File name: Pandora206s1_BuffaloNY_20230311_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T052915.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230311_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20230311 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20230311T135452.6Z 8470.579776 269 1 28.01 2 66.44 120.15 96.26 255.52 0.00 1 0.00 1 0 17 3.887e-01 2.712e-02 2.674e-01 1.820e-02 4.622364e-01 9.280776e-03 5.444334e-03 -6.000000e+00 2.192344e-01 225.68 -2.00 3.55 -2.00 319.65 0.00e+00 7.956638e-03 2.653459e-03 1.128179e-03 -6.000000e+00 1.085455e-02 274.16 -2.00 20.00 -2.00 319.13 0.00e+00 2.483 0.000 302.00 328.00 3 7.2784e+00 2.6039e-02 3.5644e-02 -6.0000e+00 5.4536e-01 1.5306e-01 3.0978e-02 2.8501e-02 -6.0000e+00 5.9740e-01 1.8621e-02 2.7392e-02 1.3113e-02 -6.0000e+00 3.5208e-01 -1.0407e-02 1.4531e-02 9.5638e-03 -6.0000e+00 1.5077e-01 1.5439e-05 -1.0058e-03 5.1202e-04 6.0901e-05 -6.0000e+00 1.0423e-02 9.5920e-03 -1.4420e-04 12 8 8 10 0 0 -6.07 17.47 1.85 0.00959 0.00203 7 7 2 8 0 4000.000 15.00 17.47 6.51 21.06 20.87 14.6 964.70 -96332 900000 900000 900000 -108389 900000 -69487 900000 -74329 34101 900000 900000 87830 202698 154794 11845 900000 15981 90680 -943 172925 31000 169101 18347 2172 6928 11908 95410 -3442 29908 37405 42940 -13342 24349 -8277 36504 -23595 29124 14370 1940 10681 -2537 11498 -8026 11113 -11046 -6414 -23258 16686 -6272 7757 5560 4184 7157 1090 1745 1162 -2254 -7957 6835 -6482 9427 -5207 3033 -1804 5984 -4200 -4249 -1990 -4259 5987 -2245 4699 3632 1182 -5137 4118 -1202 1122 -6022 1353 -727 -2719 -284 981 1980 1482 3485 -1722 4633 -3514 961 -4024 -895 -1310 2560 136 2744 -581 58 2151 -77 701 -2458 1013 -5184 -1002 600 566 70 1121 741 -2950 201 -1007 1211 -5362 561 -2433 2744 892 2371 215 2217 731 -1588 -3302 629 3323 -2286 4528 -925 315 -1007 2185 -1044 241 -867 507 -660 -364 2217 -2217 -3466 900000 900000 900000 -4621 900000 -2078 900000 -2799 604 900000 900000 1556 3592 2743 512 900000 788 2410 -62 3064 1506 2996 1091 152 495 817 2818 -260 1761 2395 2970 -1788 2394 -1004 2921 -3724 3263 2180 390 2141 -611 2534 -2200 2560 -3254 -1818 -7907 3871 -1907 2251 1795 1464 2596 432 697 474 -935 -3402 2521 -2875 3941 -2823 1663 -1009 2982 -2242 -2280 -1146 -2793 3832 -1603 3154 2316 703 -2896 1963 -603 613 -4128 981 -601 -2367 -252 920 1955 1533 3615 -1869 4470 -3368 836 -3454 -754 -1229 2624 158 3486 -804 77 2585 -85 734 -2772 1159 -6567 -1278 797 807 110 1813 1224 -4882 311 -1456 1631 -7814 808 -3850 4293 1404 3549 319 3154 1002 -2130 -4306 826 4704 -3612 7134 -1596 551 -1873 4196 -2086 482 -1786 1019 -1315 -686 3862 -3944 SS 20230311T151808.4Z 8470.637597 311 1 28.01 2 54.75 139.96 110.98 268.65 0.00 1 0.00 1 0 25 1.186e-01 1.855e-02 7.996e-02 1.059e-02 3.503946e-01 5.187687e-03 4.142856e-03 -6.000000e+00 6.566958e-02 225.68 -2.00 3.55 -2.00 318.45 0.00e+00 8.795169e-04 1.018240e-03 2.038553e-04 -6.000000e+00 2.829093e-03 274.16 -2.00 20.00 -2.00 317.88 0.00e+00 1.728 0.000 302.00 328.00 3 7.4857e+00 1.3960e-02 2.4819e-02 -6.0000e+00 1.6291e-01 1.1566e-01 1.5951e-02 1.7969e-02 -6.0000e+00 1.7787e-01 1.2416e-02 1.1049e-02 8.9390e-03 -6.0000e+00 1.0559e-01 -1.6568e-02 5.8332e-03 2.7262e-03 -6.0000e+00 