File name: Pandora75s1_EssexMD_20250112_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T105431.0Z 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: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20250112_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20250112 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 20250112T143032.6Z 9143.604544 333 1 52.61 2 71.88 140.09 109.93 338.58 0.00 1 0.00 1 0 17 1.240e-01 1.263e-02 3.046e-02 3.097e-03 3.903737e-01 1.593417e-03 4.580455e-03 -6.000000e+00 7.301608e-02 223.83 -2.00 3.48 -2.00 318.96 0.00e+00 2.112233e-03 3.754477e-04 1.079110e-03 -6.000000e+00 3.212026e-03 276.85 -2.00 20.00 -2.00 318.36 0.00e+00 3.174 0.001 302.00 328.00 3 4.7898e+00 4.3585e-03 3.7123e-02 -6.0000e+00 1.7989e-01 3.1386e-02 5.0184e-03 1.9774e-02 -6.0000e+00 1.9603e-01 -1.6822e-02 3.6086e-03 1.0263e-02 -6.0000e+00 1.1683e-01 3.2758e-03 1.8810e-03 3.4024e-03 -6.0000e+00 4.8632e-02 1.1745e-04 -1.3823e-04 9.8387e-05 4.4415e-05 -6.0000e+00 3.8333e-03 1.1529e-02 -2.4384e-05 12 8 8 10 0 0 11.14 22.87 0.65 0.01153 0.01049 14 2 1 5 0 3757.120 25.79 20.00 22.87 12.32 5.7 912.90 -97870 -9849 44840 -4864 -41539 4945 19812 -13969 -20490 12649 -27900 -10164 23458 56530 14044 -16183 -3529 -6164 4413 1946 7354 10648 -8325 690 -14098 313 -4192 -7589 -4340 13196 4390 -3609 1919 -3751 5838 1947 -2944 -5369 5008 5636 -498 4796 4201 -733 214 2961 898 -2159 -612 3485 714 -859 2064 3944 731 2911 -678 -2511 -879 -1398 1554 4053 2090 1494 2103 -2282 816 273 1549 2079 -1044 2835 -534 27 -511 -1172 -2165 -1273 -1511 -2772 -1184 -2783 -1736 -1248 -1714 -194 294 1150 638 1982 600 -256 -1396 -1257 -1645 217 160 315 1207 -122 -1084 -2016 -459 -1415 -1257 -1628 18 549 1027 1200 1463 634 123 -663 -705 1197 101 -25 336 512 992 548 1027 490 362 -682 -171 -1152 357 -329 -121 -619 -319 321 -237 -267 313 948 -449 644 -172 -513 -833 -6584 -342 948 -165 -1882 136 491 -536 -928 439 -1508 -494 942 1946 874 -1554 -326 -625 427 201 737 1042 -1013 81 -2031 41 -573 -1041 -558 1455 577 -573 317 -684 947 328 -565 -1228 1231 1607 -153 1483 1360 -255 74 1008 312 -774 -218 1231 277 -367 919 1831 366 1467 -360 -1355 -460 -735 823 2262 1304 1006 1308 -1553 517 174 1050 1435 -810 2208 -429 20 -363 -829 -1434 -822 -1047 -2021 -963 -2556 -1703 -1193 -1759 -208 330 1317 732 2158 617 -246 -1388 -1249 -1627 235 196 395 1580 -160 -1351 -2526 -539 -1716 -1622 -2072 24 763 1520 1782 2298 1024 195 -999 -1065 1697 145 -37 498 791 1540 840 1520 750 529 -965 -234 -1645 542 -506 -197 -1058 -564 553 -435 -513 613 1873 -896 1230 -318 -916 -1477 SS 20250112T144104.8Z 9143.611862 336 1 50.88 2 70.60 142.30 110.61 340.82 0.00 1 0.00 1 0 17 8.295e-02 1.080e-02 1.930e-02 2.669e-03 3.692979e-01 1.367995e-03 4.330028e-03 -6.000000e+00 4.885151e-02 223.83 -2.00 3.48 -2.00 318.64 0.00e+00 2.563960e-03 2.914310e-04 7.381198e-04 -6.000000e+00 2.148744e-03 276.85 -2.00 20.00 -2.00 318.01 0.00e+00 2.977 0.000 302.00 328.00 3 4.7370e+00 3.7025e-03 3.4824e-02 -6.0000e+00 1.2035e-01 3.2487e-02 4.2333e-03 1.8448e-02 -6.0000e+00 1.3115e-01 -1.3564e-02 2.8968e-03 9.5334e-03 -6.0000e+00 7.8162e-02 -1.6405e-04 1.4976e-03 3.4015e-03 -6.0000e+00 3.2539e-02 1.5325e-04 -8.8528e-05 8.4448e-05 4.0698e-05 -6.0000e+00 2.5643e-03 1.1696e-02 