File name: Pandora206s1_BuffaloNY_20230729_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T055312.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230729_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20230729 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20230729T122523.2Z 8610.517630 108 1 28.00 2 65.86 86.38 154.49 299.59 0.00 1 0.00 1 0 17 3.645e-01 3.071e-02 2.330e-01 2.168e-02 3.231855e-01 1.110740e-02 3.775762e-03 -6.000000e+00 2.095488e-01 232.48 -2.00 3.55 -2.00 318.75 0.00e+00 -1.516520e-04 2.413316e-03 5.314234e-04 -6.000000e+00 1.004981e-02 287.60 -2.00 20.00 -2.00 317.92 0.00e+00 2.427 0.000 302.00 328.00 3 7.6747e+00 3.0814e-02 2.9475e-02 -6.0000e+00 5.2507e-01 8.9960e-02 3.5531e-02 1.7425e-02 -6.0000e+00 5.6817e-01 5.7337e-02 2.4973e-02 8.3837e-03 -6.0000e+00 3.3734e-01 -3.5965e-02 1.3112e-02 2.3230e-03 -6.0000e+00 1.4421e-01 1.4232e-05 -2.4156e-04 6.2414e-04 2.2967e-05 -6.0000e+00 9.4826e-03 -2.3439e-02 4.5014e-04 12 8 8 10 0 0 -40.97 18.67 2.76 -0.02344 -0.02525 7 7 2 8 0 4000.000 14.99 18.67 30.31 21.98 22.09 18.5 1025.88 -9182 900000 64524 40382 900000 900000 274843 49404 41632 191087 121986 900000 -13952 3596 -44647 32166 166275 14109 7920 8510 43664 2046 -2281 20714 34404 -8166 -9363 -12690 8671 11341 137 2191 12422 20581 12878 643 17725 -5745 1854 -786 6497 -1097 8609 451 6279 -3561 -5735 -27632 2819 -3002 7797 2852 -5980 1179 8014 2576 23 2676 -1939 -18152 -7153 4338 2620 2525 -176 -48 -2233 682 -1583 312 -442 3143 9253 540 2719 3655 2532 251 2195 -426 542 4811 -6309 -2707 -11 987 2565 1562 -2315 -278 -517 -69 5075 -3093 2385 -1887 3822 2170 919 1099 3244 -606 -1605 -2740 137 -81 -1992 1143 -1221 -568 612 -443 -4473 -1074 -2071 1940 -300 -3176 -1894 1563 53 -159 2120 2326 6455 -1806 -55 -1224 1467 -1381 3661 -2000 -918 -1140 -843 711 -68 2172 1373 2161 -378 -1218 -2805 -388 900000 1619 1253 900000 900000 5806 1402 1457 4037 2577 900000 -1045 265 -6019 2368 3626 1391 877 981 3776 258 -307 2387 3793 -1406 -1672 -2226 1168 1460 21 355 2004 3383 2142 115 2925 -1346 488 -255 2188 -419 3097 179 2339 -1473 -2397 -14097 1050 -1190 2950 1232 -2997 586 3888 1347 13 1439 -1065 -11550 -4167 2419 1627 1705 -125 -32 -1388 414 -999 221 -351 2525 7019 430 1973 2425 1529 146 1305 -296 422 4008 -6143 -2646 -11 1071 2883 1834 -2848 -323 -556 -69 4456 -2827 2186 -2007 4154 2688 1239 1457 3948 -726 -1791 -3147 168 -101 -2655 1552 -1785 -884 1005 -752 -7665 -1664 -2972 2571 -403 -4574 -2795 2381 83 -246 3231 3388 8514 -2472 -70 -1571 1982 -2067 5528 -3310 -1531 -1973 -1504 1316 -129 4148 2667 4029 -693 -2232 -5063 SS 20230729T142854.5Z 8610.603409 156 1 28.00 2 43.63 110.03 164.12 13.91 0.00 1 0.00 1 0 17 8.493e-02 2.771e-02 7.081e-02 2.011e-02 2.073345e-01 1.016417e-02 2.406576e-03 -6.000000e+00 4.847238e-02 232.47 -2.00 3.55 -2.00 317.36 0.00e+00 5.911923e-04 1.467807e-03 2.234549e-04 -6.000000e+00 2.144845e-03 287.60 -2.00 20.00 -2.00 316.51 0.00e+00 1.380 0.000 302.00 328.00 3 8.7333e+00 2.7159e-02 1.7435e-02 -6.0000e+00 1.2168e-01 2.4445e-02 3.0561e-02 1.0874e-02 -6.0000e+00 1.3164e-01 6.4323e-02 1.8328e-02 5.1893e-03 -6.0000e+00 7.8339e-02 -4.3943e-02 8.9501e-03 1.5489e-03 -6.0000e+00 3.3220e-02 