File name: Pandora177s1_WestportCT_20231004_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T033713.3Z 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_20231004_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: 20231004 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 20231004T124841.1Z 8677.533809 283 1 48.65 2 69.89 115.30 48.24 271.07 0.00 1 0.00 1 0 17 4.897e-02 1.151e-02 2.057e-02 2.554e-03 3.263059e-01 1.346458e-03 4.090559e-03 -6.000000e+00 2.917404e-02 227.15 -2.00 3.51 -2.00 319.16 0.00e+00 2.053651e-03 3.297962e-04 1.641417e-03 -6.000000e+00 1.299669e-03 285.51 -2.00 20.00 -2.00 318.40 0.00e+00 2.877 0.000 302.00 328.00 3 3.6875e+00 3.7447e-03 3.3724e-02 -6.0000e+00 7.2286e-02 -2.9455e-02 4.3306e-03 1.8500e-02 -6.0000e+00 7.8115e-02 7.4735e-03 3.0673e-03 9.1944e-03 -6.0000e+00 4.6631e-02 -9.6452e-03 1.5995e-03 2.6196e-03 -6.0000e+00 2.0054e-02 5.2202e-04 -9.3923e-05 8.1333e-05 3.2229e-05 -6.0000e+00 1.4402e-03 -5.1780e-03 0.0000e+00 12 8 8 10 0 0 98.98 23.16 0.31 -0.00518 -0.00588 44 10 1 5 0 1105.460 26.51 20.00 23.16 23.86 22.3 1006.54 -3183 -22313 -4455 -408 -20223 -18022 -25490 -13856 -16324 -9641 -13785 -5086 -4928 -35 -1781 -187 2417 -1111 3222 -1549 2832 2423 -476 -2185 1322 -3045 -5304 -3405 -7681 588 -1536 2675 1847 -4927 -6516 -8721 -4674 -2172 545 1217 526 789 764 713 2001 1534 192 -67 -766 621 888 1064 1255 1156 211 1189 -452 -374 -596 -113 2976 3318 3474 2727 180 -1547 -1553 470 2510 2420 1246 1981 889 138 -126 -2741 -3009 -3213 -1863 -2959 -2047 -2548 -2518 -1970 -82 608 1134 1533 1740 1476 472 -848 -1951 -1187 -790 -295 709 1153 806 -292 -1832 -2000 -1153 -841 -1905 -1946 -1193 -542 1009 1602 1401 1237 479 -299 -397 -544 -115 220 904 447 706 920 1255 675 617 -452 -1084 426 -127 -225 -994 -1186 -793 -172 -28 -88 819 903 779 -42 -386 -1345 -102 -950 -176 -15 -816 -696 -1143 -625 -825 -473 -721 -263 -296 -2 -142 -16 218 -110 319 -167 298 258 -54 -266 165 -406 -712 -431 -985 71 -207 384 288 -831 -1079 -1490 -853 -462 134 340 161 254 253 240 671 518 65 -23 -261 216 329 426 535 517 99 565 -221 -181 -287 -54 1460 1765 2010 1675 112 -924 -879 265 1521 1641 922 1498 671 100 -84 -1708 -1742 -1852 -1150 -2098 -1619 -2222 -2346 -1936 -85 665 1297 1619 1993 1623 486 -812 -1779 -1088 -782 -324 861 1386 1015 -363 -2361 -2388 -1334 -1015 -2490 -2450 -1564 -743 1457 2463 2261 2009 753 -443 -549 -797 -171 312 1355 704 1120 1427 1878 978 940 -663 -1561 625 -203 -352 -1642 -2020 -1394 -316 -54 -179 1693 1890 1628 -87 -761 -2587 SS 20231004T125821.0Z 8677.540521 286 1 48.78 2 68.26 117.20 50.00 272.57 0.00 1 0.00 1 0 17 2.835e-02 1.082e-02 7.632e-03 1.152e-03 3.055725e-01 6.065698e-04 3.787018e-03 -6.000000e+00 1.689144e-02 227.15 -2.00 3.51 -2.00 318.85 0.00e+00 1.776179e-03 1.338322e-04 1.192415e-03 -6.000000e+00 7.524871e-04 285.51 -2.00 20.00 -2.00 318.07 0.00e+00 2.675 0.000 302.00 328.00 3 2.5099e+00 1.6652e-03 3.1223e-02 -6.0000e+00 4.1853e-02 -2.9120e-02 1.9087e-03 1.6590e-02 -6.0000e+00 4.5227e-02 8.3766e-03 1.2968e-03 8.2718e-03 -6.0000e+00 2.6999e-02 -1.0644e-02 6.7102e-04 2.4186e-03 -6.0000e+00 1.1611e-02 2.1208e-03 -7.6542e-05 3.6899e-05 3.0241e-05 -6.0000e+00 8.3386e-04 -5.2318e-03 0.0000e+00 