File name: Pandora177s1_WestportCT_20240512_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T054840.2Z 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_20240512_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: 20240512 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 20240512T155050.6Z 8898.660308 263 1 48.50 2 26.01 146.63 64.32 76.18 0.00 1 0.00 1 0 17 1.971e-02 1.247e-02 8.957e-03 3.326e-03 2.197814e-01 1.759944e-03 2.634152e-03 -6.000000e+00 1.189584e-02 230.94 -2.00 3.51 -2.00 317.12 0.00e+00 1.130471e-03 2.369981e-04 4.065072e-04 -6.000000e+00 5.184455e-04 283.31 -2.00 20.00 -2.00 316.38 0.00e+00 1.112 0.000 302.00 328.00 3 5.8554e+00 4.6461e-03 1.6066e-02 -6.0000e+00 2.9767e-02 3.9264e-02 5.1877e-03 1.1225e-02 -6.0000e+00 3.2103e-02 -1.7465e-03 3.0634e-03 5.5112e-03 -6.0000e+00 1.9077e-02 -8.1437e-03 1.4687e-03 1.5931e-03 -6.0000e+00 8.1123e-03 3.7185e-04 4.0592e-04 1.0366e-04 1.8069e-05 -6.0000e+00 5.8041e-04 1.9543e-03 0.0000e+00 12 9 8 11 8 0 97.50 22.85 0.46 0.00195 0.00500 18 4 1 5 0 2693.790 26.21 20.00 22.85 17.55 24.3 986.72 1927 2430 3206 3053 -3374 -6385 -5451 1725 -3224 -6230 -202 -4006 -1719 -2037 1138 -1642 12 2065 2233 2311 -1441 1855 2263 2541 599 -640 -764 -1530 -1188 1390 2551 92 229 -3216 -5554 -5324 -6030 -178 187 -782 -510 -511 -758 -310 898 -702 -1282 10 -109 384 2387 841 1887 1261 963 1629 758 -645 92 452 1441 2652 2705 1929 -318 -1271 -2388 -677 2057 739 1560 1607 1478 2175 -350 -1514 -2918 -3700 -2216 -2303 -1931 -3035 -3127 -1493 -151 605 1320 1430 1650 1311 170 -1356 -1942 -899 -555 -1032 277 1380 513 -951 -1759 -1984 -898 -821 -1945 -1308 -770 -999 972 1821 1663 989 436 -465 264 -547 -819 44 755 808 538 1266 908 794 266 -121 -1128 148 -280 -582 -539 -987 -646 582 282 190 536 837 577 -268 -932 -1291 269 357 460 405 -434 -821 -744 245 -518 -1049 -32 -688 -322 -436 263 -417 3 540 601 638 -417 517 639 750 189 -207 -239 -455 -334 378 723 29 75 -1079 -1823 -1754 -2221 -73 90 -427 -298 -310 -469 -192 547 -429 -768 6 -61 219 1400 532 1241 863 677 1156 546 -465 65 321 1059 2070 2255 1669 -272 -1010 -1787 -499 1609 649 1453 1533 1392 1940 -295 -1160 -2074 -2793 -1760 -1898 -1759 -3025 -3299 -1635 -174 739 1676 1841 2086 1583 191 -1401 -1875 -858 -563 -1157 338 1794 693 -1263 -2179 -2295 -1016 -977 -2501 -1762 -1076 -1457 1465 2867 2699 1596 669 -664 346 -694 -1055 59 1079 1213 821 1880 1306 1094 351 -152 -1488 197 -370 -819 -783 -1464 -981 913 468 329 946 1492 1028 -470 -1581 -2131 SS 20240512T160611.0Z 8898.670961 270 1 47.02 2 24.58 154.48 61.60 78.30 0.00 1 0.00 1 0 17 2.065e-02 1.263e-02 8.663e-03 3.258e-03 2.205898e-01 1.725532e-03 2.649688e-03 -6.000000e+00 1.246269e-02 230.95 -2.00 3.51 -2.00 317.09 0.00e+00 1.333778e-03 2.301297e-04 3.818989e-04 -6.000000e+00 5.431524e-04 283.31 -2.00 20.00 -2.00 316.35 0.00e+00 1.099 0.000 302.00 328.00 3 5.9245e+00 4.5517e-03 1.6027e-02 -6.0000e+00 3.1185e-02 4.7652e-02 5.0814e-03 1.1289e-02 -6.0000e+00 3.3633e-02 -3.5138e-03 2.9955e-03 5.5496e-03 -6.0000e+00 1.9987e-02 -9.4791e-03 1.4334e-03 1.6495e-03 -6.0000e+00 8.4988e-03 3.4968e-04 1.2090e-04 1.0138e-04 1.8265e-05 -6.0000e+00 6.0807e-04 1.9734e-03 0.0000e+00 12 8 8 10 0 0 94.81 22.86 