File name: Pandora177s1_WestportCT_20231112_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T152255.7Z 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_20231112_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: 20231112 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 20231112T133328.7Z 8716.564916 106 1 14.29 2 72.64 134.11 66.96 142.17 0.00 1 0.00 1 0 25 1.331e-01 1.209e-02 1.056e-01 4.856e-03 4.414181e-01 2.545319e-03 5.611998e-03 -6.000000e+00 7.812170e-02 223.46 -2.00 3.51 -2.00 319.90 0.00e+00 3.089519e-03 8.154189e-04 2.763011e-03 -6.000000e+00 3.463897e-03 280.73 -2.00 20.00 -2.00 319.29 0.00e+00 3.303 0.001 302.00 328.00 3 3.5389e+00 7.3222e-03 4.1099e-02 -6.0000e+00 1.9226e-01 -1.8644e-02 8.8327e-03 2.6111e-02 -6.0000e+00 2.0854e-01 8.4040e-03 7.5246e-03 1.4120e-02 -6.0000e+00 1.2448e-01 -9.7953e-03 3.9064e-03 4.5622e-03 -6.0000e+00 5.3645e-02 3.4031e-04 4.6589e-05 1.5141e-04 6.9185e-05 -6.0000e+00 3.9122e-03 6.2753e-03 0.0000e+00 12 9 9 12 1 1 99.84 23.05 0.43 0.00628 0.00663 13 11 1 5 0 1020.540 26.41 19.97 23.05 5.88 21.5 889.29 -21813 -33814 76708 -38037 -46490 -38656 -55071 -1888 -50857 12322 -32514 23188 -39703 6311 -25268 10138 3256 -4904 -2033 -11265 10538 -13878 7433 -10679 -5530 -4362 -8884 -1419 -10495 -138 -9526 4831 -3701 -1339 -11213 -10208 -7322 -1964 1259 1231 4480 -4670 309 1009 -1252 1084 1586 3974 -2018 4121 1585 2990 1906 1104 1744 181 -499 -924 761 -637 2075 1873 3609 3860 605 -65 -1790 1669 2788 3358 -160 1383 1069 826 -749 -2326 -715 -3286 -1453 -3219 -973 -2250 -3231 -1312 186 947 1190 2183 1790 1683 341 -1384 -2994 -1203 -924 -1144 963 781 1100 -629 -1712 -2629 -1216 -389 -2198 -1175 -1461 -164 957 1667 1532 827 411 -327 -680 -919 422 229 985 148 678 1276 1349 330 330 -234 -1033 949 -530 -720 -1387 -1104 -675 147 345 -191 1023 1066 834 -223 -545 -1220 -324 -630 484 -720 -895 -683 -1252 -29 -1381 187 -811 373 -1454 179 -1172 374 141 -248 -106 -672 516 -876 394 -728 -382 -307 -648 -94 -755 -9 -818 441 -376 -145 -1218 -1198 -876 -268 199 223 864 -1047 68 226 -291 249 365 904 -500 1013 435 884 614 379 619 67 -189 -348 278 -238 798 795 1662 1894 308 -32 -861 804 1476 1980 -105 917 696 509 -430 -1231 -351 -1688 -814 -2116 -711 -1838 -2860 -1134 169 909 1194 2201 1783 1602 327 -1248 -2634 -1077 -912 -1200 1114 996 1460 -828 -2100 -2986 -1323 -438 -2690 -1506 -1976 -232 1369 2572 2505 1380 667 -503 -984 -1374 634 342 1546 242 1100 2000 2040 516 495 -338 -1479 1401 -821 -1218 -2500 -2058 -1309 282 698 -406 2191 2302 1790 -466 -1090 -2497 SS 20231112T133726.3Z 8716.567666 109 1 1.82 2 72.11 134.93 66.53 143.07 0.00 1 0.00 1 0 25 2.100e-01 1.511e-02 1.582e-01 9.709e-03 4.352882e-01 5.048974e-03 5.333358e-03 -6.000000e+00 1.232334e-01 223.46 -2.00 3.51 -2.00 319.37 0.00e+00 8.864697e-04 1.373304e-03 1.870791e-03 -6.000000e+00 5.464883e-03 280.73 -2.00 20.00 -2.00 318.74 0.00e+00 3.211 0.001 302.00 328.00 3 3.0677e+00 1.4066e-02 3.9498e-02 -6.0000e+00 3.0328e-01 -1.5778e-02 1.6508e-02 2.4066e-02 -6.0000e+00 3.2899e-01 -1.8326e-04 1.3005e-02 1.1955e-02 -6.0000e+00 1.9637e-01 -5.0062e-03 6.8556e-03 3.3728e-03 -6.0000e+00 8.4611e-02 6.0369e-04 5.9487e-04 2.9505e-04 4.5318e-05 -6.0000e+00 