File name: Pandora75s1_EssexMD_20240801_L2Fit_fout2c1d20221230p1-8.txt File generation date: 20240803T235925.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v104d20221230.txt Level 1 file used: Pandora75s1_EssexMD_20240801_L1_smca1c1d20221230p1-8.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: 20240801 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-data based on session 103 First and last pixel inside fitting window: 196 337 Nominal wavelengths inside fitting window [nm]: 305.0663 305.2078 305.3493 305.4908 305.6322 305.7737 305.9151 306.0566 306.1980 306.3394 306.4807 306.6221 306.7635 306.9048 307.0461 307.1874 307.3287 307.4700 307.6112 307.7524 307.8937 308.0349 308.1761 308.3172 308.4584 308.5996 308.7407 308.8818 309.0229 309.1640 309.3051 309.4461 309.5872 309.7282 309.8692 310.0102 310.1512 310.2921 310.4331 310.5740 310.7149 310.8558 310.9967 311.1376 311.2784 311.4193 311.5601 311.7009 311.8417 311.9825 312.1233 312.2640 312.4048 312.5455 312.6862 312.8269 312.9676 313.1083 313.2489 313.3896 313.5302 313.6708 313.8114 313.9520 314.0925 314.2331 314.3736 314.5141 314.6547 314.7951 314.9356 315.0761 315.2165 315.3570 315.4974 315.6378 315.7782 315.9186 316.0590 316.1993 316.3397 316.4800 316.6203 316.7606 316.9009 317.0411 317.1814 317.3216 317.4619 317.6021 317.7423 317.8825 318.0227 318.1628 318.3030 318.4431 318.5832 318.7233 318.8634 319.0035 319.1436 319.2836 319.4237 319.5637 319.7037 319.8437 319.9837 320.1237 320.2636 320.4036 320.5435 320.6834 320.8233 320.9632 321.1031 321.2430 321.3828 321.5227 321.6625 321.8023 321.9421 322.0819 322.2217 322.3615 322.5012 322.6409 322.7807 322.9204 323.0601 323.1998 323.3395 323.4791 323.6188 323.7584 323.8980 324.0376 324.1772 324.3168 324.4564 324.5960 324.7355 324.8750 --------------------------------------------------------------------------------------- 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 20240801T111217.3Z 8979.466867 165 1 51.59 2 78.82 76.04 45.13 87.46 0.00 1 0.00 1 0 25 4.518e-01 2.062e-02 1.989e-01 4.912e-03 6.216295e-01 2.794163e-03 7.813017e-03 -6.000000e+00 2.790827e-01 232.16 -2.00 3.48 -2.00 320.89 0.00e+00 1.649436e-03 1.238032e-03 5.023832e-03 -6.000000e+00 1.248232e-02 290.87 -2.00 20.00 -2.00 320.22 0.00e+00 4.973 0.002 302.00 328.00 3 3.1143e+00 9.2547e-03 6.4776e-02 -6.0000e+00 6.9819e-01 1.9218e-01 1.2090e-02 4.7728e-02 -6.0000e+00 7.4975e-01 -3.7165e-01 1.0420e-02 1.9488e-02 -6.0000e+00 4.4769e-01 1.5910e-01 5.0347e-03 4.9762e-03 -6.0000e+00 1.9124e-01 8.5678e-05 -2.2735e-03 1.5077e-04 8.6758e-05 -6.0000e+00 1.3969e-02 -3.1758e-02 1.5295e-04 12 8 8 10 0 0 25.50 23.67 1.27 -0.03176 -0.04884 27 4 1 5 0 1910.440 26.41 20.00 23.67 34.05 4.6 