12 8 8 10 0 0 94.01 23.19 0.27 -0.00523 -0.00581 223 51 1 5 0 218.700 26.51 20.00 23.19 24.59 22.3 1012.37 -5848 945 -3153 -7028 -7899 -8292 -9395 -10112 -8685 -11299 -9144 -7818 -1039 -2420 -1136 153 -1910 1479 115 1501 -1146 746 817 2231 1387 -819 -2278 -3738 -2052 -1952 379 562 1055 -3143 -6220 -5076 -4898 -1442 -730 -801 -673 19 200 860 950 770 270 -628 -786 -538 1592 1191 1200 1229 593 1523 115 -737 -600 347 1516 2695 3414 2799 724 -1150 -1280 -886 2047 1499 1182 1682 1150 1341 -267 -1706 -2944 -3192 -1850 -2122 -2207 -2286 -2704 -1448 -266 307 1296 1478 1701 1266 662 -818 -1824 -518 -652 -352 336 1394 419 -600 -1476 -2201 -1078 -457 -1585 -2254 -1101 -842 828 1354 1477 882 454 -307 -679 -561 -53 178 933 518 639 786 1159 608 778 -639 -783 491 17 -376 -958 -1313 -550 -42 264 136 630 878 491 100 -374 -1410 -274 45 -158 -343 -358 -369 -455 -557 -515 -712 -574 -520 -74 -207 -110 16 -218 171 14 189 -151 97 109 310 206 -127 -353 -562 -294 -283 58 95 191 -598 -1179 -959 -1026 -348 -208 -260 -238 7 76 327 364 295 103 -239 -299 -210 650 526 564 604 303 791 61 -394 -316 183 827 1578 2154 1867 487 -739 -777 -542 1334 1097 935 1363 926 1028 -192 -1127 -1818 -1957 -1210 -1576 -1843 -2092 -2653 -1351 -262 322 1414 1641 1862 1332 650 -821 -1735 -491 -668 -364 384 1723 545 -770 -1774 -2467 -1170 -517 -1941 -2941 -1489 -1194 1231 2140 2437 1466 727 -462 -954 -758 -73 255 1418 828 1032 1244 1767 896 1095 -870 -1038 663 25 -594 -1591 -2248 -966 -77 512 277 1305 1687 1030 205 -741 -2728 SS 20231004T131640.6Z 8677.553247 296 1 48.71 2 65.25 120.94 53.34 275.31 0.00 1 0.00 1 0 17 2.120e-02 1.132e-02 1.249e-03 2.852e-04 2.726235e-01 1.484717e-04 3.320748e-03 -6.000000e+00 1.263154e-02 227.15 -2.00 3.51 -2.00 318.13 0.00e+00 1.623308e-03 2.678266e-05 7.560715e-04 -6.000000e+00 5.626617e-04 285.50 -2.00 20.00 -2.00 317.36 0.00e+00 2.372 0.000 302.00 328.00 3 4.3941e-01 3.9698e-04 2.7511e-02 -6.0000e+00 3.1298e-02 -2.1284e-02 4.4851e-04 1.4135e-02 -6.0000e+00 3.3820e-02 3.6824e-03 2.8452e-04 7.0252e-03 -6.0000e+00 2.0190e-02 -7.8402e-03 1.4548e-04 2.0982e-03 -6.0000e+00 8.6838e-03 2.3608e-02 -1.2941e-04 8.9320e-06 2.2853e-05 -6.0000e+00 6.2351e-04 -5.8458e-03 0.0000e+00 12 8 8 10 0 0 3.35 23.25 0.32 -0.00585 -0.00682 1428 328 1 5 0 34.010 26.62 20.00 23.25 26.67 22.6 1027.98 478 -622 -1909 -5448 -5739 -6622 -3568 -2548 -3089 -6953 -8001 -6628 -3793 -1179 137 256 190 1874 1474 2412 920 456 1292 1350 1143 -157 -1287 -2166 -1621 -1471 902 1062 390 -3852 -6443 -5207 -4225 -1187 -320 -624 -687 -50 422 431 1245 843 280 -247 -639 39 1231 1212 1305 1209 626 1442 396 -271 -510 93 1309 2514 3099 2542 377 -1152 -1331 -857 1832 1503 1111 1504 1067 1196 -253 -1553 -2806 -3451 -2174 -2248 -2350 -2443 -2840 -1604 -267 435 1465 1382 1761 1399 522 -814 -1801 -741 -667 -239 650 1391 550 -523 -1599 -2279 -1032 -519 -1640 -1957 -1008 -821 812 1430 1440 984 541 -120 -597 -406 -34 205 976 508 688 747 1235 704 807 -707 -804 434 -6 -308 -972 -1268 -518 -34 258 98 673 817 544 -59 -464 -1495 35 -49 -154 -426 -413 -466 -261 -208 -276 -665 -781 -677 -428 -151 20 40 31 318 262 439 173 86 247 272 244 -35 -282 -456 -326 -297 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