File name: Pandora177s1_WestportCT_20240327_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T173548.7Z 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_20240327_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: 20240327 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 20240327T131314.9Z 8852.550867 296 1 49.05 2 63.22 111.40 108.03 266.71 0.00 1 0.00 1 0 25 2.681e-02 1.119e-02 1.870e-02 3.600e-03 2.864059e-01 1.879795e-03 3.444055e-03 -6.000000e+00 1.594557e-02 227.16 -2.00 3.51 -2.00 318.47 0.00e+00 1.931084e-03 3.611448e-04 7.390941e-04 -6.000000e+00 6.907072e-04 278.31 -2.00 20.00 -2.00 317.82 0.00e+00 2.207 0.000 302.00 328.00 3 4.7993e+00 5.0593e-03 2.6519e-02 -6.0000e+00 3.9608e-02 4.3555e-02 5.7343e-03 1.4691e-02 -6.0000e+00 4.2879e-02 6.9268e-03 3.7668e-03 7.5775e-03 -6.0000e+00 2.5482e-02 -1.1434e-02 1.9365e-03 2.6131e-03 -6.0000e+00 1.0866e-02 3.3213e-04 5.6990e-04 1.1421e-04 2.8540e-05 -6.0000e+00 7.8872e-04 9.3448e-03 0.0000e+00 12 8 8 10 0 0 99.82 22.95 0.61 0.00934 0.01363 28 6 1 5 0 1751.350 26.32 19.98 22.95 12.44 23.5 950.26 -2214 -3475 -8979 -1548 -11374 -9546 -2714 5163 -4094 -9366 -9698 -3161 -2728 -6819 3772 -2538 -187 3123 1185 4603 -144 687 355 2017 740 -4562 -791 -1030 -4399 -1348 307 1642 2370 -3611 -5793 -5065 -1385 -799 1153 -707 -1160 -177 -827 434 804 1695 -453 -1303 1426 616 1204 1053 769 825 1302 1233 735 229 -1637 805 1676 3382 2282 1929 -697 -186 -2472 -196 1391 1395 1471 956 1209 685 -341 -2562 -2453 -1845 -1443 -1580 -2303 -2663 -3464 -1182 -320 1190 1723 1980 1706 855 -108 -1757 -2690 -1428 -1023 -486 734 1225 238 -427 -1417 -1926 -1136 -580 -1604 -1205 -1129 -305 887 1391 1423 710 405 -362 352 -877 -359 -190 382 571 787 1052 919 737 920 -822 -995 111 -122 -586 -797 -1202 -408 198 112 41 730 1028 466 52 -612 -1442 -131 -223 -606 -90 -673 -589 -169 334 -314 -775 -817 -268 -265 -806 456 -355 -27 455 183 711 -24 112 59 350 137 -905 -147 -183 -781 -236 57 332 505 -812 -1281 -1127 -333 -227 379 -267 -476 -75 -361 189 350 728 -196 -559 593 265 549 516 399 445 720 696 420 130 -936 454 985 2117 1559 1375 -497 -123 -1577 -124 954 1064 1199 801 993 537 -248 -1719 -1522 -1132 -956 -1183 -1940 -2449 -3410 -1203 -345 1346 2029 2359 2004 964 -113 -1710 -2486 -1320 -1018 -534 884 1591 323 -564 -1745 -2214 -1278 -683 -2039 -1609 -1575 -442 1352 2243 2378 1188 646 -539 485 -1180 -488 -272 581 905 1253 1633 1379 1063 1262 -1091 -1290 147 -174 -899 -1273 -1974 -687 348 207 79 1435 2037 924 100 -1142 -2627 SS 20240327T133247.9Z 8852.564444 311 1 48.69 2 59.83 115.40 111.63 269.74 0.00 1 0.00 1 0 17 3.418e-02 1.189e-02 2.325e-02 5.263e-03 2.636416e-01 2.734036e-03 3.205722e-03 -6.000000e+00 2.032823e-02 227.16 -2.00 3.51 -2.00 318.26 0.00e+00 2.109243e-03 4.917840e-04 6.458721e-04 -6.000000e+00 8.804572e-04 278.31 -2.00 20.00 -2.00 317.62 0.00e+00 1.982 0.000 302.00 328.00 3 5.3656e+00 7.3042e-03 2.4000e-02 -6.0000e+00 5.0494e-02 6.8040e-02 8.2529e-03 1.3480e-02 -6.0000e+00 5.4662e-02 -1.3232e-03 5.2609e-03 6.9348e-03 -6.0000e+00 3.2485e-02 -1.0246e-02 2.6839e-03 2.4757e-03 -6.0000e+00 1.3854e-02 2.4103e-04 4.6497e-04 1.6554e-04 2.6636e-05 -6.0000e+00 1.0053e-03 8.4552e-03 0.0000e+00 12 8 8 10 