File name: Pandora177s1_WestportCT_20240606_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T184434.9Z 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_20240606_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: 20240606 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 20240606T151123.8Z 8923.632915 242 1 2.89 2 28.01 123.26 25.92 114.24 0.00 1 0.00 1 0 25 1.640e-02 1.291e-02 3.689e-03 2.616e-03 1.664386e-01 1.412098e-03 1.971788e-03 -6.000000e+00 9.936668e-03 232.47 -2.00 3.51 -2.00 314.78 0.00e+00 7.981400e-04 1.161976e-04 7.208713e-05 -6.000000e+00 4.356435e-04 285.81 -2.00 20.00 -2.00 314.16 0.00e+00 1.132 0.000 302.00 328.00 3 3.7406e+00 3.6435e-03 1.4313e-02 -6.0000e+00 2.4937e-02 5.0864e-02 4.0142e-03 8.6023e-03 -6.0000e+00 2.6864e-02 -8.4298e-03 2.2964e-03 4.1127e-03 -6.0000e+00 1.5968e-02 -4.1274e-03 1.0031e-03 1.1638e-03 -6.0000e+00 6.7738e-03 3.4084e-03 8.4572e-04 7.9163e-05 1.5994e-05 -6.0000e+00 4.8324e-04 1.6257e-02 0.0000e+00 12 9 9 12 1 1 99.48 23.33 0.50 0.01626 0.02261 4 20 1 5 0 575.790 26.73 20.00 23.33 27.96 25.2 1054.67 2198 449 -399 -3022 -3711 -3516 1249 1986 -761 -3722 -4283 -3487 -131 1311 931 752 231 1776 1028 2702 311 1784 1153 2058 2502 1592 -328 -674 -500 -232 2044 1141 1336 -3575 -5579 -4625 -3362 -1571 -414 -1132 -534 57 378 497 553 851 -623 -791 -1129 -22 1125 1147 983 502 713 1446 -291 -162 -21 402 1656 2434 2775 1655 -678 -1381 -1394 -953 1552 991 913 1117 1189 1575 -105 -1673 -2619 -3321 -2132 -2260 -2019 -2579 -2858 -1571 -123 370 1401 1865 1926 1616 320 -1292 -1787 -846 -446 -174 886 1707 357 -425 -1873 -1691 -1001 -805 -1269 -1827 -1103 -549 645 1505 1524 820 746 18 -281 -433 221 442 723 613 617 604 1009 892 896 -807 -387 398 -114 -141 -713 -887 -215 -96 512 112 660 796 511 -196 -890 -1674 772 167 -145 -1026 -1151 -1157 421 679 -285 -1442 -1646 -1378 -55 563 439 372 117 909 544 1438 170 955 631 1166 1363 878 -191 -368 -257 -117 1050 629 760 -2083 -3160 -2627 -1957 -1062 -301 -865 -432 47 316 415 459 691 -497 -649 -905 -18 931 939 841 444 641 1309 -269 -148 -19 365 1554 2283 2748 1686 -674 -1260 -1253 -858 1487 992 920 1147 1202 1601 -99 -1540 -2222 -2962 -1878 -2215 -2047 -2671 -3128 -1792 -140 448 1753 2352 2384 1904 369 -1366 -1865 -873 -488 -197 1026 2104 455 -527 -2178 -1947 -1145 -972 -1561 -2379 -1409 -725 883 2033 2100 1113 999 24 -339 -532 274 550 961 815 832 800 1352 1144 1090 -998 -462 482 -139 -181 -944 -1191 -294 -131 729 159 952 1162 745 -281 -1304 -2407 SS 20240606T153843.2Z 8923.651889 264 1 48.79 2 23.99 134.37 21.51 124.08 0.00 1 0.00 1 0 25 1.559e-02 1.208e-02 6.751e-04 3.874e-04 1.614651e-01 2.076385e-04 1.935932e-03 -6.000000e+00 9.453480e-03 232.48 -2.00 3.51 -2.00 315.81 0.00e+00 8.684679e-04 2.064664e-05 1.692815e-04 -6.000000e+00 4.144094e-04 285.81 -2.00 20.00 -2.00 315.09 0.00e+00 1.094 0.000 302.00 328.00 3 2.3932e+00 5.4074e-04 1.3853e-02 -6.0000e+00 2.3724e-02 4.7071e-02 5.9797e-04 8.3200e-03 -6.0000e+00 2.5555e-02 -7.2779e-03 3.4230e-04 3.9979e-03 -6.0000e+00 1.5190e-02 -6.3445e-03 1.5372e-04 1.1352e-03 -6.0000e+00 6.4458e-03 1.3779e-02 9.0329e-04 1.1935e-05 1.4841e-05 -6.0000e+00 4.5959e-04 1.4599e-02 0.0000e+00 12 8 8 10 0 0 99.96 23.34 