File name: Pandora177s1_WestportCT_20231021_L2Fit_fout2c3d20221101p1-8.txt File generation date: 20231024T204708.3Z 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: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v3d20221101.txt Level 1 file used: Pandora177s1_WestportCT_20231021_L1_smca1c3d20221101p1-8.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: 20231021 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: 218 360 Nominal wavelengths inside fitting window [nm]: 305.0382 305.1790 305.3198 305.4607 305.6015 305.7423 305.8831 306.0238 306.1646 306.3054 306.4461 306.5868 306.7276 306.8683 307.0090 307.1497 307.2904 307.4310 307.5717 307.7124 307.8530 307.9936 308.1343 308.2749 308.4155 308.5561 308.6967 308.8372 308.9778 309.1184 309.2589 309.3994 309.5400 309.6805 309.8210 309.9615 310.1019 310.2424 310.3829 310.5233 310.6638 310.8042 310.9446 311.0850 311.2254 311.3658 311.5062 311.6466 311.7869 311.9273 312.0676 312.2079 312.3482 312.4885 312.6288 312.7691 312.9094 313.0497 313.1899 313.3302 313.4704 313.6106 313.7508 313.8910 314.0312 314.1714 314.3116 314.4517 314.5919 314.7320 314.8721 315.0123 315.1524 315.2925 315.4325 315.5726 315.7127 315.8527 315.9928 316.1328 316.2728 316.4129 316.5529 316.6928 316.8328 316.9728 317.1128 317.2527 317.3926 317.5326 317.6725 317.8124 317.9523 318.0922 318.2320 318.3719 318.5118 318.6516 318.7914 318.9313 319.0711 319.2109 319.3507 319.4904 319.6302 319.7700 319.9097 320.0494 320.1892 320.3289 320.4686 320.6083 320.7480 320.8876 321.0273 321.1669 321.3066 321.4462 321.5858 321.7254 321.8650 322.0046 322.1442 322.2837 322.4233 322.5628 322.7024 322.8419 322.9814 323.1209 323.2604 323.3998 323.5393 323.6788 323.8182 323.9576 324.0971 324.2365 324.3759 324.5153 324.6546 324.7940 324.9334 --------------------------------------------------------------------------------------- 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 20231021T180121.9Z 8694.750948 272 1 48.56 2 55.36 205.14 93.98 123.43 0.00 1 0.00 1 0 17 6.387e-02 2.208e-02 6.438e-02 1.805e-02 2.298154e-01 9.263420e-03 2.810862e-03 -6.000000e+00 3.764849e-02 225.38 -2.00 3.51 -2.00 317.90 0.00e+00 -1.164468e-03 1.544644e-03 8.633726e-04 -6.000000e+00 1.691912e-03 283.41 -2.00 20.00 -2.00 317.09 0.00e+00 1.754 0.000 302.00 328.00 3 6.9880e+00 2.4626e-02 2.1259e-02 -6.0000e+00 9.2882e-02 2.6063e-02 2.7988e-02 1.3025e-02 -6.0000e+00 1.0111e-01 8.2900e-03 1.6941e-02 5.6299e-03 -6.0000e+00 6.0403e-02 -4.4451e-04 8.2292e-03 2.2731e-03 -6.0000e+00 2.5208e-02 6.5004e-05 -1.4658e-03 5.9218e-04 2.5995e-05 -6.0000e+00 1.9382e-03 5.3703e-02 -2.6170e-04 12 8 8 10 0 0 99.97 23.03 0.13 0.05370 0.04269 23 5 1 5 0 