File name: Pandora177s1_WestportCT_20231108_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20231109T045421.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20231108_L1_smca1c3d20221101p1-8.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: 20231108 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: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20231108T131328.0Z 8712.551018 237 1 15.74 2 74.49 129.47 35.18 179.92 0.00 1 0.00 1 0 25 1.546e-01 1.170e-02 1.485e-01 6.592e-03 4.490271e-01 3.544099e-03 5.777302e-03 -6.000000e+00 9.223022e-02 223.81 -2.00 3.51 -2.00 320.08 0.00e+00 4.407001e-03 1.189936e-03 3.083488e-03 -6.000000e+00 4.085247e-03 281.22 -2.00 20.00 -2.00 319.47 0.00e+00 3.671 0.001 302.00 328.00 3 3.5613e+00 1.0402e-02 4.4506e-02 -6.0000e+00 2.2704e-01 5.1775e-04 1.2652e-02 2.6970e-02 -6.0000e+00 2.4600e-01 9.8955e-03 1.0885e-02 1.6041e-02 -6.0000e+00 1.4688e-01 -1.7160e-02 5.5841e-03 6.1177e-03 -6.0000e+00 6.3083e-02 2.3132e-04 7.9456e-04 2.1361e-04 9.4201e-05 -6.0000e+00 4.7013e-03 6.4691e-02 -8.9257e-05 12 9 9 12 1 1 99.91 23.07 0.35 0.06469 0.07066 10 8 1 5 0 1430.560 26.41 20.00 23.07 7.16 21.7 897.90 -46349 -47075 -55025 15943 -46156 -78909 21940 -55257 -17843 -66892 44817 -42180 6718 -2330 -28395 11143 2719 -1185 -11738 6635 -4565 30442 23751 753 3153 -21715 -4330 -656 731 351 -7021 4134 4319 -5498 -17854 -4961 -10097 -1296 -6839 3091 -4277 780 4181 4149 46 1223 4443 990 2468 4600 3385 4784 713 785 -2480 2695 -1380 721 -2371 27 1820 2606 4439 2056 1467 258 -516 514 3561 1155 495 156 -947 327 -2231 1345 -4709 -3453 -1975 -2114 -3482 -1258 -2484 -1483 883 664 1571 2108 1409 1352 -397 -938 -1731 -46 -1231 506 656 1483 -536 -380 -1481 -1931 -146 -1684 -1323 -1840 -605 -688 916 1788 1288 986 233 -276 -700 -42 60 -85 768 616 605 364 745 559 544 -891 -180 801 -212 -1288 -1804 -1134 -703 739 -125 449 699 1128 344 -653 385 -1120 900000 -719 -819 -1061 145 -733 -1731 203 -1170 -283 -1821 450 -1085 130 -61 -1149 345 101 -49 -577 301 -223 1125 973 41 180 -1631 -271 -39 43 22 -547 331 376 -539 -1944 -486 -1172 -165 -1096 513 -838 155 831 845 10 265 944 221 559 1079 874 1332 223 259 -827 933 -503 256 -857 10 678 1061 1956 931 672 115 -240 245 1721 638 295 95 -575 185 -1189 670 -2361 -1752 -1098 -1273 -2415 -942 -2023 -1271 787 631 1550 2100 1391 1277 -355 -785 -1409 -39 -1142 522 760 1767 -680 -471 -1817 -2194 -159 -1928 -1607 -2247 -769 -931 1323 2778 2127 1657 382 -430 -1034 -59 87 -130 1227 1019 999 587 1155 838 781 -1247 -262 1144 -335 -2247 -3353 -2179 -1333 1460 -264 979 1557 2523 768 -1428 794 -2257 900000 SS 20231108T132830.3Z 8712.561462 248 1 12.99 2 72.35 132.50 35.39 186.29 0.00 1 0.00 1 0 25 6.523e-02 1.036e-02 5.082e-02 3.888e-03 4.042785e-01 2.017090e-03 4.982533e-03 -6.000000e+00 3.820037e-02 223.81 -2.00 3.51 -2.00 319.57 0.00e+00 3.685988e-03 5.769758e-04 2.043767e-03 -6.000000e+00 1.712421e-03 281.22 -2.00 20.00 -2.00 318.89 0.00e+00 3.252 0.001 302.00 328.00 3 3.1033e+00 5.7224e-03 3.8743e-02 -6.0000e+00 9.3979e-02 6.1210e-03 6.7321e-03 2.1777e-02 -6.0000e+00 1.0248e-01 -5.2103e-03 5.1609e-03 1.2252e-02 -6.0000e+00 6.1215e-02 -7.5858e-03 2.6760e-03 4.6631e-03 -6.0000e+00 2.5547e-02 5.8337e-04 7.4879e-04 1.2491e-04 