File name: Pandora177s1_WestportCT_20240527_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T184005.9Z 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_20240527_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: 20240527 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 20240527T152842.2Z 8913.644932 387 1 5.52 2 26.19 132.45 117.82 258.45 0.00 1 0.00 1 0 25 1.655e-02 1.291e-02 3.403e-03 2.114e-03 1.812225e-01 1.138102e-03 2.171361e-03 -6.000000e+00 1.000738e-02 231.89 -2.00 3.51 -2.00 315.38 0.00e+00 9.352802e-04 1.044666e-04 1.657420e-04 -6.000000e+00 4.378896e-04 284.82 -2.00 20.00 -2.00 314.72 0.00e+00 1.114 0.000 302.00 328.00 3 3.9741e+00 2.9496e-03 1.4656e-02 -6.0000e+00 2.5086e-02 4.9301e-02 3.2616e-03 9.2920e-03 -6.0000e+00 2.7042e-02 -4.5623e-03 1.8663e-03 4.4793e-03 -6.0000e+00 1.6072e-02 -6.8142e-03 8.2906e-04 1.2681e-03 -6.0000e+00 6.8191e-03 2.6501e-03 9.5342e-04 6.4347e-05 1.7219e-05 -6.0000e+00 4.8771e-04 1.6918e-02 0.0000e+00 12 9 9 12 1 1 99.98 23.37 0.37 0.01692 0.02408 10 22 1 5 0 500.970 26.73 20.00 23.37 26.16 25.1 1046.37 2647 2054 494 -3772 -2215 -3115 1061 1401 -904 -3709 -4840 -2329 -1242 943 -92 619 168 1571 1589 2041 1929 309 1344 2043 2548 586 -407 -840 -939 -431 1639 1290 -657 -3978 -5583 -4913 -4109 -460 -421 -798 -719 60 507 303 1202 -134 -141 -762 -968 -63 1114 743 1105 995 959 1723 -16 -357 -310 409 1459 2469 2881 1770 115 -1527 -1507 -488 1887 1099 877 1585 1257 1619 -69 -1295 -3092 -3082 -2075 -2544 -2195 -2661 -2402 -1368 -123 405 1406 1187 1705 1299 -148 -990 -1827 -484 -871 -43 872 1630 325 -686 -1612 -2141 -1076 -831 -1603 -1915 -1246 -344 1200 1661 1728 1083 468 87 -693 -400 -333 376 907 811 871 948 1081 685 639 -539 -539 138 -244 -61 -1259 -1025 -265 -161 272 454 653 830 627 -42 -726 -1930 751 610 145 -1052 -553 -767 270 396 -279 -1184 -1546 -756 -442 370 -37 258 72 682 709 927 881 142 625 987 1275 300 -202 -393 -416 -204 733 618 -332 -2033 -2766 -2452 -2277 -291 -286 -607 -541 46 394 236 924 -103 -113 -590 -735 -48 879 578 895 830 815 1476 -14 -309 -266 352 1303 2339 2692 1703 107 -1419 -1302 -420 1737 1051 895 1639 1282 1566 -67 -1140 -2731 -2672 -1768 -2426 -2147 -2813 -2671 -1590 -141 493 1774 1520 2131 1546 -175 -1063 -1840 -516 -929 -50 1029 2048 423 -868 -1902 -2543 -1264 -966 -2009 -2533 -1604 -456 1646 2377 2522 1558 636 116 -860 -477 -405 480 1233 1091 1187 1265 1476 896 795 -685 -665 173 -306 -81 -1724 -1419 -374 -224 396 686 1009 1296 977 -64 -1081 -2829 SS 20240527T154922.9Z 8913.659293 399 1 19.21 2 23.54 142.03 121.46 261.40 0.00 1 0.00 1 0 25 1.608e-02 1.265e-02 2.838e-03 1.554e-03 1.753325e-01 8.304413e-04 2.090375e-03 -6.000000e+00 9.722147e-03 231.89 -2.00 3.51 -2.00 315.96 0.00e+00 9.105602e-04 8.571676e-05 2.133239e-04 -6.000000e+00 4.254329e-04 284.82 -2.00 20.00 -2.00 315.25 0.00e+00 1.090 0.000 302.00 328.00 3 3.2378e+00 2.1634e-03 1.4257e-02 -6.0000e+00 2.4371e-02 4.0766e-02 2.4002e-03 8.9495e-03 -6.0000e+00 2.6272e-02 -3.9153e-03 1.3801e-03 4.3212e-03 -6.0000e+00 1.5615e-02 -6.6311e-03 6.2260e-04 1.2309e-03 -6.0000e+00 6.6240e-03 5.7553e-03 1.0776e-03 4.7706e-05 1.5357e-05 -6.0000e+00 4.7388e-04 1.7750e-02 0.0000e+00 12 9 9 12 1 1 100.00 