File name: Pandora177s1_WestportCT_20230620_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T121749.2Z 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_20230620_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: 20230620 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 20230620T133525.6Z 8571.566268 188 1 3.38 2 45.01 97.25 66.75 75.78 0.00 1 0.00 1 0 17 1.777e-02 1.363e-02 2.821e-03 1.652e-03 2.048643e-01 8.904872e-04 2.454276e-03 -6.000000e+00 1.080675e-02 232.94 -2.00 3.51 -2.00 315.64 0.00e+00 7.866603e-04 8.660544e-05 2.291037e-04 -6.000000e+00 4.749575e-04 287.07 -2.00 20.00 -2.00 314.92 0.00e+00 1.412 0.000 302.00 328.00 3 2.7309e+00 2.3167e-03 1.7768e-02 -6.0000e+00 2.7141e-02 1.9391e-02 2.5608e-03 1.0543e-02 -6.0000e+00 2.9207e-02 -5.8828e-03 1.4681e-03 5.0754e-03 -6.0000e+00 1.7367e-02 -6.0205e-03 6.5995e-04 1.3866e-03 -6.0000e+00 7.3819e-03 6.6350e-03 2.3837e-04 5.0156e-05 1.9090e-05 -6.0000e+00 5.2375e-04 5.9659e-03 0.0000e+00 12 9 9 12 1 1 -10.14 23.57 0.26 0.00597 0.00776 13 48 1 5 0 228.820 26.94 20.01 23.57 25.17 21.1 1025.79 3607 1496 688 -3249 -4117 -3151 -1431 851 -1770 -3218 -5342 -2919 -1958 725 263 1314 1018 1797 1238 2181 1071 358 1900 1341 2908 1163 -100 -909 -1389 -285 697 1722 800 -3047 -5838 -5435 -4087 -1854 240 -775 -243 53 874 511 840 411 -121 -502 -1380 -92 1055 1333 1159 1022 596 1185 568 -211 -622 -5 1375 2162 2849 2526 100 -1255 -1976 -868 1701 1666 1016 1857 1389 1441 239 -2005 -3442 -3912 -2425 -2635 -2434 -2566 -2745 -1698 -182 348 1369 1527 1859 1586 497 -883 -1985 -777 -491 -465 612 1610 953 -719 -1563 -2446 -1467 -586 -1501 -1724 -1063 -605 767 1863 1537 1322 832 -129 -449 -648 -45 -39 1168 981 1036 1042 1149 869 818 -617 -1082 154 -78 -185 -1009 -1419 -482 -82 442 185 853 743 568 -123 -620 -1880 900 402 183 -829 -964 -709 -340 221 -509 -954 -1608 -893 -604 247 100 525 421 759 501 898 450 151 804 598 1338 551 -46 -401 -631 -126 322 780 383 -1496 -2816 -2627 -2165 -1056 157 -538 -180 41 676 374 651 316 -91 -367 -997 -66 791 1058 908 829 497 1000 485 -180 -526 -4 1202 1895 2648 2423 95 -1110 -1738 -756 1573 1610 1000 1859 1380 1447 225 -1839 -2927 -3261 -2122 -2427 -2481 -2677 -3036 -1860 -210 426 1654 1872 2239 1922 561 -966 -2035 -830 -526 -519 743 1986 1220 -907 -1942 -2863 -1685 -703 -1848 -2245 -1434 -806 1062 2685 2182 1857 1165 -177 -569 -832 -58 -51 1605 1354 1453 1436 1605 1165 1044 -797 -1359 195 -100 -251 -1429 -1955 -676 -121 647 283 1331 1176 899 -192 -936 -2792 SS 20230620T134030.3Z 8571.569795 192 1 47.23 2 44.06 98.22 65.85 76.50 0.00 1 0.00 1 0 17 1.842e-02 1.260e-02 8.028e-03 3.179e-03 2.006361e-01 1.696384e-03 2.382799e-03 -6.000000e+00 1.121601e-02 232.94 -2.00 3.51 -2.00 317.00 0.00e+00 1.731810e-03 2.221645e-04 3.198846e-04 -6.000000e+00 4.922613e-04 287.07 -2.00 20.00 -2.00 316.20 0.00e+00 1.390 0.000 302.00 328.00 3 5.6104e+00 4.4891e-03 1.7468e-02 -6.0000e+00 2.8170e-02 4.6061e-02 4.9971e-03 1.0367e-02 -6.0000e+00 3.0302e-02 4.7370e-04 2.9237e-03 5.0433e-03 -6.0000e+00 1.8019e-02 -1.2151e-02 1.3880e-03 1.6321e-03 -6.0000e+00 7.6695e-03 3.7781e-04 2.1386e-04 9.9477e-05 1.6716e-05 -6.0000e+00 5.4275e-04 -2.5433e-03 0.0000e+00 12 9 9 12 9 1 98.46 