File name: Pandora177s1_WestportCT_20231009_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T033627.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231009_L1_smca1c7d20230401p1-8.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: 20231009 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]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 20231009T124110.0Z 8682.528588 249 1 49.79 2 72.32 115.52 22.57 160.60 0.00 1 0.00 1 0 17 1.985e-01 1.478e-02 2.100e-01 8.802e-03 4.311464e-01 4.726150e-03 5.605161e-03 -6.000000e+00 1.179519e-01 226.60 -2.00 3.51 -2.00 320.24 0.00e+00 4.851301e-05 1.649446e-03 3.615729e-03 -6.000000e+00 5.289996e-03 284.90 -2.00 20.00 -2.00 319.56 0.00e+00 3.246 0.001 302.00 328.00 3 4.7578e+00 1.4198e-02 4.2961e-02 -6.0000e+00 2.9192e-01 -5.1512e-02 1.7405e-02 3.2731e-02 -6.0000e+00 3.1575e-01 1.8003e-02 1.4708e-02 1.3142e-02 -6.0000e+00 1.8851e-01 -1.0920e-02 7.4924e-03 3.7081e-03 -6.0000e+00 8.1579e-02 1.0961e-04 1.1720e-04 2.8348e-04 4.7279e-05 -6.0000e+00 5.8641e-03 -1.4045e-03 0.0000e+00 12 8 8 10 0 0 99.95 22.91 0.21 -0.00140 -0.00052 23 5 1 5 0 2164.600 26.32 20.00 22.91 13.86 21.8 940.41 900000 -70212 58292 -30183 32628 -83578 -97430 -57106 -63870 61062 -14549 88969 -23611 13268 23319 14877 -1745 -4648 -8844 -26200 3560 -9325 19567 -3619 13521 27526 -20238 -4779 -12948 3843 -21909 9792 17264 56 10332 -8461 -20871 -2748 12612 -7761 -1346 3004 10487 1175 -8336 6848 243 -561 7080 -5429 7466 7166 2035 -2721 2113 -390 1791 -2359 4731 -1043 715 433 4659 2592 -718 -540 -2364 1750 3490 5737 2731 3557 -257 -1345 -3262 -4145 1693 -3568 195 -3700 -1203 16 -2414 -1795 -847 -289 90 2601 3057 2345 1756 -201 -3917 -2263 -1150 -482 771 -254 -243 -828 -1762 -2668 -586 -1568 -2364 -2397 -2035 547 1330 2783 1588 1483 423 -382 46 -1964 -366 208 430 542 910 1354 1218 292 -98 -856 -172 387 -764 -104 -1186 -1395 -163 462 -12 -284 760 907 540 422 -472 -1537 900000 -1630 500 -457 280 -2025 -3000 -1355 -1805 557 -279 763 -655 308 577 451 -68 -199 -420 -1547 160 -485 850 -203 732 1343 -1574 -308 -889 233 -1927 714 1278 5 814 -821 -2586 -343 1630 -1419 -254 575 1923 240 -1891 1344 51 -120 1431 -1310 1722 1814 585 -870 673 -132 603 -822 1512 -355 251 167 1899 1150 -330 -236 -1017 747 1628 2938 1554 2064 -152 -763 -1732 -2014 728 -1640 95 -2163 -779 11 -1880 -1476 -737 -267 87 2489 2867 2116 1485 -160 -3105 -1820 -1007 -474 840 -308 -307 -1030 -2044 -2872 -601 -1694 -2752 -2955 -2629 730 1905 4263 2604 2468 689 -591 66 -2801 -522 310 680 888 1484 2140 1862 434 -150 -1258 -247 578 -1265 -175 -2131 -2606 -313 935 -25 -639 1732 2084 1235 934 -1004 -3178 SS 20231009T124923.2Z 8682.534297 255 1 13.28 2 70.93 117.10 22.15 165.48 0.00 1 0.00 1 0 17 8.342e-02 1.162e-02 5.179e-02 4.040e-03 4.003007e-01 2.123812e-03 4.931666e-03 -6.000000e+00 4.958064e-02 226.60 -2.00 3.51 -2.00 319.47 0.00e+00 2.608256e-03 5.932910e-04 1.921570e-03 -6.000000e+00 2.208434e-03 284.90 -2.00 20.00 -2.00 318.77 0.00e+00 3.024 0.000 302.00 328.00 3 3.4958e+00 5.9984e-03 3.7172e-02 -6.0000e+00 1.2272e-01 -3.1398e-02 7.0720e-03 2.2408e-02 -6.0000e+00 1.3269e-01 1.7194e-02 5.5145e-03 1.1652e-02 -6.0000e+00 7.9214e-02 -1.3650e-02 2.8909e-03 3.6069e-03 -6.0000e+00 3.4075e-02 4.8874e-04 