6.5579e-05 -6.0000e+00 1.9785e-03 6.4747e-02 -5.4367e-05 12 9 9 12 1 1 99.98 23.06 0.51 0.06475 0.07037 19 17 1 5 0 649.160 26.41 20.05 23.06 7.24 21.7 898.85 -16911 -10483 -19670 -18815 -1368 1532 -35772 -16139 -17220 13179 -34257 4104 -16960 -1787 -7918 -15187 6096 -7718 2520 -8552 4004 1802 -4596 1953 -3635 8599 -11202 -7450 -5986 5080 -3375 591 -700 -4806 -4827 -5118 -3374 -4468 -946 -2963 -796 -2309 -1251 1110 1961 149 38 -495 461 2327 564 1609 2515 1820 1507 745 1424 -532 773 610 1581 3919 2701 3268 -487 512 -818 730 2576 2716 1534 1500 505 -160 -512 -1894 -2549 -2626 -548 -1937 -2016 -3172 -2895 -1463 -824 601 948 1819 1432 633 -387 -906 -1674 -308 87 -815 936 741 115 -395 -1593 -1720 -349 -293 -1642 -1799 -1707 -118 666 1177 1343 621 255 -578 -314 -112 717 285 1051 129 427 944 1428 593 226 -465 -507 781 -345 -478 -916 -1205 -393 -436 254 -257 822 857 817 -348 -514 -818 -83 -385 -246 -515 -464 -26 28 -1045 -435 -509 300 -1312 120 -733 -81 -447 -1037 365 -568 177 -697 293 136 -382 161 -336 721 -1130 -706 -556 445 -361 69 -89 -649 -637 -691 -502 -801 -194 -708 -204 -634 -351 311 552 43 11 -146 137 712 190 582 966 740 638 327 626 -237 336 268 728 1931 1476 1710 -265 289 -451 409 1422 1666 1022 1024 342 -103 -305 -1143 -1458 -1526 -344 -1279 -1507 -2639 -2575 -1362 -812 621 1023 1978 1539 656 -377 -821 -1463 -273 84 -896 1133 902 146 -495 -1871 -2040 -398 -347 -2103 -2239 -2233 -161 973 1845 2212 1040 415 -891 -455 -157 1011 425 1643 212 697 1497 2177 879 322 -638 -686 1090 -530 -798 -1621 -2217 -691 -808 494 -523 1695 1782 1689 -707 -998 -1535 -156 SS 20231108T133250.3Z 8712.564472 251 1 48.68 2 71.75 133.39 35.51 188.11 0.00 1 0.00 1 0 25 5.208e-02 9.394e-03 2.275e-02 1.677e-03 3.947501e-01 8.699938e-04 4.768947e-03 -6.000000e+00 3.051046e-02 223.81 -2.00 3.51 -2.00 319.74 0.00e+00 3.029785e-03 2.623404e-04 1.951874e-03 -6.000000e+00 1.367133e-03 281.22 -2.00 20.00 -2.00 319.05 0.00e+00 3.152 0.001 302.00 328.00 3 2.4086e+00 2.4912e-03 3.7578e-02 -6.0000e+00 7.5062e-02 -1.2495e-03 2.9518e-03 2.1244e-02 -6.0000e+00 8.1843e-02 7.4785e-04 2.2991e-03 1.1785e-02 -6.0000e+00 4.8889e-02 -9.5705e-03 1.1846e-03 4.2679e-03 -6.0000e+00 2.0407e-02 1.3059e-03 1.1051e-03 5.4602e-05 5.6845e-05 -6.0000e+00 1.5798e-03 6.4383e-02 4.6793e-06 12 9 8 11 8 0 99.90 23.07 0.32 0.06438 0.07269 184 42 1 5 0 264.510 26.41 19.98 23.07 7.31 21.8 899.68 -5011 -17201 122 -24359 6187 -20435 -7045 -19087 -15862 -21478 -14377 -14244 -13430 -2300 -9717 698 -3001 -594 -1319 274 -886 -1269 -2699 -3152 -2127 -7351 -5716 -5518 -5162 -2860 -2395 1389 547 -6034 -7451 -5711 -5286 -1145 297 500 -361 -1013 694 -695 1720 790 575 583 577 1210 1595 1939 966 1806 412 1396 -277 -783 -716 475 1804 3218 3103 2531 344 -757 -457 206 2643 1665 1057 1348 428 607 -827 -1993 -2343 -2941 -1626 -1912 -2193 -2398 -2301 -1347 -72 798 1331 1582 1439 1022 329 -1169 -1830 -632 -610 -217 673 1175 203 -717 -1280 -1818 -241 -335 -1749 -1894 -895 -358 865 1294 1234 323 97 -181 -333 -6 405 417 610 68 476 554 1487 503 505 -721 -300 793 -241 -570 -1122 -1184 -463 71 -16 -44 746 752 545 -31 -318 -988 -93 -98 -419 3 -614 107 -458 -150 -515 -451 -675 -440 -485 -540 -100 -534 39 -187 -39 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