2110.890 26.41 20.00 23.03 19.76 22.2 980.33 -9770 1188 -11148 9395 10497 10131 19829 -36020 9471 -25869 9204 -9378 271 13315 15073 13060 -10698 -3035 133 17965 7016 5818 -805 13217 -4061 6717 9554 -3481 2909 -9523 9145 -6125 -3781 -5040 -4205 5013 2916 5597 -5650 -3344 -3971 -3300 2847 -3083 5639 -687 -500 1909 1347 -5693 1934 50 -897 534 236 4766 2741 5013 704 4212 -3015 3848 5831 -2206 70 -102 594 -1190 1386 1997 1278 225 968 -2136 -3263 -709 -584 -5708 -4430 -84 -5413 -2518 -3377 -2312 1454 531 4834 1433 4440 -1551 -152 -1041 -3304 -3162 -1852 1101 593 2232 -1272 578 375 -2267 -604 -1441 -2180 -2406 -852 -572 2139 1671 2389 2034 -152 -3062 -463 575 283 1266 720 502 -1075 2571 3130 795 520 -859 -1543 -389 -1713 -1843 -577 -2008 1489 477 -1070 -349 -1524 2676 1500 1206 -1021 -1460 -197 -1062 123 -1293 879 889 836 1593 -5707 1042 -4184 1053 -1341 39 1890 2339 2213 -2390 -648 28 3301 1459 1229 -186 2807 -1086 1648 2218 -869 643 -2337 1942 -1631 -1036 -1398 -1115 1214 793 1749 -2338 -1535 -1988 -1714 1416 -1632 2724 -349 -248 897 667 -3060 1010 28 -542 331 151 2981 1770 3142 455 2630 -2098 2674 4250 -1807 55 -74 402 -816 999 1585 1100 202 857 -1870 -2681 -514 -386 -3846 -3104 -62 -4733 -2329 -3353 -2402 1549 610 5589 1749 5201 -1849 -166 -1043 -3141 -2965 -1813 1146 683 2738 -1681 736 446 -2579 -661 -1654 -2689 -3149 -1147 -802 3070 2544 3738 3184 -233 -4797 -654 766 379 1759 1071 789 -1747 3977 4661 1162 727 -1155 -2016 -508 -2402 -2751 -884 -3185 2339 790 -1893 -640 -2906 4957 2809 2218 -1853 -2572 -341 SS 20231021T181315.0Z 8694.759201 281 1 5.17 2 56.37 208.45 92.19 125.25 0.00 1 0.00 1 0 17 2.267e-02 1.160e-02 1.309e-02 5.263e-03 2.403713e-01 2.724073e-03 2.886092e-03 -6.000000e+00 1.336305e-02 225.38 -2.00 3.51 -2.00 316.82 0.00e+00 1.153936e-03 3.552346e-04 3.406044e-04 -6.000000e+00 6.003994e-04 283.41 -2.00 20.00 -2.00 316.08 0.00e+00 1.800 0.000 302.00 328.00 3 4.4687e+00 7.0956e-03 2.1633e-02 -6.0000e+00 3.2968e-02 3.8524e-02 7.9889e-03 1.2044e-02 -6.0000e+00 3.5887e-02 -4.2099e-03 4.6604e-03 5.9443e-03 -6.0000e+00 2.1440e-02 -6.7859e-03 2.1816e-03 1.7125e-03 -6.0000e+00 8.9467e-03 7.5365e-04 -6.1064e-04 1.6629e-04 2.1197e-05 -6.0000e+00 6.8785e-04 5.7145e-02 -1.2038e-04 12 9 9 12 1 1 999.00 23.05 0.48 0.05715 0.05256 2 6 1 5 0 1722.540 26.41 20.00 23.05 19.96 22.3 981.99 1680 -2532 12897 -220 -7424 -5998 -5812 -5374 -1454 -4756 -916 22 3766 -506 -3443 -3385 936 -2411 1437 3768 1035 -337 5610 -797 432 -248 -1751 -458 660 277 3549 1915 2178 -2160 -4721 -6412 -2231 1262 -2351 -772 92 -468 1142 215 373 428 -942 -1115 -1465 515 1452 1401 1588 1257 779 1356 -713 405 116 -107 1016 2735 3136 2112 -572 -1952 -631 279 