File name: Pandora177s1_WestportCT_20230607_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T022704.0Z 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_20230607_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: 20230607 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 20230607T115445.2Z 8558.496357 240 1 50.23 2 63.80 81.80 84.53 228.88 0.00 1 0.00 1 0 25 1.228e-01 1.289e-02 1.082e-01 6.911e-03 3.669334e-01 3.713145e-03 4.720249e-03 -6.000000e+00 7.461923e-02 232.47 -2.00 3.51 -2.00 319.66 0.00e+00 2.341005e-03 1.044217e-03 2.488561e-03 -6.000000e+00 3.263819e-03 285.80 -2.00 20.00 -2.00 318.92 0.00e+00 2.251 0.000 302.00 328.00 3 5.5278e+00 1.0671e-02 3.1384e-02 -6.0000e+00 1.8727e-01 -5.1467e-02 1.2519e-02 2.3103e-02 -6.0000e+00 2.0158e-01 1.5417e-02 9.3835e-03 1.1360e-02 -6.0000e+00 1.1982e-01 -1.4063e-02 4.8551e-03 3.0467e-03 -6.0000e+00 5.0971e-02 1.3928e-04 9.5553e-04 2.2202e-04 4.7797e-05 -6.0000e+00 3.6173e-03 -5.1992e-03 0.0000e+00 12 8 8 10 0 0 73.98 23.22 0.99 -0.00520 0.00198 14 3 1 5 0 3587.580 26.62 20.00 23.22 18.04 20.6 979.03 93201 19267 -13942 -16420 -13852 42564 -50303 -6029 -24224 -48140 7024 -40965 5020 -11571 -7086 5023 3756 5891 -13599 -7408 -6528 124 -3467 862 142 7485 -15654 -7974 -3637 -4313 4553 -6466 9861 -6252 5002 -8803 -2747 803 2946 -3595 544 1436 -359 -2945 2853 4340 -2112 131 -3055 -231 3673 4574 -767 3921 2356 1087 112 68 -418 805 2647 1279 4151 3062 1805 -1671 -1798 -394 2384 3458 1879 1877 2876 2099 -80 -1776 -3991 -4625 -3509 -3422 -1923 -1114 -2411 -1276 492 209 1544 713 2083 626 486 -1262 -2210 -974 -1050 -1183 333 1555 -239 -659 -1606 -2568 -188 -252 -1312 -1991 -1266 -666 949 2150 779 937 223 -741 -321 -354 -687 24 650 131 1481 1683 1314 702 198 -296 -642 214 -369 -543 -534 -1815 -346 374 493 127 1114 1114 295 -476 -678 -1419 785 373 -382 -436 -333 612 -1864 -173 -914 -2401 208 -2153 196 -639 -436 305 248 405 -1197 -639 -569 10 -305 77 14 686 -1779 -810 -346 -428 458 -816 1143 -859 595 -1222 -402 136 582 -866 137 378 -99 -848 783 1180 -610 37 -897 -69 1130 1512 -286 1466 927 445 47 28 -172 331 1125 602 2072 1630 965 -872 -897 -199 1291 2071 1229 1261 1881 1314 -47 -1030 -2205 -2582 -2122 -2357 -1374 -866 -2030 -1126 456 207 1585 750 2130 620 479 -1162 -1949 -866 -1020 -1290 373 1883 -306 -828 -1882 -3006 -210 -295 -1660 -2682 -1658 -915 1375 3309 1275 1539 355 -1112 -480 -512 -1014 37 1062 209 2510 2778 2103 1087 295 -422 -898 308 -582 -927 -955 -3394 -662 698 973 262 2335 2361 626 -989 -1350 -2743 SS 20230607T120035.9Z 8558.500416 243 1 50.20 2 62.71 82.69 85.32 229.88 0.00 1 0.00 1 0 25 8.814e-02 1.308e-02 7.183e-02 6.391e-03 3.570416e-01 3.426411e-03 4.373963e-03 -6.000000e+00 5.353767e-02 232.47 -2.00 3.51 -2.00 319.48 0.00e+00 2.215445e-03 9.020944e-04 1.801113e-03 -6.000000e+00 2.342343e-03 285.80 -2.00 20.00 -2.00 318.72 0.00e+00 2.169 0.000 302.00 328.00 3 5.4719e+00 9.7110e-03 2.9573e-02 -6.0000e+00 1.3436e-01 -3.3042e-02 1.1320e-02 2.0448e-02 -6.0000e+00 1.4464e-01 8.5113e-03 8.3512e-03 1.0391e-02 -6.0000e+00 8.5975e-02 -1.4692e-02 4.3291e-03 3.0582e-03 -6.0000e+00 3.6563e-02 1.6069e-04 6.0427e-04 2.0470e-04 3.9657e-05 -6.0000e+00 2.5960e-03 -3.5087e-03 