File name: Pandora177s1_WestportCT_20231111_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T152220.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231111_L1_smca1c5d20230401p1-8.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: 20231111 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]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20231111T133209.9Z 8715.564003 145 1 49.16 2 72.58 133.70 57.57 150.05 0.00 1 0.00 1 0 25 1.011e-01 1.276e-02 8.762e-02 5.113e-03 3.792509e-01 2.688992e-03 4.990398e-03 -6.000000e+00 5.933627e-02 223.55 -2.00 3.51 -2.00 319.92 0.00e+00 2.520785e-03 8.440345e-04 2.790545e-03 -6.000000e+00 2.631097e-03 280.85 -2.00 20.00 -2.00 319.29 0.00e+00 3.292 0.001 302.00 328.00 3 4.1623e+00 7.7837e-03 3.9600e-02 -6.0000e+00 1.4605e-01 -3.2084e-02 9.3239e-03 2.4331e-02 -6.0000e+00 1.5840e-01 2.7263e-02 7.6707e-03 1.2554e-02 -6.0000e+00 9.4551e-02 -1.8958e-02 3.9692e-03 3.6654e-03 -6.0000e+00 4.0750e-02 2.0295e-04 1.0813e-04 1.6573e-04 5.9818e-05 -6.0000e+00 2.9700e-03 5.4076e-03 0.0000e+00 12 9 9 12 1 1 99.98 23.07 0.59 0.00541 0.00622 31 7 1 5 0 1535.930 26.41 19.98 23.07 10.17 22.0 920.08 25415 -34156 41800 -3270 -21854 13887 -47991 -6274 -47889 13258 -44123 6157 6091 5679 3268 1522 4888 -19046 16256 -10287 24853 -921 12164 -9798 -689 10568 -4787 -412 -13293 -7611 -7010 1566 -9501 -4152 -1296 -9754 -3692 -7121 2565 -3543 3411 -1483 3174 -890 -201 -586 -1957 2669 -2893 2063 1584 4681 960 -1074 978 939 1491 -935 1190 -2497 4928 4655 2873 4259 -133 1340 -2440 1727 1159 3005 1840 1287 548 827 287 -4380 -1637 -4356 -484 -3802 -2366 -2000 -3271 438 -672 531 550 2267 199 1850 -159 -1791 -2978 -1567 -514 -1446 2045 1653 216 -300 -1167 -1915 -1615 -141 -2523 -1271 -1807 380 1167 2087 1033 878 729 -681 47 -1171 -106 -131 1065 65 483 1041 936 1225 -187 -461 -1094 574 -145 -91 -1240 -1682 -694 -419 25 -313 1254 930 1006 214 -674 -1067 325 -821 508 -59 -443 195 -1361 -133 -1686 264 -1622 152 178 202 140 74 248 -1312 831 -715 1239 -60 720 -772 -53 744 -388 -31 -1118 -631 -644 149 -1098 -461 -136 -1131 -452 -1083 423 -710 697 -336 710 -211 -48 -141 -479 625 -727 516 429 1338 305 -367 340 358 573 -365 449 -988 1910 1982 1366 2115 -69 646 -1170 817 611 1739 1158 836 352 503 162 -2340 -796 -2198 -259 -2402 -1666 -1543 -2736 374 -621 517 562 2316 205 1786 -145 -1534 -2458 -1310 -465 -1487 2276 2023 279 -381 -1379 -2103 -1728 -155 -3049 -1605 -2411 525 1722 3290 1731 1485 1190 -1055 68 -1652 -151 -197 1677 108 798 1667 1451 1825 -270 -639 -1496 806 -224 -152 -2206 -3105 -1319 -838 52 -690 2790 1967 2255 468 -1423 -2181 SS 20231111T133631.3Z 8715.567029 148 1 3.86 2 71.99 134.60 57.19 151.21 0.00 1 0.00 1 0 17 7.498e-02 1.432e-02 8.263e-02 8.813e-03 3.701623e-01 4.555880e-03 4.615228e-03 -6.000000e+00 4.401738e-02 223.55 -2.00 3.51 -2.00 319.02 0.00e+00 1.350549e-03 1.089371e-03 1.656482e-03 -6.000000e+00 1.951796e-03 280.85 -2.00 20.00 -2.00 318.37 0.00e+00 3.191 0.001 302.00 328.00 3 3.6644e+00 1.2495e-02 3.7294e-02 -6.0000e+00 1.0835e-01 -1.4799e-02 1.4424e-02 2.0354e-02 -6.0000e+00 1.1751e-01 -7.5498e-03 1.0490e-02 1.0154e-02 -6.0000e+00 7.0140e-02 9.3516e-04 5.5355e-03 2.9082e-03 -6.0000e+00 3.0230e-02 3.7318e-04 2.5206e-04 2.7386e-04 