23.31 0.53 0.01775 0.02585 43 26 2 5 0 436.530 26.62 20.01 23.31 29.50 25.1 1066.80 2290 1697 282 -3281 -3367 -2331 -821 154 -391 -3864 -3990 -2187 306 801 540 -320 -169 1855 1570 2317 815 1574 1258 2196 1765 760 -983 -1165 -980 -515 1596 1546 284 -4402 -5344 -4072 -3407 -1170 -452 -730 -567 169 99 385 820 -130 -476 -736 -941 200 1125 863 1120 867 589 1351 185 -273 -355 341 1497 2838 2583 2195 -297 -1664 -1976 -861 2157 1337 1169 1560 1655 1309 -357 -1693 -2693 -3287 -1994 -2163 -2423 -2398 -2882 -1322 -294 349 1482 1439 1942 1344 146 -1263 -1772 -660 -527 -282 597 1452 383 -421 -1565 -2149 -1243 -699 -1909 -1681 -1261 -690 1145 1699 1620 1135 767 -282 -590 -713 -205 359 840 850 843 803 1010 409 661 -625 -479 276 124 -345 -858 -1410 -596 96 298 138 843 907 580 -155 -810 -1652 527 409 67 -734 -738 -494 -185 38 -104 -1070 -1094 -614 86 252 186 -117 -63 697 608 911 327 623 508 919 771 337 -425 -473 -404 -209 664 636 123 -1942 -2270 -1867 -1615 -642 -287 -482 -398 121 72 280 591 -93 -354 -529 -662 140 823 669 843 673 467 1079 150 -220 -283 273 1242 2491 2410 2091 -276 -1433 -1701 -739 1835 1265 1179 1599 1667 1260 -321 -1484 -2181 -2630 -1684 -2037 -2353 -2504 -3188 -1520 -336 422 1851 1819 2397 1582 170 -1345 -1764 -650 -554 -324 744 1805 491 -524 -1942 -2522 -1447 -858 -2376 -2196 -1707 -966 1653 2551 2483 1711 1089 -372 -768 -897 -262 482 1129 1200 1206 1126 1363 566 866 -786 -584 342 163 -480 -1154 -1932 -833 139 454 220 1363 1483 947 -249 -1266 -2534 SS 20240527T155736.7Z 8913.665008 402 1 2.59 2 22.63 146.33 122.91 262.59 0.00 1 0.00 1 0 25 1.665e-02 1.352e-02 7.747e-03 5.239e-03 1.748213e-01 2.826865e-03 2.058428e-03 -6.000000e+00 1.006758e-02 231.89 -2.00 3.51 -2.00 315.01 0.00e+00 8.155533e-04 2.416844e-04 5.804851e-05 -6.000000e+00 4.405806e-04 284.82 -2.00 20.00 -2.00 314.38 0.00e+00 1.083 0.000 302.00 328.00 3 4.5356e+00 7.3014e-03 1.4203e-02 -6.0000e+00 2.5237e-02 5.3239e-02 8.0591e-03 8.9865e-03 -6.0000e+00 2.7207e-02 -3.1153e-03 4.6064e-03 4.3205e-03 -6.0000e+00 1.6171e-02 -8.3932e-03 2.0212e-03 1.2454e-03 -6.0000e+00 6.8584e-03 1.5781e-03 5.0909e-04 1.5919e-04 1.6358e-05 -6.0000e+00 4.9083e-04 1.8937e-02 0.0000e+00 12 9 9 12 1 1 999.00 23.32 1.01 0.01894 0.02276 1 9 1 5 0 1292.640 26.73 19.97 23.32 30.31 25.1 1072.34 1772 2361 1399 -2249 -2472 -3410 -4256 -913 -937 -2324 -2068 -2734 -334 145 -275 1715 279 1314 1855 2272 332 -638 2215 1591 1129 830 -337 -1503 165 1356 2647 2737 757 -5807 -3924 -5062 -3078 -101 159 -642 -1246 -352 837 -2 637 494 -1035 350 -432 98 120 1015 1031 425 1331 1994 865 348 -1476 -389 1773 2991 2058 1682 -1896 -1633 -2327 -688 1828 1547 1096 1437 1297 1578 295 -2225 -3332 -2682 -1398 -1672 -3721 -1609 -3418 -1604 -149 805 968 1424 1541 1811 737 -676 -1358 -1194 -705 -83 819 1565 507 -241 -1622 -2071 -948 -394 -1576 -1228 -1454 -441 1356 1787 1329 899 883 268 -613 -537 -779 -33 348 539 489 893 969 496 909 -650 304 -107 -421 -241 -1363 -1169 36 481 140 586 826 729 1259 -722 -696 -2057 584 805 467 -711 -712 -967 -1311 -303 -332 -840 -737 -1020 -125 61 -126 812 137 655 882 1101 165 -318 1091 824 611 453 -179 -756 82 660 1330 1464 399 -3194 -2163 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