4.4633e-02 3.1920e-05 -2.9997e-05 2.9267e-04 2.6277e-05 -6.0000e+00 3.0262e-03 3.4314e-03 -1.2709e-04 12 8 8 10 0 0 -356.80 17.47 1.58 0.00343 0.00321 7 7 2 8 0 4000.000 15.00 17.47 8.10 21.06 20.87 14.6 975.08 -23908 67376 27656 18211 -13833 44241 -5524 32545 -21101 11680 19056 29284 -2526 18159 7197 -1512 23077 -4313 5084 -13922 66190 -4332 7344 -2585 -35824 2945 10874 5082 2590 3939 -3609 10042 -1122 4182 -3559 1347 -5903 2853 1356 1587 8554 -2436 4792 964 1582 -3652 -4145 -8564 8128 -3422 2415 1370 1599 -7224 2125 2082 -109 1505 -729 1570 -2639 5644 -1408 3047 -987 2239 -2055 -3224 -1693 -2392 3773 1999 3687 1539 1215 -1804 -625 -4835 -1685 -3979 -280 -504 -1899 -515 256 1379 1755 1265 398 2581 -1525 -26 -1895 -2871 -1494 -90 391 1601 849 -325 1612 -1132 -933 -2154 555 -2396 525 167 231 590 660 1205 -1341 -847 -2033 -437 -2212 -38 -530 723 390 847 929 1412 -323 -417 -1435 337 1607 -413 1192 162 653 -872 930 -666 1268 -588 1637 -62 -172 -1997 -789 -1422 1827 1151 770 -710 1297 -280 1312 -1580 663 990 1512 -205 1407 729 -181 2346 -591 686 -2292 5270 -666 1048 -436 -8588 516 1755 809 396 612 -669 1779 -247 892 -749 270 -1423 739 433 574 3127 -1036 1960 411 669 -1634 -1834 -3911 3221 -1556 1122 672 829 -4348 1199 1198 -65 875 -421 906 -1602 3429 -1008 2244 -745 1501 -1366 -2150 -1213 -1975 3169 1762 3140 1270 919 -1289 -403 -3169 -1163 -3129 -239 -478 -1876 -524 278 1576 2086 1547 488 2930 -1649 -26 -1796 -2732 -1527 -102 477 2151 1167 -434 2022 -1326 -1054 -2595 687 -3180 709 238 339 928 1069 2010 -2197 -1283 -2939 -589 -3070 -54 -790 1119 604 1310 1395 2002 -442 -560 -1852 441 2268 -620 1859 262 1075 -1481 1653 -1253 2378 -1115 3104 -115 -305 -3442 -1356 SS 20230311T162045.8Z 8470.681086 343 1 28.01 2 48.85 158.43 122.11 279.20 0.00 1 0.00 1 0 17 3.412e-02 1.132e-02 2.775e-02 6.711e-03 3.034887e-01 3.280624e-03 3.619695e-03 -6.000000e+00 1.888761e-02 225.68 -2.00 3.55 -2.00 317.75 0.00e+00 1.804575e-03 5.248026e-04 1.007398e-04 -6.000000e+00 8.138404e-04 274.17 -2.00 20.00 -2.00 317.17 0.00e+00 1.517 0.000 302.00 328.00 3 7.1822e+00 8.6900e-03 2.1588e-02 -6.0000e+00 4.6854e-02 9.4550e-02 9.8377e-03 1.5507e-02 -6.0000e+00 5.1164e-02 9.8581e-04 6.2135e-03 7.7332e-03 -6.0000e+00 3.0373e-02 -5.2053e-03 3.1828e-03 2.6042e-03 -6.0000e+00 1.2833e-02 5.7739e-05 -3.3013e-04 1.8406e-04 2.4141e-05 -6.0000e+00 8.7068e-04 6.6284e-03 -8.7081e-05 12 8 8 10 0 0 -7.76 17.47 0.28 0.00663 0.00415 7 7 2 8 0 4000.000 15.00 17.47 11.28 21.06 20.87 15.0 998.08 -13597 17559 12174 11104 2186 -7872 -10219 3410 -9879 -289 7665 7276 -3081 5605 2382 -1643 -2377 -6537 971 -147 3097 -652 -4779 -1736 -955 -1917 -3229 -2583 1940 -3031 221 2569 -106 -263 -2760 -6303 -2398 -195 1168 -548 2847 -979 1575 -1485 1091 -1043 -4513 -1108 781 -173 768 4671 995 2515 2905 1937 -150 85 -612 394 -220 2460 959 2750 -225 -648 -1285 -2392 -1136 -617 1880 904 1401 1761 1197 -1508 -2286 -1925 -2749 -1064 -1035 -735 -3014 -51 -440 149 621 1088 729 1431 -305 -1795 -1855 -2156 -817 -141 -264 743 857 588 1015 -1182 -2835 -195 -178 -1093 -582 413 430 826 882 1198 -247 -211 -982 -473 -1921 -388 380 245 684 800 1181 168 969 -252 -1105 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