3.7879e-05 -6.0000e+00 2.2032e-03 5.3101e-03 0.0000e+00 12 9 9 12 1 1 999.00 23.06 0.26 0.00531 0.00720 2 9 1 5 0 1282.930 26.41 20.02 23.06 10.42 21.9 921.53 -36697 -4615 -608 -14231 41822 -11973 7106 -12513 -682 -24668 -9459 -34829 -22662 -922 9323 5326 7782 1640 -10050 -4271 -4990 -2689 -2857 -2342 7606 -8018 10266 -9036 412 -5196 -2497 1105 445 9347 -13062 -3966 -8934 -4207 -3147 -1033 -601 -2185 5123 2788 6332 -171 908 -579 -4045 3256 706 -97 963 7929 336 633 1275 -1059 -1790 -265 3997 4754 3972 4144 1422 -2437 -2852 2024 1632 1659 -258 2570 309 879 -673 -2571 -5306 -2375 -3251 -1782 -1607 -2935 -1997 361 -223 1174 951 760 1409 151 1032 -598 -3196 -746 -470 190 462 843 -1420 477 -1197 -1786 -1418 -700 -1088 -2020 -362 -1035 -97 2022 1714 1374 -204 5 -397 -655 -584 656 590 628 965 536 2357 1113 459 -917 -1102 1399 -582 -742 -881 -1271 -246 99 385 -647 1895 641 86 -604 680 -2004 -1521 -161 -21 -520 809 -392 210 -511 -27 -1298 -442 -2301 -1558 -61 646 426 652 155 -1123 -468 -560 -297 -328 -287 899 -1137 1191 -1223 50 -684 -354 170 74 1441 -2441 -688 -1828 -927 -819 -301 -190 -740 1660 937 2071 -60 314 -203 -1482 1157 277 -42 438 3539 168 325 621 -555 -931 -137 2081 2535 2335 2568 899 -1512 -1701 1181 1058 1202 -194 1929 233 660 -472 -1663 -3296 -1443 -2188 -1350 -1300 -2644 -1907 358 -225 1247 1062 864 1568 162 1076 -584 -3045 -711 -488 210 568 1076 -1931 620 -1461 -2126 -1646 -844 -1344 -2665 -493 -1501 -142 3143 2685 2173 -330 8 -590 -944 -856 957 915 1012 1556 847 3535 1627 677 -1309 -1546 1997 -879 -1216 -1453 -2171 -432 183 720 -1272 3720 1288 172 -1185 1257 -3829 SS 20231111T134042.2Z 8715.569933 151 1 48.80 2 71.43 135.48 56.84 152.34 0.00 1 0.00 1 0 25 4.080e-02 1.033e-02 5.012e-03 5.228e-04 3.611361e-01 2.697696e-04 4.398193e-03 -6.000000e+00 2.395341e-02 223.55 -2.00 3.51 -2.00 319.26 0.00e+00 2.356126e-03 6.862744e-05 1.440047e-03 -6.000000e+00 1.062103e-03 280.85 -2.00 20.00 -2.00 318.60 0.00e+00 3.101 0.000 302.00 328.00 3 7.3420e-01 7.4573e-04 3.6090e-02 -6.0000e+00 5.8960e-02 -8.7154e-03 8.6739e-04 1.9150e-02 -6.0000e+00 6.3945e-02 4.3879e-03 6.5228e-04 1.0201e-02 -6.0000e+00 3.8169e-02 -8.5271e-03 3.4406e-04 3.4298e-03 -6.0000e+00 1.6451e-02 7.6376e-03 5.3179e-05 1.6474e-05 4.0559e-05 -6.0000e+00 1.1989e-03 5.1493e-03 0.0000e+00 12 8 8 10 0 0 99.85 23.06 0.31 0.00515 0.00555 708 163 1 5 0 68.910 26.41 19.98 23.06 10.75 22.1 923.69 -7757 -5916 -9480 -13328 -12721 -15570 -11698 -11341 -12360 -15469 -15169 -12193 -8008 -3910 -2615 -983 -875 534 487 2019 -680 -1034 -273 -105 -1244 -2648 -3133 -4069 -3793 -2740 -382 97 -46 -4895 -7166 -5435 -4556 -1644 -903 -1151 -903 -25 306 557 1425 903 518 -180 -255 364 1347 1395 1653 1602 884 1711 105 -491 -634 210 1430 2923 3474 2710 438 -806 -935 -498 2067 1517 1139 1539 1023 982 -397 -1730 -2815 -3239 -2046 -2224 -2131 -2311 -2654 -1395 -227 532 1445 1348 1675 1190 352 -1003 -1881 -864 -725 -272 697 1345 428 -556 -1625 -2014 -753 -419 -1695 -1783 -967 -690 884 1413 1266 751 394 -279 -618 -383 52 271 919 356 676 877 1332 749 696 -865 -645 500 -121 -429 -989 -1271 -538 -45 174 56 684 800 561 -59 -395 -1251 -230 -189 -317 -437 -384 -476 -373 -408 -490 -658 -663 -568 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