File name: Pandora177s1_WestportCT_20231202_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T155533.0Z 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_20231202_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: 20231202 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 20231202T164137.6Z 8736.695574 433 1 5.46 2 63.10 179.71 91.93 300.40 0.00 1 0.00 1 0 17 2.995e-02 1.316e-02 1.952e-02 5.554e-03 2.716709e-01 2.855658e-03 3.314796e-03 -6.000000e+00 1.755088e-02 222.95 -2.00 3.51 -2.00 317.58 0.00e+00 1.596535e-03 4.474529e-04 5.395560e-04 -6.000000e+00 7.718010e-04 278.48 -2.00 20.00 -2.00 316.95 0.00e+00 2.198 0.000 302.00 328.00 3 4.3379e+00 7.4787e-03 2.5758e-02 -6.0000e+00 4.3180e-02 4.4262e-02 8.4304e-03 1.3632e-02 -6.0000e+00 4.6860e-02 -4.8803e-03 5.2332e-03 6.9083e-03 -6.0000e+00 2.7943e-02 -6.6059e-03 2.6368e-03 2.2066e-03 -6.0000e+00 1.2041e-02 5.5173e-04 7.7416e-05 1.7063e-04 2.3631e-05 -6.0000e+00 8.7953e-04 3.2778e-04 0.0000e+00 12 9 9 12 1 1 99.98 23.05 0.40 0.00033 0.00091 4 10 1 5 0 1091.550 26.41 20.01 23.05 15.15 22.4 954.68 -2358 313 4551 -8452 -3232 -4191 -14485 6518 -10322 -3903 -9139 -2885 -8216 -3021 -2197 880 8220 2569 3909 268 982 -459 1330 -1887 1280 6674 -578 1988 -4032 -1039 3940 6005 720 -5342 -4338 -5261 -6268 -1515 763 -1819 -923 -2002 86 146 911 1390 168 1134 -1919 501 339 2537 1468 1847 446 1715 1356 -978 185 -588 1707 988 4032 1674 1059 -522 -1761 -286 1814 347 1286 1964 1444 957 -1559 -1762 -3045 -4274 -1360 -3493 -1398 -2907 -2676 -895 -489 762 1138 1738 1262 2367 583 -1510 -2390 -287 -298 -182 356 900 107 -948 -2187 -1924 -93 -398 -2076 -1203 -933 -606 864 1497 1281 902 909 71 -38 -670 235 -189 1542 24 629 577 1303 583 650 173 -1098 972 -41 -724 -1635 -1125 84 224 -104 -177 952 996 810 -13 -475 -1908 -222 31 428 -844 -299 -380 -1558 638 -1297 -472 -1175 -370 -1264 -481 -393 166 1513 522 814 60 220 -104 302 -467 323 1626 -148 471 -973 -261 1009 1547 208 -1636 -1263 -1553 -2070 -566 330 -859 -467 -1071 46 79 489 739 89 583 -1009 263 189 1478 915 1193 300 1164 932 -681 126 -405 1202 757 3055 1354 845 -417 -1335 -215 1459 298 1172 1827 1331 845 -1301 -1407 -2266 -3171 -1054 -2939 -1288 -2962 -2738 -950 -552 906 1343 2076 1492 2783 645 -1640 -2449 -289 -323 -206 445 1156 144 -1253 -2850 -2318 -108 -486 -2617 -1589 -1284 -871 1237 2264 2016 1421 1366 105 -53 -887 312 -265 2272 36 944 891 1933 836 888 237 -1482 1321 -57 -1090 -2587 -1725 131 366 -180 -304 1663 1761 1430 -22 -833 -3281 SS 20231202T164909.5Z 8736.700804 439 1 33.74 2 63.12 181.67 93.12 301.60 0.00 1 0.00 1 0 17 1.942e-02 1.095e-02 1.427e-02 2.997e-03 2.749982e-01 1.539843e-03 3.364937e-03 -6.000000e+00 1.138638e-02 222.95 -2.00 3.51 -2.00 318.19 0.00e+00 7.880425e-04 2.793143e-04 7.404939e-04 -6.000000e+00 5.006332e-04 278.47 -2.00 20.00 -2.00 317.54 0.00e+00 2.200 0.000 302.00 328.00 3 3.3046e+00 4.0963e-03 2.5956e-02 -6.0000e+00 2.8014e-02 3.3883e-02 4.6449e-03 1.4134e-02 -6.0000e+00 3.0399e-02 7.0474e-04 3.0283e-03 7.0805e-03 -6.0000e+00 1.8127e-02 -9.5994e-03 1.5624e-03 2.0682e-03 -6.0000e+00 7.8125e-03 1.5492e-03 -2.4559e-04 9.3918e-05 2.3676e-05 -6.0000e+00 5.7051e-04 -7.2204e-04 0.0000e+00 12 9 9 12 1 1 99.99 