File name: Pandora177s1_WestportCT_20240502_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T053929.7Z 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_20240502_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: 20240502 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 20240502T162721.6Z 8888.685667 357 1 49.43 2 25.93 167.30 81.84 239.96 0.00 1 0.00 1 0 17 1.623e-02 1.199e-02 5.451e-03 2.641e-03 1.806261e-01 1.397401e-03 2.190103e-03 -6.000000e+00 9.770749e-03 230.10 -2.00 3.51 -2.00 316.36 0.00e+00 9.822210e-04 1.567784e-04 2.408304e-04 -6.000000e+00 4.249840e-04 282.21 -2.00 20.00 -2.00 315.67 0.00e+00 1.112 0.000 302.00 328.00 3 5.6554e+00 3.6468e-03 1.4593e-02 -6.0000e+00 2.4409e-02 5.4406e-02 4.0542e-03 9.2350e-03 -6.0000e+00 2.6342e-02 -6.9298e-03 2.3439e-03 4.5132e-03 -6.0000e+00 1.5654e-02 -6.2647e-03 1.0833e-03 1.3123e-03 -6.0000e+00 6.6650e-03 4.9444e-04 4.4965e-04 8.1836e-05 1.6096e-05 -6.0000e+00 4.7778e-04 -1.4296e-03 0.0000e+00 12 8 8 10 0 0 99.98 23.05 0.35 -0.00143 0.00195 22 5 1 5 0 2246.270 26.41 20.00 23.05 22.94 24.4 1022.49 826 845 2613 -2006 -3022 -1726 874 2931 -1368 -3595 -5012 -4125 176 1099 791 -937 2009 1331 1553 1075 1253 -657 -104 2173 2336 283 -1278 -1506 -1336 -639 1077 404 1269 -3174 -4906 -4799 -3148 -1000 -44 -966 -812 -233 220 75 434 1456 49 -800 -1861 -337 464 1098 864 1157 561 1845 769 -323 -918 170 1042 2126 2972 2349 159 -1138 -2426 -155 2337 983 526 1426 852 1516 -437 -1664 -2620 -3167 -2372 -2777 -2546 -3029 -3022 -1258 207 236 1197 1558 1633 1004 297 -739 -1289 -349 -532 -56 660 1172 235 -715 -1791 -1866 -773 -462 -1739 -1651 -1137 -868 808 1375 1934 1048 583 -194 -190 -536 -342 -154 613 667 389 746 1076 848 477 -630 -995 494 -419 -695 -955 -916 -537 209 569 259 795 519 414 74 -778 -1323 171 183 546 -403 -555 -302 158 580 -304 -826 -1153 -972 44 305 243 -310 662 452 541 386 451 -240 -38 814 912 114 -504 -559 -466 -217 375 151 491 -1263 -1891 -1851 -1320 -484 -25 -614 -551 -163 155 53 305 999 33 -525 -1202 -215 308 766 632 870 433 1427 604 -254 -716 132 838 1811 2671 2179 146 -964 -1923 -119 1907 900 518 1427 847 1432 -389 -1345 -1946 -2294 -1806 -2360 -2386 -3080 -3243 -1399 242 295 1552 2045 2110 1245 341 -774 -1253 -333 -539 -62 794 1511 316 -937 -2200 -2142 -869 -545 -2224 -2226 -1587 -1256 1207 2142 3073 1655 873 -269 -243 -658 -424 -201 851 976 581 1092 1515 1145 614 -777 -1188 591 -535 -941 -1335 -1297 -776 313 894 425 1334 886 706 124 -1268 -2103 SS 20240502T163650.6Z 8888.692253 360 1 3.45 2 25.62 172.50 83.32 241.61 0.00 1 0.00 1 0 17 1.633e-02 1.316e-02 5.450e-03 3.666e-03 1.807688e-01 1.967773e-03 2.187386e-03 -6.000000e+00 9.825239e-03 230.10 -2.00 3.51 -2.00 315.02 0.00e+00 7.943896e-04 1.687063e-04 1.193889e-04 -6.000000e+00 4.274030e-04 282.21 -2.00 20.00 -2.00 314.44 0.00e+00 1.109 0.000 302.00 328.00 3 4.3433e+00 5.0614e-03 1.4570e-02 -6.0000e+00 2.4545e-02 5.6189e-02 5.5910e-03 9.2533e-03 -6.0000e+00 2.6489e-02 -1.0996e-02 3.2082e-03 4.4910e-03 -6.0000e+00 1.5742e-02 -4.3084e-03 1.4198e-03 1.2660e-03 -6.0000e+00 6.7017e-03 1.8429e-03 -6.2032e-05 1.1054e-04 1.7864e-05 -6.0000e+00 4.8050e-04 -7.8737e-04 0.0000e+00 12 9 9 12 1 1 999.00 23.09 0.48 -0.00079 -0.00125 2 10 1 5 0 1147.380 26.51 20.00 23.09 23.13 24.5 1023.48 1289 1886 675 -2577 -3910 -2146 -2716 1014 -648 -3478 -3377 -3037 53 863 1519 -4 25 1411 2489 1606 537 941 782 2286 2386 1408 -1287 -758 -498 203 2434 2281 908 -4305 -4859 -4640 -3479 -2186 -251 -230 -494 -50 154 29 1281 244 -371 -946 -290 111 1558 1468 948 563 460 632 104 -713 -570 5 1639 1863 2428 2452 -623 -1374 -1786 -1047 1942 913 1424 1563 1325 1921 128 -1308 -2302 -3460 -2005 -2064 -2105 -2802 -3141 -2058 -429 778 1141 1242 1640 1544 934 -796 -944 -83 -119 -949 954 1183 677 -22 -1920 -2701 -1423 -463 -2010 -1668 -1193 -642 1255 1709 1640 1278 717 34 153 -640 131 157 812 706 746 468 1328 745 498 -926 -762 -103 152 -383 -913 -751 -560 124 317 117 573 971 633 -376 -759 -1549 433 607 215 -852 -1184 -614 -832 334 -233 -1197 -1146 -1057 20 358 690 -2 11 658 1179 787 268 464 391 1175 1280 771 -699 -384 -256 102 1239 1146 482 -2375 -2565 -2443 -1997 -1356 -179 -172 -397 -42 129 24 1059 201 -298 -736 -219 84 1208 1206 819 504 394 548 91 -624 -492 4 1450 1760 2429 2370 -636 -1295 -1560 -962 1758 926 1447 1629 1368 1887 126 -1170 -2017 -2970 -1792 -1924 -2171 -2958 -3513 -2268 -497 950 1379 1525 1977 1876 1051 -871 -1014 -87 -125 -1100 1124 1498 842 -29 -2328 -3080 -1677 -537 -2533 -2095 -1553 -864 1739 2349 2314 1785 1002 44 192 -775 159 200 1048 961 1034 640 1741 992 632 -1128 -946 -128 190 -508 -1189 -990 -754 173 442 171 854 1459 953 -559 -1095 -2187 SS 20240502T165035.2Z 8888.701796 367 1 40.53 2 25.45 180.17 85.51 243.96 0.00 1 0.00 1 0 17 1.524e-02 1.179e-02 8.096e-04 4.625e-04 1.786989e-01 2.463679e-04 2.149893e-03 -6.000000e+00 9.177049e-03 230.10 -2.00 3.51 -2.00 315.72 0.00e+00 8.471401e-04 2.431041e-05 1.585155e-04 -6.000000e+00 3.990940e-04 282.21 -2.00 20.00 -2.00 315.07 0.00e+00 1.107 0.000 302.00 328.00 3 2.7548e+00 6.3778e-04 1.4482e-02 -6.0000e+00 2.2926e-02 3.5961e-02 7.0627e-04 9.1323e-03 -6.0000e+00 2.4740e-02 -6.9806e-03 4.0642e-04 4.4443e-03 -6.0000e+00 1.4703e-02 -5.7116e-03 1.8361e-04 1.2716e-03 -6.0000e+00 6.2607e-03 9.1303e-03 1.5806e-04 1.4141e-05 1.6303e-05 -6.0000e+00 4.4867e-04 -2.3776e-03 0.0000e+00 12 9 9 12 1 1 99.98 23.15 0.37 -0.00238 -0.00119 253 70 1 5 0 159.520 26.51 20.01 23.15 24.35 24.6 1031.87 2239 610 -120 -3184 -3006 -2307 -311 1120 -505 -3234 -4570 -2477 -1000 206 738 -37 320 1478 1890 2166 832 932 1576 1907 1815 993 -517 -793 -267 -12 1647 1660 833 -3575 -5391 -4479 -3352 -855 -217 -850 -778 -201 89 66 811 235 -202 -529 -952 74 938 1004 1143 1030 501 1335 429 -237 -161 250 1236 2200 2664 2119 -45 -1320 -1426 -701 1824 1336 917 1446 1159 1337 40 -1293 -2464 -3034 -1776 -2226 -2436 -2605 -2974 -1560 -362 335 1155 1247 1587 1226 523 -749 -1507 -392 -394 -169 707 1357 544 -452 -1425 -2024 -963 -585 -1731 -1846 -1052 -836 770 1445 1448 997 562 -11 -380 -256 -54 158 944 452 669 624 1090 716 929 -580 -554 587 21 -225 -827 -1130 -403 8 326 119 690 736 431 -96 -568 -1587 560 163 -32 -797 -680 -498 -70 277 -137 -913 -1291 -706 -309 71 278 -15 132 615 732 857 336 374 700 801 797 444 -227 -360 -113 -5 700 753 397 -1757 -2569 -2115 -1727 -461 -136 -603 -591 -157 70 52 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