1050.81 -24606 -78314 61061 -98647 -193452 -74801 -51037 -104027 -160602 -115393 -164884 4803 -108147 900000 -92862 104197 -8318 -49868 65829 40586 6511 132020 -689 -23494 13800 7567 200714 25714 42744 -46365 53522 -9365 556 27557 34442 122822 -27096 19036 10017 -1289 87 3270 5770 20012 27483 14710 30481 5213 22712 18256 10880 17885 30980 28926 3447 5556 -3137 12553 9944 3100 -2894 5440 2838 6706 2919 -10888 621 -84 11921 8174 2854 1485 631 -2679 4150 4286 -3427 -6927 -3282 -3425 -1303 -8249 -1339 2255 -1124 -1452 2830 1295 885 -199 -904 -4629 -25 -4724 -2424 89 56 -31 -1065 162 -1781 -2213 -1017 -562 -3046 -826 -1014 -341 68 1296 1725 448 -158 -2 687 -135 475 -600 82 1439 1169 1725 2001 -8 316 -1188 538 1755 -700 503 141 -1432 -225 -1027 -246 -53 823 974 165 -254 -434 -1175 -161 -1023 292 -1675 -7832 -879 -489 -1857 -5593 -2763 -6819 40 -3296 900000 -3679 680 -188 -1867 914 758 175 1012 -20 -934 403 246 961 690 942 -2598 1256 -480 29 1188 1369 2000 -2128 1094 758 -130 10 382 688 2118 2724 1677 3007 677 2567 2291 1610 2732 4540 4682 764 1256 -793 2711 2157 711 -725 1360 814 2046 970 -4114 207 -29 3985 3206 1300 719 307 -1281 1705 1595 -1290 -2720 -1369 -1667 -721 -5060 -842 1466 -809 -1118 2195 1049 720 -159 -679 -3395 -17 -3455 -1915 79 57 -35 -1228 185 -2143 -2459 -1044 -577 -3403 -958 -1253 -413 90 1872 2714 751 -267 -3 1061 -203 717 -956 136 2457 1999 2856 3199 -13 475 -1752 768 2597 -1174 856 263 -2891 -473 -2147 -542 -123 1933 2317 393 -584 -949 -2651 SS 20240801T111804.6Z 8979.470886 168 1 51.54 2 77.73 76.90 44.04 88.31 0.00 1 0.00 1 0 17 2.905e-01 1.073e-02 2.568e-01 5.636e-03 5.793234e-01 3.235233e-03 7.003021e-03 -6.000000e+00 1.805387e-01 232.16 -2.00 3.48 -2.00 321.11 0.00e+00 -3.428558e-05 1.546465e-03 4.115940e-03 -6.000000e+00 7.995702e-03 290.87 -2.00 20.00 -2.00 320.46 0.00e+00 4.565 0.002 302.00 328.00 3 2.8665e+00 1.1198e-02 5.9390e-02 -6.0000e+00 4.5235e-01 3.2697e-02 1.4947e-02 4.3103e-02 -6.0000e+00 4.8604e-01 -1.2542e-01 1.3629e-02 1.7312e-02 -6.0000e+00 2.8896e-01 4.5951e-02 6.5422e-03 5.4984e-03 -6.0000e+00 1.2289e-01 1.7344e-04 -9.1633e-04 1.8152e-04 7.0058e-05 -6.0000e+00 9.0731e-03 -3.2748e-02 1.2687e-04 12 9 8 11 16 0 -17.24 23.67 0.84 -0.03275 -0.03963 43 7 1 5 0 1198.480 26.41 19.99 23.67 34.56 4.5 1053.63 -92773 -42905 -87755 -61094 -67232 -61515 -36921 900000 -58970 -101614 -150272 -101689 83784 -48923 -53767 -84535 11775 -46053 -4507 -24037 -29071 -50729 -44347 -37704 -11952 20332 383 -31044 -3858 39354 -35880 -15856 -5667 2565 -1885 13101 -3690 7364 -3085 10972 -7214 -4749 -867 -5147 484 5509 6998 1343 -2229 4433 -2463 2756 -1772 3937 -184 1843 4777 5338 1522 1071 8723 -631 4585 2055 5911 841 1014 4074 5265 2716 