0.34 0.01460 0.02139 752 173 1 5 0 64.870 26.73 20.01 23.34 29.87 25.4 1069.80 1979 816 -30 -3655 -2580 -2511 501 718 -581 -3509 -4491 -2391 -1205 745 521 110 104 1556 1502 2194 786 583 1648 1855 1785 547 -320 -760 -259 -120 1519 1723 186 -3883 -5663 -4538 -3456 -776 -424 -780 -578 -150 254 142 917 118 -150 -716 -906 85 944 1107 1086 1016 490 1317 307 -173 -332 252 1429 2281 2801 1919 -102 -1481 -1580 -714 1886 1253 1055 1504 1226 1400 -201 -1401 -2838 -3049 -1826 -2258 -2359 -2680 -2871 -1505 -285 418 1300 1317 1651 1284 279 -998 -1695 -532 -609 -47 823 1364 428 -662 -1667 -2168 -956 -713 -1674 -1741 -1039 -730 881 1494 1435 1076 531 -129 -589 -463 -151 125 932 546 820 697 1089 648 833 -725 -553 429 -32 -203 -981 -1128 -486 110 335 236 757 719 479 -152 -634 -1716 516 224 -8 -926 -586 -555 115 184 -160 -1002 -1276 -688 -377 256 196 43 42 634 628 932 340 251 712 835 836 260 -148 -329 -105 -48 619 745 84 -1791 -2532 -2029 -1706 -441 -280 -523 -411 -110 187 105 667 85 -105 -532 -656 61 707 795 813 782 386 1045 246 -138 -262 201 1176 1991 2576 1811 -94 -1256 -1367 -615 1568 1158 1040 1509 1215 1321 -178 -1235 -2315 -2434 -1534 -2116 -2215 -2715 -3070 -1677 -336 521 1680 1724 2116 1569 315 -1029 -1795 -555 -615 -52 981 1734 562 -846 -1991 -2446 -1065 -840 -2130 -2333 -1439 -1046 1302 2296 2061 1656 771 -172 -733 -554 -184 160 1270 787 1196 999 1501 857 1045 -874 -644 505 -41 -268 -1338 -1559 -685 161 517 379 1239 1192 794 -248 -1004 -2677 SS 20240606T154359.6Z 8923.655550 267 1 43.92 2 23.30 136.86 20.72 126.35 0.00 1 0.00 1 0 17 1.599e-02 1.244e-02 3.248e-03 1.792e-03 1.635030e-01 9.546166e-04 1.970775e-03 -6.000000e+00 9.692245e-03 232.48 -2.00 3.51 -2.00 315.88 0.00e+00 8.351491e-04 9.756263e-05 2.044355e-04 -6.000000e+00 4.248620e-04 285.82 -2.00 20.00 -2.00 315.16 0.00e+00 1.088 0.000 302.00 328.00 3 5.0635e+00 2.4932e-03 1.3883e-02 -6.0000e+00 2.4324e-02 6.5131e-02 2.7656e-03 8.4322e-03 -6.0000e+00 2.6201e-02 -7.5463e-03 1.5836e-03 4.0599e-03 -6.0000e+00 1.5573e-02 -6.9347e-03 7.1314e-04 1.1259e-03 -6.0000e+00 6.6089e-03 9.4912e-04 8.4499e-04 5.5110e-05 1.5139e-05 -6.0000e+00 4.7116e-04 1.4213e-02 0.0000e+00 12 9 9 12 9 1 99.99 23.36 0.53 0.01421 0.02056 44 12 1 5 0 975.830 26.73 20.01 23.36 30.82 25.4 1076.22 1496 1152 -290 -3357 -1990 -2170 1197 1210 -627 -3402 -5035 -2287 -1161 790 64 141 -652 1550 1227 1996 1145 298 2061 1754 2610 305 -477 -912 -300 -443 1917 1986 301 -3586 -5176 -5078 -3753 -1166 -35 -955 -557 -518 125 408 1187 15 -567 -1144 -1589 65 995 1182 992 1177 555 1217 573 -374 -572 132 1246 2122 2683 1936 187 -1476 -1721 -1031 2073 851 1062 1572 1453 1412 -101 -1862 -2760 -3094 -1691 -2222 -2425 -2814 -2610 -1520 -165 336 1370 1352 2024 1390 205 -1181 -1804 -459 -935 -192 836 1373 178 -482 -1779 -2220 -884 -1050 -1757 -1879 -954 -681 895 1670 1525 1226 476 -181 -409 -776 -309 94 956 557 1137 601 1227 768 653 -721 -728 334 4 -146 -660 -812 -323 229 228 117 889 676 467 -25 -712 -1816 372 299 -74 -806 -427 -453 260 292 -165 -922 -1366 -624 -345 258 23 53 -253 600 489 807 469 122 842 750 1151 138 -209 -376 -115 -168 738 812 129 -1565 -2185 -2164 -1761 -630 -22 -667 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