6.1726e-03 7.3644e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.04 0.48 0.00736 0.01183 2 19 1 5 0 604.490 26.41 20.05 23.04 5.86 21.5 889.15 -83008 -38461 -42987 15230 177225 -19984 53901 -49173 -28935 -52096 -24165 -25792 -12189 31632 35789 8552 -13656 36668 -24439 12455 -20898 63 7872 -6187 16006 13953 5030 -18895 -193 -11247 -1929 -1585 -2545 6869 -13304 7916 -9165 -6574 -737 2739 841 3413 3809 -830 3426 -1766 7905 -2784 1966 506 1551 -716 3511 5003 -719 4122 -1117 -719 -2600 27 921 4136 6211 4686 3309 -2791 -226 -3766 3372 -967 -290 1837 799 1195 -1652 -3058 -3216 -3185 -3055 -3917 -548 -1744 -1581 230 1163 114 1171 1372 1449 749 430 -838 -2928 -994 -2416 -317 1249 1642 266 -943 -1557 -2004 413 -1681 25 -2089 -579 -940 617 969 1309 881 1663 79 -1318 -1228 -1009 -214 975 1603 98 961 2244 546 622 -1181 -1849 1387 -326 161 -1041 -733 -1404 518 387 168 281 1726 319 -618 -557 -1207 -3143 -1092 -1297 243 1678 -426 606 -1775 -942 -2250 -829 -1007 -498 1011 1292 455 -986 1714 -2227 818 -1954 5 587 -575 1279 1172 455 -2102 -18 -1205 -212 -198 -349 870 -2007 988 -1535 -1295 -164 638 219 914 1048 -243 969 -530 2162 -854 589 162 536 -276 1398 2076 -330 1859 -508 -341 -1238 13 449 2027 3283 2674 1913 -1634 -125 -2238 2078 -660 -211 1340 577 855 -1114 -1896 -1882 -1903 -2025 -2853 -438 -1556 -1434 217 1163 117 1243 1473 1527 795 426 -778 -2670 -922 -2511 -347 1513 2075 355 -1238 -1985 -2358 463 -2010 31 -2705 -777 -1344 900 1528 2081 1422 2686 122 -1934 -1827 -1461 -323 1543 2606 161 1521 3387 808 921 -1702 -2644 2022 -507 271 -1797 -1309 -2528 966 764 333 568 3470 645 -1215 -1082 -2271 SS 20231112T134125.6Z 8716.570435 112 1 48.82 2 71.58 135.76 66.11 143.98 0.00 1 0.00 1 0 25 7.336e-02 1.032e-02 9.089e-03 6.363e-04 4.196308e-01 3.314712e-04 5.192380e-03 -6.000000e+00 4.304803e-02 223.46 -2.00 3.51 -2.00 319.71 0.00e+00 3.147079e-03 9.845538e-05 2.156936e-03 -6.000000e+00 1.908695e-03 280.73 -2.00 20.00 -2.00 319.08 0.00e+00 3.125 0.001 302.00 328.00 3 9.4457e-01 9.4308e-04 3.8425e-02 -6.0000e+00 1.0594e-01 -1.1567e-02 1.1217e-03 2.3305e-02 -6.0000e+00 1.1492e-01 2.8271e-03 9.1934e-04 1.2900e-02 -6.0000e+00 6.8592e-02 -8.2119e-03 4.7978e-04 4.5248e-03 -6.0000e+00 2.9561e-02 5.5398e-03 1.7913e-04 1.9823e-05 6.3430e-05 -6.0000e+00 2.1557e-03 6.1053e-03 0.0000e+00 12 8 8 10 0 0 99.90 23.05 0.29 0.00611 0.00745 602 138 1 5 0 81.080 26.41 19.96 23.05 5.87 21.6 890.03 -22474 -10652 -24647 -18653 -30525 -26478 -27682 -18093 -20329 -26651 -20898 -22374 -13521 -11909 -3966 -4255 -2595 -1016 -154 277 -3073 -1483 -3457 -1958 -3363 -4020 -6348 -6718 -5292 -5637 -1259 -1017 -250 -5528 -7508 -6936 -4532 -1407 -1036 -554 -1129 -68 42 620 1237 932 738 275 -33 468 1855 1472 2027 1508 1146 1562 261 -506 -842 117 1330 3207 3352 3172 554 -453 -756 -245 2213 1587 1443 1474 1053 850 -657 -1922 -3187 -3492 -2195 -2201 -2008 -2079 -2562 -1336 -56 614 1502 1328 1746 1115 387 -1129 -1751 -894 -755 -264 758 1438 366 -560 -1688 -2123 -815 -395 -1701 -1910 -1075 -679 999 1283 1225 649 306 -365 -626 -397 83 356 834 340 658 900 1409 809 625 -1083 -668 448 -113 -494 -1076 -1280 -468 -104 116 25 729 854 606 -43 -423 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