1.6848e-05 -8.0075e-04 5.6661e-04 1.5841e-05 -6.0000e+00 2.1663e-03 -2.3096e-02 2.6658e-04 12 8 8 10 0 0 90.65 18.66 3.83 -0.02310 -0.02911 7 7 2 8 0 4000.000 15.00 18.66 27.39 21.98 22.09 18.5 1008.43 3756 22709 14346 -7063 11164 53337 32626 27019 -9490 5534 9528 1541 -22360 -32464 -7983 14137 17424 14030 -2522 5086 432 -5549 -3809 3128 1068 -10062 -2304 1291 8772 6276 3283 -1273 12598 10359 1914 -7777 -8061 4395 3734 3655 3317 1611 -4146 -301 4721 648 -2264 -15369 1781 -3389 1668 2206 -5925 1375 5374 1543 4162 -428 -793 -5092 -1056 1862 938 3714 315 -450 -3446 -3188 971 -382 -953 4416 1187 9305 -645 1981 -338 857 -4519 -387 -1787 2159 -4332 -106 -1856 -1778 4460 519 -528 574 1076 1344 3815 -12029 1625 -354 3399 1308 -441 689 3210 -230 -1591 -3933 -61 -236 394 620 -704 661 155 -2193 -3269 -435 70 1514 -1122 -1140 -842 118 623 -732 1574 2071 3019 -1815 760 1133 1852 633 2490 -1724 -271 -1447 -1462 3850 -1163 2553 303 211 -112 -1158 -2718 402 2227 1589 -925 1060 3208 2539 2473 -1363 735 1194 207 -4216 -7703 -1682 2657 3285 2814 -621 1204 110 -1482 -1010 819 299 -3272 -704 371 2134 1510 854 -368 3419 3028 563 -2390 -2709 1497 1536 1785 1789 889 -2503 -177 2710 388 -1368 -10220 969 -1910 935 1317 -4025 915 3549 1071 2871 -309 -562 -3732 -762 1396 768 3164 279 -364 -2629 -2322 704 -320 -886 4080 1139 7970 -572 1587 -248 577 -3274 -302 -1582 2028 -4486 -109 -2083 -2149 5336 669 -695 721 1239 1452 3635 -12668 1556 -380 3879 1637 -599 907 4004 -274 -1793 -4664 -76 -313 523 860 -1029 1008 250 -3663 -5292 -634 95 1890 -1425 -1507 -1194 178 966 -1139 2345 2938 3995 -2404 924 1408 2350 864 3497 -2592 -405 -2257 -2429 6401 -2084 4524 556 378 -194 -1969 -4571 SS 20230729T155302.3Z 8610.661832 177 1 28.00 2 30.66 135.52 155.17 59.62 0.00 1 0.00 1 0 17 3.536e-02 1.815e-02 2.580e-02 1.022e-02 1.945298e-01 5.135430e-03 2.303891e-03 -6.000000e+00 2.018259e-02 232.47 -2.00 3.55 -2.00 316.82 0.00e+00 7.754671e-04 6.533894e-04 9.896931e-05 -6.000000e+00 8.930503e-04 287.60 -2.00 20.00 -2.00 316.00 0.00e+00 1.162 0.000 302.00 328.00 3 8.1848e+00 1.3599e-02 1.5441e-02 -6.0000e+00 5.0664e-02 1.2091e-02 1.5240e-02 1.0170e-02 -6.0000e+00 5.4812e-02 2.8271e-02 8.8952e-03 4.9328e-03 -6.0000e+00 3.2618e-02 -1.5973e-02 4.2377e-03 1.4165e-03 -6.0000e+00 1.3833e-02 3.7296e-05 -9.8503e-05 2.8195e-04 1.4246e-05 -6.0000e+00 9.0202e-04 -2.4689e-02 2.0971e-04 12 9 8 11 8 0 69.63 18.64 0.90 -0.02469 -0.02543 7 7 2 8 0 4000.000 15.00 18.64 27.55 21.98 21.98 18.4 1008.14 -5340 13368 2841 -5441 7258 -2264 8359 4012 5717 -5208 12717 -15860 -4789 -4019 -3841 -7294 14446 1548 548 1333 2026 1618 -2916 3607 -522 1324 -3704 2686 -1411 2882 -1876 1225 4109 -257 -630 -5643 -309 -1862 2317 -864 3382 -1859 2289 -1572 4468 -1579 -1530 -6014 -2431 -597 828 -193 -3200 3583 1607 2778 57 444 -2053 -3856 -113 3611 1797 2694 884 -762 -1080 -3442 -1717 -1050 2895 -245 2548 1013 2296 -575 -647 -4207 -3165 -3502 -1128 1919 -2765 336 -1061 1765 1378 2266 101 1424 964 -622 -1043 -2320 0 -2503 834 343 1911 -556 1925 -2845 -691 -3551 373 -2283 -1042 538 988 1129 1934 1006 1053 -205 -2341 -312 -2670 -2263 -2433 1059 509 1109 992 624 1916 -908 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