410 -2193 -149 -2371 -1394 -4216 -4890 -6909 -6752 -3174 -5509 -377 -1975 -452 -4645 -7336 -6245 -5386 -1131 -803 -513 -1703 -904 -624 -202 1293 1532 994 456 673 847 2095 1791 1678 1303 898 1296 -75 -439 -825 573 1383 3158 3594 2662 760 -891 -749 -320 2354 1602 1409 1528 869 964 -705 -1913 -3318 -3568 -2136 -1923 -2000 -2153 -2834 -1304 -120 518 1524 1545 1875 1301 350 -1185 -1918 -1029 -866 -245 659 1447 460 -428 -1609 -1892 -721 -397 -1602 -1929 -1015 -669 1042 1227 1100 571 90 -427 -714 -409 109 559 972 437 666 844 1363 630 604 -1141 -714 364 -216 -522 -1169 -1329 -597 -94 146 124 740 929 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