0.0000e+00 12 8 8 10 0 0 82.87 23.22 0.57 -0.00351 0.00103 15 3 1 5 0 3345.550 26.62 20.00 23.22 18.18 20.7 979.99 -779 -7072 54725 -21539 -15309 -55567 -17769 6339 -7060 -33684 6509 -6030 18920 -40 -5497 6048 -2566 8075 16474 -1495 14266 -2493 6415 3422 5268 -17974 -5377 3811 -962 2910 -1145 -88 -4097 -7939 -9851 -5147 -6059 -7083 809 -1799 -1483 -1646 1412 -2186 2075 1066 788 -1599 1342 350 1418 3524 -742 2323 2797 3710 488 -995 -890 400 3225 2380 5020 2359 1455 -641 -1955 -1977 1614 1659 1712 2566 -172 3071 307 -1610 -4084 -4184 -2513 -2528 -1707 -2830 -4665 -2525 352 -53 1161 1565 2281 2004 540 -1075 -1881 -108 -1299 142 708 2289 117 -1388 -1474 -2800 -936 -747 -2008 -1565 -442 -314 1278 1666 720 1076 27 -323 -548 -661 138 296 768 735 838 98 1743 297 628 -208 -1737 -702 -92 -560 -1042 -906 -538 -150 418 752 625 541 480 241 -230 -1614 -20 -212 895 -713 -441 -2359 -561 178 -247 -1600 213 -244 700 -2 -360 417 -194 621 1225 -138 1150 -239 581 340 545 -2404 -623 388 -100 301 -136 -12 -606 -1230 -1506 -761 -1012 -1430 180 -468 -419 -490 420 -684 628 327 241 -498 409 112 482 1269 -298 949 1177 1589 218 -448 -395 177 1458 1183 2649 1346 830 -352 -1034 -1068 929 1066 1182 1804 -122 2007 190 -917 -2217 -2277 -1469 -1682 -1269 -2334 -4184 -2349 339 -54 1244 1699 2422 2037 517 -958 -1600 -92 -1218 147 813 2831 154 -1805 -1774 -3154 -1013 -843 -2457 -2016 -591 -442 1894 2639 1207 1803 45 -493 -782 -912 192 434 1191 1189 1360 157 2645 440 949 -302 -2501 -1039 -146 -904 -1774 -1586 -974 -286 834 1562 1331 1166 1030 503 -461 -3170 SS 20230607T120604.5Z 8558.504219 246 1 48.87 2 61.68 83.52 86.07 230.81 0.00 1 0.00 1 0 17 5.901e-02 1.145e-02 4.602e-02 4.980e-03 3.524147e-01 2.676061e-03 4.383439e-03 -6.000000e+00 3.585338e-02 232.47 -2.00 3.51 -2.00 319.35 0.00e+00 2.095199e-03 6.794061e-04 1.797286e-03 -6.000000e+00 1.568288e-03 285.80 -2.00 20.00 -2.00 318.58 0.00e+00 2.098 0.000 302.00 328.00 3 5.2871e+00 7.5382e-03 2.8951e-02 -6.0000e+00 8.9981e-02 -1.8755e-02 8.7261e-03 2.0282e-02 -6.0000e+00 9.6857e-02 -9.0568e-04 6.2480e-03 1.0080e-02 -6.0000e+00 5.7573e-02 -1.1373e-02 3.2367e-03 2.8477e-03 -6.0000e+00 2.4490e-02 2.0736e-04 6.4348e-04 1.5882e-04 3.9898e-05 -6.0000e+00 1.7381e-03 -4.9019e-03 0.0000e+00 12 8 8 10 0 0 75.91 23.23 0.49 -0.00490 -0.00007 17 4 1 5 0 2874.140 26.62 20.00 23.23 18.40 20.7 981.70 18156 -13037 -3585 -14614 -15516 -8869 -18680 17305 -27565 -11723 -26510 -18593 -1311 -7966 588 -9325 7758 -6178 10242 -5859 1914 5662 -6487 -1209 -6441 5446 696 -2222 1183 -159 4631 -3508 4609 -6845 -1761 -13032 56 -2702 2461 839 -1801 721 -1899 1262 514 3653 -764 2622 160 -1392 742 1274 -169 305 3014 902 1609 142 -1729 1280 -1252 3565 2783 3722 -69 1372 579 -4 2875 812 956 1439 2128 -186 -125 -2555 -3226 -3624 -3423 -2224 -2510 -1609 -2239 -1222 -797 1240 1427 1096 1956 1242 -66 -2466 -793 -1844 -203 -1013 894 839 7 -806 -1629 -1611 -670 188 -1374 -1912 -516 -640 1431 1476 1518 821 1003 -557 -277 -876 -308 21 107 1064 223 776 1131 316 689 -427 -823 -99 -215 -729 -815 -1682 -308 140 144 421 944 976 -302 222 -456 -1000 457 -491 -124 -532 -527 -277 -697 509 -1389 -523 -1408 -993 -69 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