0 0 99.94 22.95 0.44 0.00846 0.01195 45 10 1 5 0 1081.920 26.32 20.01 22.95 13.60 23.5 957.99 11928 5083 -2811 -14847 -15796 -11057 2902 4971 -2443 -8034 -2796 -10253 -11854 3899 -5377 3322 117 4832 5567 1992 5346 -3436 -1406 -1033 2791 -3716 2345 -1417 -3760 1633 1598 -1504 -2425 -4091 -5722 -979 -2494 302 -411 -1287 623 -3133 -238 80 2683 1600 941 -1570 313 452 1842 1494 990 137 -506 2991 565 -437 1538 -61 3400 2188 2753 810 786 -2235 435 81 1405 796 806 1746 139 146 -121 -2278 -882 -1492 -830 -2753 -1629 -3523 -2504 -1626 515 73 1215 1407 1728 1059 -496 -990 -2048 -166 -723 408 1113 1728 534 -495 -1825 -2178 -1312 -1081 -2393 -1005 -986 -588 493 1658 1343 982 668 -563 -279 -926 -324 -551 822 139 1238 737 1601 604 760 18 -543 282 -571 -514 -1243 -887 -600 131 529 174 1026 531 504 -545 -246 -1475 792 386 -229 -1265 -1243 -809 199 372 -212 -753 -268 -1131 -1415 494 -845 518 20 809 961 367 962 -674 -276 -212 578 -832 481 -287 -748 311 327 -347 -596 -1015 -1384 -228 -658 92 -148 -527 270 -1468 -111 37 1223 733 426 -713 138 204 869 755 531 77 -293 1705 332 -256 873 -35 2007 1414 1903 592 559 -1517 270 51 958 606 655 1439 114 114 -94 -1630 -574 -966 -576 -2191 -1428 -3417 -2548 -1609 532 81 1391 1631 1964 1242 -545 -993 -1945 -155 -735 455 1360 2272 734 -665 -2294 -2554 -1505 -1301 -3119 -1363 -1396 -867 762 2688 2258 1643 1066 -841 -385 -1241 -439 -789 1238 221 1959 1147 2384 871 1042 24 -696 370 -808 -777 -1960 -1424 -989 224 955 327 1964 1034 976 -1038 -449 -2637 SS 20240327T140126.0Z 8852.584328 327 1 2.96 2 55.09 121.76 116.90 274.31 0.00 1 0.00 1 0 17 1.787e-02 1.217e-02 7.661e-03 3.657e-03 2.288292e-01 1.917220e-03 2.769641e-03 -6.000000e+00 1.062167e-02 227.16 -2.00 3.51 -2.00 316.25 0.00e+00 1.247212e-03 2.116881e-04 2.542252e-04 -6.000000e+00 4.602234e-04 278.31 -2.00 20.00 -2.00 315.64 0.00e+00 1.742 0.000 302.00 328.00 3 3.6375e+00 4.9629e-03 2.0938e-02 -6.0000e+00 2.6383e-02 3.1774e-02 5.5270e-03 1.1598e-02 -6.0000e+00 2.8566e-02 -9.2523e-05 3.2129e-03 5.6970e-03 -6.0000e+00 1.6976e-02 -6.9747e-03 1.5035e-03 1.7081e-03 -6.0000e+00 7.2361e-03 1.8564e-03 7.8865e-05 1.1139e-04 2.0138e-05 -6.0000e+00 5.2559e-04 1.1848e-02 0.0000e+00 12 9 9 12 1 1 -845.54 22.93 0.54 0.01185 0.01244 3 15 1 5 0 738.330 26.32 19.98 22.93 13.41 23.3 954.39 -1233 -367 717 -6155 1119 -3595 3128 -2220 1649 -4571 -5921 -5685 -1800 -350 -1316 1571 680 3822 2012 1197 792 1114 2392 832 2247 -955 448 -1357 340 -891 992 1990 522 -2243 -5555 -3151 -3761 65 -236 -1126 -297 -1008 -300 120 1579 980 547 -1707 -851 -363 826 548 1308 1822 -186 2293 -174 57 -215 -133 1612 1656 2727 1662 583 -1251 -1061 -871 2687 872 1087 2088 1744 1516 4 -1188 -3123 -2519 -1643 -2780 -3141 -2722 -2267 -1444 -264 288 1094 1234 1025 1219 32 -1193 -2152 -71 -692 381 -41 1240 -287 -921 -1252 -1854 -628 -367 -1458 -1771 -835 -770 1142 2088 1571 1130 527 -64 -77 -259 14 622 910 696 375 1003 1199 93 670 -504 -236 620 222 -651 -1158 -909 -287 217 -35 88 404 772 614 -77 -828 -1423 -233 -73 139 -1178 182 -596 522 -437 337 -1011 -1327 -1339 -459 -101 -400 497 226 1271 704 434 291 407 881 327 913 -381 182 -530 124 -329 382 821 230 -1002 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