2550 1083 390 1873 571 907 195 -2228 -1828 -2794 -1738 -1823 -2314 -2279 -2859 -1364 -605 -85 768 674 814 1054 1169 -663 -1171 166 -583 -742 867 1540 10 -509 -977 -2156 -403 -505 -1419 -1861 -985 -1171 1392 1202 1695 660 420 -257 -179 7 378 -106 883 663 552 658 1435 64 1197 -455 -358 352 356 -459 -826 -809 181 -905 87 -220 678 685 223 390 -91 -1238 -712 246 -413 1792 -33 -1080 -831 -855 -879 -248 -859 -160 4 737 -118 -874 -925 256 -707 419 1106 316 -104 1665 -264 149 -87 -610 -150 204 85 1114 662 792 -820 -1772 -2452 -900 579 -1239 -453 54 -292 716 137 238 270 -590 -683 -888 329 911 937 1119 922 590 1041 -534 314 89 -83 810 2179 2670 1886 -514 -1659 -494 228 2085 994 368 1795 549 875 175 -1859 -1470 -2210 -1442 -1599 -2270 -2310 -3100 -1467 -688 -103 921 825 983 1274 1309 -723 -1193 165 -623 -831 1053 1922 13 -659 -1243 -2582 -465 -606 -1835 -2442 -1340 -1595 1950 1783 2591 1016 619 -370 -239 9 484 -143 1254 948 804 945 2067 89 1584 -609 -463 460 471 -653 -1226 -1174 267 -1412 135 -359 1127 1154 377 645 -146 -1941 -1157 SS 20231021T200009.7Z 8694.833445 347 1 10.73 2 69.71 233.96 78.19 143.55 0.00 1 0.00 1 0 25 4.157e-02 9.877e-03 2.273e-02 2.897e-03 3.660768e-01 1.493982e-03 4.366840e-03 -6.000000e+00 2.452617e-02 225.37 -2.00 3.51 -2.00 318.84 0.00e+00 1.898250e-03 3.441506e-04 1.168820e-03 -6.000000e+00 1.100570e-03 283.40 -2.00 20.00 -2.00 318.10 0.00e+00 2.854 0.000 302.00 328.00 3 3.0225e+00 4.0871e-03 3.4096e-02 -6.0000e+00 6.0512e-02 5.3638e-03 4.7144e-03 1.8969e-02 -6.0000e+00 6.5845e-02 4.0735e-03 3.2628e-03 9.6598e-03 -6.0000e+00 3.9341e-02 -9.7584e-03 1.6835e-03 3.0099e-03 -6.0000e+00 1.6435e-02 9.6687e-04 7.2761e-04 9.1619e-05 3.7106e-05 -6.0000e+00 1.2611e-03 5.3332e-02 1.6621e-05 12 9 9 12 1 1 99.12 23.10 0.34 0.05333 0.05880 13 15 1 5 0 765.780 26.41 20.00 23.10 19.89 22.2 981.30 -2493 2969 -10679 -4410 -7794 -10408 -11751 -11029 -18148 -16955 -23385 -12688 -6714 -1739 4298 -4603 236 2347 161 2109 -3727 2308 -464 1319 -1023 -1204 -4731 -4647 -5858 -3084 -41 1652 334 -5672 -3345 -5173 -3764 -1690 -83 -20 -656 61 -238 1234 1079 785 -988 -1041 381 1190 2183 513 1488 2097 1428 1480 430 -137 219 251 2052 4203 3143 1915 931 -1432 -719 -583 2428 946 684 815 646 650 -591 -1961 -1804 -2570 -1553 -1763 -2566 -2619 -2191 -1569 -121 431 949 499 1068 1574 629 -151 -1251 -509 -190 -15 115 1324 246 -926 -1435 -1571 -532 11 -1650 -1895 -1238 -857 1131 784 1327 560 148 -148 25 266 178 407 812 424 450 592 1078 752 652 -420 -488 689 138 -563 -831 -1185 -249 -121 182 -44 530 799 227 62 -366 -1039 -92 -87 107 -450 -166 -282 -379 -468 -492 -954 -920 -1401 -746 -434 -128 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