1.0664e-05 12 9 8 11 40 0 94.88 22.88 0.36 0.01170 0.01103 16 3 1 5 0 3179.460 25.79 20.00 22.88 12.67 5.7 915.11 -71963 -18546 20941 4742 -25786 -20927 9723 1495 -28054 -7348 -15163 -11562 15099 9296 5646 -12186 -193 -3522 678 347 6005 6253 -3318 -3208 1108 1592 -3936 -6541 1776 8890 -1275 -683 1754 -4796 2103 -654 -3249 -1707 2036 2681 -2325 3340 967 204 -582 2375 1392 -1150 1255 2825 878 -674 1715 3015 623 2111 -246 -2360 -645 -579 1567 3325 2512 2009 2039 -1534 -592 -731 608 1906 -176 2103 53 529 -564 -563 -2238 -986 -1230 -2699 -1741 -1868 -1923 -1586 -979 -20 377 898 541 1520 529 -446 -804 -1198 -1738 826 162 264 1006 -169 -1529 -1872 -1019 -881 -1150 -1576 -710 470 584 770 1690 825 339 -206 -436 405 -177 303 284 185 902 734 721 550 396 -270 19 -597 388 -22 -67 -488 -255 117 193 -216 238 452 -242 687 -428 -525 -881 -5319 -907 725 188 -1282 -953 339 62 -1730 -392 -904 -710 817 634 470 -1380 -21 -424 83 44 741 775 -464 -471 164 244 -640 -1057 256 1212 -209 -124 340 -1032 413 -132 -726 -435 595 824 -833 1202 371 80 -233 932 551 -465 499 1137 384 -323 860 1581 348 1195 -145 -1415 -375 -337 924 1907 1588 1366 1402 -1046 -383 -474 416 1435 -148 1795 46 438 -437 -396 -1480 -631 -841 -2117 -1530 -1683 -1868 -1628 -1067 -21 421 1025 618 1653 583 -459 -781 -1166 -1820 940 194 348 1294 -218 -2010 -2287 -1177 -1040 -1451 -2113 -927 642 851 1202 2592 1298 521 -320 -636 559 -247 438 436 279 1364 1167 1113 816 562 -369 27 -819 566 -35 -105 -802 -432 208 339 -399 449 865 -464 1267 -767 -965 -1607 SS 20250112T145052.6Z 9143.618665 339 1 52.05 2 69.47 144.40 111.18 342.94 0.00 1 0.00 1 0 17 5.927e-02 9.886e-03 1.403e-02 2.301e-03 3.532714e-01 1.179928e-03 4.147016e-03 -6.000000e+00 3.489871e-02 223.83 -2.00 3.48 -2.00 318.38 0.00e+00 1.551826e-03 2.318227e-04 6.182040e-04 -6.000000e+00 1.535356e-03 276.85 -2.00 20.00 -2.00 317.76 0.00e+00 2.823 0.000 302.00 328.00 3 4.6859e+00 3.1612e-03 3.3099e-02 -6.0000e+00 8.5979e-02 2.7227e-02 3.5967e-03 1.7655e-02 -6.0000e+00 9.3698e-02 -1.1266e-02 2.3863e-03 8.9253e-03 -6.0000e+00 5.5841e-02 -2.4165e-03 1.2277e-03 2.7917e-03 -6.0000e+00 2.3243e-02 1.9222e-04 -2.5258e-04 7.3206e-05 3.4360e-05 -6.0000e+00 1.8324e-03 1.1744e-02 -4.1957e-05 12 8 8 10 0 0 63.76 22.91 0.46 0.01174 0.00985 19 3 1 5 0 2739.410 25.79 20.00 22.91 13.05 5.8 918.28 -55410 -2333 9375 5711 -16597 -13176 5750 -4074 -9800 -2410 -10199 -9462 -1660 16415 4505 -6779 -4205 -1525 2210 1560 4006 6756 -119 -99 -8619 294 -3847 -4587 -3207 5927 1543 -369 2561 -4267 -23 -682 -4495 -3538 1866 2504 -957 3039 1757 208 -1323 1308 418 -227 293 2260 -97 -864 2632 2512 1552 2042 676 -2019 -885 -561 1456 3062 2409 1305 924 -1305 39 -635 1171 1752 -113 1769 173 -142 -351 -946 -1753 -1962 -1547 -2767 -1762 -1825 -1512 -1463 -745 220 376 663 426 1456 447 -539 -688 -792 -974 354 269 396 661 -323 -1209 -1703 -750 -1081 -1036 -1216 -528 391 544 1092 1489 931 442 -174 -586 499 -309 -246 299 340 660 534 626 374 850 -559 -132 -795 597 -85 -301 -563 -237 -107 57 -101 301 698 -132 453 -235 -452 -847 -4276 -119 444 272 -912 -674 254 -219 -618 -150 -709 -694 -129 1248 451 -858 -561 -210 309 229 586 969 -19 -17 -1647 54 -732 -848 -563 959 281 -76 556 -1030 -5 -154 -1147 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