23.05 0.18 -0.00072 -0.00257 39 13 2 5 0 842.890 26.41 19.99 23.05 15.31 22.5 956.04 -3784 -4088 2353 506 -3340 1377 -4235 885 -5446 -5770 -5238 -3626 363 -1136 -1386 2070 -3182 -399 -1823 2925 2505 2397 3624 2880 723 -1132 -3063 -2843 -1537 1278 653 1887 850 -2716 -5345 -5827 -4409 -2524 788 -910 -591 -1164 854 533 1015 385 -1262 -679 -379 1144 628 1504 1001 462 115 641 45 -813 -840 601 1696 2850 2694 2323 326 -1591 -735 -374 1804 1186 892 2218 916 1408 -345 -1141 -2303 -3440 -1644 -2288 -2097 -2216 -2799 -1383 -56 330 1124 1193 1343 1408 343 -691 -1645 -504 -255 -329 455 1482 641 -290 -1518 -2130 -904 -736 -1722 -1842 -1280 -839 820 1598 1545 704 638 -230 -575 -436 -17 134 692 541 717 697 1052 361 834 -540 -626 635 -75 -344 -768 -1240 -841 29 -108 -12 857 964 630 32 -338 -1604 -268 -312 168 34 -216 83 -289 65 -463 -507 -462 -333 36 -134 -186 291 -496 -63 -304 480 418 430 657 557 151 -246 -663 -583 -298 241 133 414 201 -666 -1292 -1420 -1173 -783 280 -374 -263 -544 400 252 479 182 -595 -312 -172 524 306 778 552 267 69 390 28 -501 -511 362 1055 1892 1934 1747 246 -1138 -488 -249 1284 946 767 1935 799 1166 -268 -807 -1514 -2248 -1132 -1785 -1826 -2108 -2849 -1370 -58 366 1298 1401 1554 1555 380 -704 -1581 -480 -260 -373 565 1852 839 -373 -1965 -2569 -1055 -898 -2269 -2398 -1733 -1185 1208 2484 2500 1146 994 -336 -836 -608 -24 197 1009 828 1110 1058 1540 548 1201 -748 -842 866 -110 -543 -1186 -1969 -1370 48 -193 -22 1628 1852 1209 60 -615 -2851 SS 20231202T165359.8Z 8736.704164 442 1 10.37 2 63.16 182.92 93.88 302.38 0.00 1 0.00 1 0 17 2.123e-02 1.149e-02 4.123e-03 1.317e-03 2.724671e-01 6.792531e-04 3.300245e-03 -6.000000e+00 1.244502e-02 222.95 -2.00 3.51 -2.00 317.29 0.00e+00 1.599033e-03 9.862334e-05 4.289050e-04 -6.000000e+00 5.471445e-04 278.47 -2.00 20.00 -2.00 316.67 0.00e+00 2.202 0.000 302.00 328.00 3 2.5003e+00 1.7696e-03 2.5784e-02 -6.0000e+00 3.0619e-02 2.7888e-02 1.9871e-03 1.3614e-02 -6.0000e+00 3.3225e-02 -6.2207e-03 1.2085e-03 6.8509e-03 -6.0000e+00 1.9813e-02 -4.7236e-03 6.0290e-04 2.1675e-03 -6.0000e+00 8.5393e-03 3.4745e-03 -1.4868e-04 4.0446e-05 2.4231e-05 -6.0000e+00 6.2351e-04 -1.1302e-03 0.0000e+00 12 9 9 12 1 1 99.82 23.05 0.31 -0.00113 -0.00225 40 44 1 5 0 252.880 26.41 20.02 23.05 15.57 22.5 958.23 3039 -889 -922 -6525 -7894 -6466 -5279 -92 -4154 -6048 -7722 -4945 -3401 -380 379 -49 1131 1942 2643 2261 1673 1254 2180 1961 683 284 -2028 -850 -2023 385 897 1404 1028 -3511 -5576 -4904 -3509 -1095 178 -736 -372 -281 65 284 670 744 -162 -30 -666 278 1426 768 1287 1169 585 1347 462 -462 -546 231 1457 2454 2885 2243 -15 -1258 -1491 -561 1840 1473 847 1468 1287 1266 -33 -1424 -2381 -3287 -1458 -2386 -2518 -2600 -2903 -1528 -275 353 1315 1276 1663 1119 473 -1007 -1748 -911 -670 -159 783 1240 462 -318 -1393 -2124 -828 -388 -1810 -1728 -1001 -578 639 1480 1363 856 441 -76 -288 -327 36 306 1131 433 791 933 1220 825 831 -383 -787 525 -37 -586 -1004 -1206 -449 -34 295 76 767 756 461 -176 -648 -1463 318 -104 -108 -753 -844 -661 -570 -11 -541 -825 -1080 -713 -549 -69 78 -11 264 468 657 583 399 330 580 501 186 79 -566 -245 -567 106 262 407 319 -1139 -1773 -1554 -1213 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