23.60 0.50 -0.00254 -0.00094 12 3 1 5 0 3632.470 26.94 20.01 23.60 25.56 21.2 1028.81 6218 2551 -1005 -3559 -3012 -4022 -1900 -560 -2859 -2889 -3539 -4715 -2249 -2199 651 499 -727 3027 1433 1237 1685 -176 1327 17 1643 -605 1091 -3454 -2878 -392 -192 1954 390 -4104 -6097 -4243 -3478 -619 -11 -65 -192 -767 907 211 1333 679 -962 625 316 257 1003 918 1194 1192 1041 1155 1202 -887 784 -131 1854 1995 2853 1649 -298 -205 -2387 -1395 1803 336 1132 1640 766 903 -332 -1281 -3085 -1988 -2641 -2624 -2475 -3346 -3494 -1796 188 180 1323 1547 1612 2159 430 -1066 -2420 -804 -608 -164 900 1219 862 -368 -1356 -3170 -1176 -1083 -1481 -1416 -931 -851 833 1553 1716 955 433 -128 31 -719 -445 -243 1003 746 825 663 1126 763 459 -305 -991 456 -191 -821 -1082 -1072 -590 247 567 211 904 563 562 -137 -461 -1737 909 411 -166 -556 -425 -551 -271 -88 -494 -507 -621 -869 -449 -500 160 131 -200 828 411 365 500 -53 398 5 535 -204 351 -1098 -862 -113 -58 620 132 -1439 -2082 -1422 -1275 -260 -6 -36 -114 -476 564 133 830 421 -591 366 181 149 604 587 800 825 737 830 869 -648 557 -94 1371 1581 2396 1446 -258 -163 -1799 -1035 1404 295 1057 1566 730 822 -283 -992 -2388 -1476 -2092 -2151 -2246 -3318 -3671 -1957 215 219 1673 1988 2043 2600 486 -1105 -2350 -819 -610 -179 1072 1566 1150 -483 -1669 -3700 -1327 -1282 -1884 -1902 -1298 -1234 1249 2432 2763 1532 662 -182 40 -905 -565 -324 1415 1113 1252 992 1621 1056 606 -415 -1306 602 -250 -1147 -1568 -1577 -885 384 928 361 1581 1001 1000 -241 -783 -2895 SS 20230620T134551.9Z 8571.573517 195 1 48.74 2 43.07 99.26 64.90 77.25 0.00 1 0.00 1 0 17 1.731e-02 1.182e-02 6.619e-03 2.588e-03 1.994559e-01 1.375244e-03 2.420760e-03 -6.000000e+00 1.053428e-02 232.94 -2.00 3.51 -2.00 316.99 0.00e+00 1.026656e-03 1.812819e-04 4.268084e-04 -6.000000e+00 4.623692e-04 287.07 -2.00 20.00 -2.00 316.19 0.00e+00 1.367 0.000 302.00 328.00 3 5.2826e+00 3.6348e-03 1.7283e-02 -6.0000e+00 2.6457e-02 4.6451e-02 4.0509e-03 1.0358e-02 -6.0000e+00 2.8461e-02 -6.1793e-03 2.3778e-03 4.9995e-03 -6.0000e+00 1.6924e-02 -5.4224e-03 1.1303e-03 1.3824e-03 -6.0000e+00 7.2030e-03 5.3941e-04 2.0517e-04 8.0426e-05 1.6612e-05 -6.0000e+00 5.0979e-04 -2.1434e-03 0.0000e+00 12 8 8 10 0 0 99.63 23.63 0.22 -0.00214 -0.00060 38 9 1 5 0 1282.600 27.05 19.96 23.63 25.85 21.1 1030.33 3760 -535 387 -121 -1843 -4151 44 -1487 -305 -3727 -6881 -4501 -1243 -98 -1515 175 -459 1950 1678 2767 710 1193 3260 1106 1782 -159 -395 -1606 -661 91 -155 2280 -296 -3282 -5380 -4732 -3883 -1298 -1432 -473 43 -625 495 -103 684 -357 208 -723 -457 584 216 1392 1423 1082 695 2287 486 226 -431 43 1107 2409 2850 1844 612 -1730 -1374 -957 1777 1545 1068 1097 476 1371 -293 -1054 -2961 -3302 -2450 -2892 -2364 -2851 -2485 -1503 180 349 1612 1389 1340 1199 180 -418 -2266 -590 -1160 -612 261 1247 581 -572 -1650 -2198 -926 -282 -979 -1676 -1039 -875 1133 1702 1415 1200 556 146 -150 -727 -227 417 982 651 544 433 1104 846 987 -696 -888 272 -243 -343 -1161 -1402 -670 77 400 362 578 649 538 115 -565 -1521 555 -87 62 -18 -251 -558 6 -231 -51 -652 -1231 -814 -241 -21 -370 45 -122 521 462 775 205 341 926 335 562 -52 -135 -525 -202 27 -48 747 -104 -1179 -1883 -1646 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