2.9649e-05 1.2533e-04 4.7446e-05 -6.0000e+00 2.4531e-03 -3.1444e-03 0.0000e+00 12 9 9 12 1 1 99.98 22.88 0.27 -0.00314 -0.00292 15 14 1 5 0 829.780 26.21 20.00 22.88 14.09 21.7 941.46 -27389 12488 -10128 -21052 -42140 -32893 -9022 -38211 4387 -36226 -12210 -23563 -7490 -12811 -9237 523 -12643 10598 -9013 11598 -4055 1331 5596 3568 2643 -4218 5449 -10515 -329 -10144 245 411 -498 -868 -2167 -10037 -6766 -3783 -2579 -23 -1506 -913 1653 -261 1297 -935 232 -342 771 300 2683 466 2251 238 524 2653 294 -1095 -621 1797 1040 3739 3861 3125 442 -1820 -1146 -1368 3604 1671 1979 1228 1260 1309 -890 -1719 -3413 -1591 -2289 -1597 -2547 -1962 -2261 -1780 -98 301 1733 1381 1836 1415 916 -164 -1386 -358 -1059 -1126 269 1382 -17 -333 -1696 -1722 -804 -821 -1978 -2384 -1056 -1069 1149 1769 1291 348 112 -209 -768 -745 -437 1129 1248 158 958 1350 1578 46 723 -688 -463 54 215 -772 -773 -974 -381 -18 70 370 692 1171 250 -168 -597 -1412 -663 225 -234 -515 -1186 -833 -195 -1258 104 -1345 -371 -888 -287 -627 -515 30 -889 632 -692 757 -316 99 414 288 230 -405 469 -1029 -29 -1019 25 47 -63 -112 -275 -1398 -1020 -664 -535 -5 -389 -248 453 -74 368 -274 67 -100 227 93 876 170 864 98 224 1146 132 -494 -275 783 481 1843 2089 1811 263 -1053 -631 -775 2152 1064 1353 869 877 864 -591 -1044 -1971 -910 -1450 -1074 -1960 -1655 -2050 -1705 -99 301 1795 1461 1906 1505 910 -152 -1237 -324 -1059 -1268 314 1755 -23 -440 -2096 -1959 -882 -939 -2448 -3135 -1439 -1542 1644 2720 2104 578 181 -316 -1164 -1092 -649 1737 1918 255 1538 2105 2372 71 1075 -989 -651 79 341 -1268 -1339 -1748 -708 -33 136 751 1432 2439 523 -341 -1162 -2667 SS 20231009T131331.8Z 8682.551062 268 1 35.95 2 66.98 121.94 21.67 180.44 0.00 1 0.00 1 0 25 3.108e-02 1.064e-02 5.620e-03 7.686e-04 3.435606e-01 4.046927e-04 4.235283e-03 -6.000000e+00 1.847488e-02 226.60 -2.00 3.51 -2.00 318.77 0.00e+00 2.120228e-03 8.944767e-05 1.209678e-03 -6.000000e+00 8.227702e-04 284.90 -2.00 20.00 -2.00 318.04 0.00e+00 2.537 0.000 302.00 328.00 3 1.7377e+00 1.1066e-03 3.1134e-02 -6.0000e+00 4.5727e-02 2.3617e-03 1.2682e-03 1.8267e-02 -6.0000e+00 4.9441e-02 5.8673e-03 8.7456e-04 9.3341e-03 -6.0000e+00 2.9516e-02 -1.0737e-02 4.5912e-04 2.8912e-03 -6.0000e+00 1.2699e-02 4.8187e-03 1.8769e-04 2.3998e-05 3.5004e-05 -6.0000e+00 9.1393e-04 -4.2170e-03 0.0000e+00 12 9 9 12 1 1 99.98 22.89 0.34 -0.00422 -0.00281 324 101 1 5 0 110.600 26.21 20.00 22.89 14.83 21.9 947.02 -3375 -5903 -4334 -9397 -9312 -14087 -6791 -7331 -8701 -10041 -11919 -8377 -6245 -2634 -2053 -730 -1079 982 1901 1358 1425 -1231 1760 -13 511 -1266 -3001 -3102 -2765 -2107 -186 1459 71 -4238 -6866 -5943 -4312 -1697 -402 -850 -385 -371 305 205 1271 925 546 -128 -475 544 976 1394 1464 1471 804 1577 425 -367 -315 -95 1580 2586 3395 2455 492 -905 -1029 -428 1881 1519 1106 1586 909 927 -437 -1677 -2882 -3299 -1955 -2206 -1987 -2355 -2579 -1526 -142 391 1366 1378 1577 1400 366 -713 -1792 -836 -624 -308 628 1270 467 -632 -1536 -2218 -867 -586 -1586 -1767 -1064 -763 832 1372 1288 817 452 -252 -562 -347 138 196 1021 307 658 680 1279 684 639 -871 -769 501 -133 -340 -1057 -1242 -467 36 167 126 741 763 617 -74 -352 -1408 -133 -261 -191 -410 -375 -583 -282 -346 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