0.70 0.00197 0.00288 12 3 1 5 0 3918.120 26.21 20.00 22.86 18.01 24.3 989.11 2806 5592 -3199 10 -8012 -6287 -3089 -300 -2765 -6469 -7258 -2807 979 -111 1863 732 -788 474 1267 2018 1730 2344 1143 184 -444 -948 -307 -1353 581 -1513 874 2196 2101 -2189 -5707 -5290 -4471 -699 -35 265 -1455 911 -302 693 1201 398 390 -880 -856 -637 1001 1623 1541 597 672 1937 -194 474 -912 1040 1314 2232 2533 1936 239 -1550 -1941 -1699 2074 766 1395 1376 1024 1280 -719 -1722 -3212 -2375 -1963 -2927 -2685 -3051 -2730 -1556 -12 204 1652 1314 2277 1204 460 -1240 -2306 -918 -1291 -260 535 1383 365 -444 -1788 -2180 -780 -959 -1537 -1398 -1381 -779 1449 1836 1525 1397 306 -422 -248 -125 -554 3 923 838 689 494 993 470 819 -305 -1201 33 -480 -536 -772 -1346 -768 137 242 221 821 1222 444 -153 -646 -1517 391 803 -494 1 -1091 -815 -414 -44 -445 -1098 -1237 -478 180 -23 431 183 -207 127 348 565 490 656 329 56 -142 -309 -96 -405 162 -426 254 679 683 -734 -1893 -1755 -1630 -290 -17 144 -863 548 -187 427 734 243 232 -514 -490 -369 599 1026 1024 414 476 1378 -142 340 -655 738 971 1756 2125 1684 205 -1245 -1455 -1271 1628 675 1307 1322 973 1157 -611 -1329 -2300 -1775 -1558 -2433 -2470 -3049 -2877 -1710 -14 251 2095 1699 2869 1460 517 -1284 -2240 -877 -1321 -290 651 1800 495 -589 -2222 -2532 -883 -1142 -1969 -1886 -1941 -1135 2173 2891 2479 2247 471 -603 -328 -158 -713 5 1318 1258 1050 740 1429 651 1074 -383 -1474 41 -636 -753 -1124 -2004 -1168 216 401 381 1446 2170 792 -268 -1094 -2513 SS 20240512T161143.1Z 8898.674804 273 1 49.14 2 24.16 157.49 60.61 79.07 0.00 1 0.00 1 0 17 1.783e-02 1.214e-02 6.421e-03 2.518e-03 2.165789e-01 1.336778e-03 2.601319e-03 -6.000000e+00 1.075930e-02 230.95 -2.00 3.51 -2.00 316.96 0.00e+00 1.006933e-03 1.718035e-04 3.617207e-04 -6.000000e+00 4.688590e-04 283.31 -2.00 20.00 -2.00 316.22 0.00e+00 1.096 0.000 302.00 328.00 3 5.6247e+00 3.5133e-03 1.5827e-02 -6.0000e+00 2.6923e-02 3.9590e-02 3.9162e-03 1.1055e-02 -6.0000e+00 2.9035e-02 -2.1217e-03 2.3054e-03 5.4197e-03 -6.0000e+00 1.7254e-02 -9.2047e-03 1.0979e-03 1.5585e-03 -6.0000e+00 7.3379e-03 4.7954e-04 3.9105e-04 7.8286e-05 1.8269e-05 -6.0000e+00 5.2487e-04 1.1838e-03 0.0000e+00 12 8 8 10 0 0 99.70 22.87 0.36 0.00118 0.00412 16 4 1 5 0 3068.460 26.21 20.01 22.87 18.10 24.4 990.17 -195 3561 -2374 -5358 -5684 -3770 -2493 2632 -1813 -2639 -5497 -3071 -1608 92 248 591 817 663 530 2292 2848 1609 712 1390 1213 -145 -2659 -916 -223 -197 879 2251 -6 -3890 -4178 -5248 -2253 -1050 -21 -1184 92 -722 -418 319 163 852 239 -328 -1479 937 1136 639 1638 1400 906 1752 713 -257 397 171 1495 2657 2425 2421 -26 -1182 -1930 -405 1855 955 1053 1421 679 1103 6 -1680 -2739 -3190 -2177 -2624 -2714 -2523 -3093 -1222 -455 738 1234 1375 1829 1501 177 -1181 -2027 -687 -701 -376 472 1036 395 -382 -2094 -2188 -1279 -307 -2025 -1144 -1100 -797 1068 1530 1629 1035 860 -411 51 -839 -330 -71 485 1013 676 1092 958 501 592 -535 -722 355 -412 -463 -345 -1216 -415 -336 403 284 886 912 536 -263 -745 -1688 -28 530 -369 -792 -767 -484 -363 380 -316 -471 -1005 -573 -329 21 59 149 213 179 147 690 860 490 223 452 414 -51 -924 -295 -67 -59 275 748 -2 -1423 -1464 -1868 -864 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