1875 4037 2555 3205 -1964 -980 -5266 -2376 -3259 1139 -235 -4877 -2838 871 -2316 -8 2418 -154 1234 576 1064 419 -2285 -12 -906 210 -367 297 83 -1741 -654 -1741 92 -1878 -1577 -2609 -1388 -1025 625 1295 1161 974 645 125 -1143 49 -290 333 124 501 711 747 689 327 89 -282 -124 658 703 -280 -437 -736 -114 -406 -256 228 471 697 1 -23 12 -857 -595 -236 -683 -364 -437 -369 -203 900000 -471 -1370 -3528 -1625 460 -684 -967 -2449 147 -1127 -79 -540 -711 -1571 -1351 -1168 -310 406 10 -1039 -96 668 -1469 -618 -226 101 -77 465 -170 357 -202 745 -667 -463 -85 -542 54 590 750 156 -278 550 -360 424 -313 712 -37 379 982 1094 319 224 1744 -151 1161 587 1692 249 297 1193 1666 998 764 1688 1079 1282 -763 -343 -1803 -796 -1212 470 -114 -2803 -1749 554 -1630 -6 1819 -122 964 437 752 280 -1515 -8 -671 176 -354 321 96 -2040 -716 -1774 87 -1828 -1628 -2884 -1609 -1270 831 1883 1836 1609 1063 199 -1752 71 -431 513 202 843 1193 1222 1093 500 131 -402 -174 961 1132 -503 -854 -1530 -247 -940 -573 532 1124 1685 2 -54 29 -2013 SS 20240801T112322.2Z 8979.474562 171 1 51.50 2 76.73 77.69 43.04 89.09 0.00 1 0.00 1 0 17 2.935e-01 1.159e-02 4.287e-02 2.309e-03 5.490272e-01 1.285318e-03 6.644999e-03 -6.000000e+00 1.813520e-01 232.16 -2.00 3.48 -2.00 320.18 0.00e+00 1.280260e-03 4.579070e-04 2.697552e-03 -6.000000e+00 8.079960e-03 290.87 -2.00 20.00 -2.00 319.43 0.00e+00 4.246 0.001 302.00 328.00 3 2.6754e+00 3.8696e-03 5.2846e-02 -6.0000e+00 4.5378e-01 4.0698e-02 4.7643e-03 3.3323e-02 -6.0000e+00 4.8721e-01 -1.2073e-01 3.9515e-03 1.5139e-02 -6.0000e+00 2.9080e-01 4.3107e-02 2.0079e-03 4.0546e-03 -6.0000e+00 1.2423e-01 2.8960e-04 -1.0201e-03 7.0826e-05 5.9661e-05 -6.0000e+00 9.0508e-03 -3.3400e-02 2.0806e-04 12 8 8 10 0 0 7.19 23.67 0.67 -0.03340 -0.04107 60 10 1 5 0 858.250 26.41 20.01 23.67 35.02 4.5 1057.45 -89683 -79058 -69432 -78824 -122799 -84586 -88251 -111517 -118283 -99596 -104653 -46928 -49093 -52035 -55443 -14479 -20176 -24384 -3355 -3944 -1202 10706 -14301 -20984 -6693 1113 167 3569 1322 -18006 -2054 -14237 -3327 -3210 -4627 3918 -10770 4445 4578 -2110 -688 1463 1688 4894 7381 5668 4604 3199 4935 4913 2043 2975 7490 6448 3531 2980 2070 2312 1525 717 -195 2470 1988 2589 2186 -2003 -276 -291 2070 3009 2099 1462 1267 -810 -40 -828 -2379 -3791 -2671 -3177 -1594 -3488 -1778 -1207 -488 -571 913 1288 1281 615 345 -1084 -269 -1442 -1345 -504 503 543 347 -479 -1400 -1966 -1082 -666 -1532 -1240 -517 -82 155 1466 1067 590 382 81 -125 51 302 95 346 419 514 700 1358 410 348 -652 287 440 -182 137 -362 -619 -580 -159 -76 65 298 677 182 -97 -501 -726 -1267 -1181 -1023 -1275 -2891 -1316 -1499 -2671 -3414 -2871 -3370 -930 -1183 -1593 -2147 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