File name: Pandora55s1_QueensNY_20210627_L2Fit_fout2c11d20210101p1-8.txt File generation date: 20260625T191143.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c11p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora55_OF_v4d20190723.txt Instrument calibration file used: Pandora55s1_CF_v11d20210101.txt Level 1 file used: Pandora55s1_QueensNY_20210627_L1_smca1c11d20210101p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20210627 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: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0145 305.1546 305.2946 305.4346 305.5746 305.7145 305.8545 305.9945 306.1344 306.2744 306.4143 306.5542 306.6941 306.8340 306.9739 307.1138 307.2536 307.3935 307.5333 307.6732 307.8130 307.9528 308.0926 308.2324 308.3722 308.5120 308.6517 308.7915 308.9312 309.0710 309.2107 309.3504 309.4901 309.6298 309.7695 309.9091 310.0488 310.1884 310.3281 310.4677 310.6073 310.7469 310.8865 311.0261 311.1657 311.3053 311.4448 311.5844 311.7239 311.8634 312.0029 312.1424 312.2819 312.4214 312.5609 312.7003 312.8398 312.9792 313.1187 313.2581 313.3975 313.5369 313.6763 313.8156 313.9550 314.0944 314.2337 314.3730 314.5124 314.6517 314.7910 314.9303 315.0695 315.2088 315.3481 315.4873 315.6265 315.7658 315.9050 316.0442 316.1834 316.3226 316.4617 316.6009 316.7401 316.8792 317.0183 317.1574 317.2966 317.4357 317.5747 317.7138 317.8529 317.9919 318.1310 318.2700 318.4090 318.5481 318.6871 318.8260 318.9650 319.1040 319.2429 319.3819 319.5208 319.6598 319.7987 319.9376 320.0765 320.2153 320.3542 320.4931 320.6319 320.7708 320.9096 321.0484 321.1872 321.3260 321.4648 321.6036 321.7423 321.8811 322.0198 322.1586 322.2973 322.4360 322.5747 322.7134 322.8520 322.9907 323.1294 323.2680 323.4066 323.5453 323.6839 323.8225 323.9611 324.0996 324.2382 324.3768 324.5153 324.6538 324.7924 324.9309 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20210627T131903.6Z 7848.554903 301 1 50.22 2 48.80 93.46 100.43 250.14 0.00 1 0.00 1 0 17 4.539e-02 1.748e-02 7.707e-03 3.583e-03 1.963772e-01 1.898366e-03 2.287712e-03 -6.000000e+00 2.742530e-02 232.90 -2.00 3.51 -2.00 316.34 0.00e+00 -2.988780e-04 2.182172e-04 4.076543e-05 -6.000000e+00 1.217216e-03 287.86 -2.00 20.00 -2.00 315.54 0.00e+00 1.515 0.000 302.00 328.00 3 6.2068e+00 4.9857e-03 1.8294e-02 -6.0000e+00 6.8812e-02 4.0593e-02 5.5547e-03 1.0163e-02 -6.0000e+00 7.4219e-02 2.1607e-02 3.1935e-03 4.8918e-03 -6.0000e+00 4.4209e-02 -1.1438e-02 1.4516e-03 1.3381e-03 -6.0000e+00 1.8463e-02 1.8653e-04 5.6267e-05 1.1107e-04 1.7052e-05 -6.0000e+00 1.3566e-03 6.5686e-03 1.6157e-04 12 8 8 10 0 0 99.99 22.81 0.42 0.00657 0.00699 26 5 1 5 0 1931.040 25.68 19.99 22.81 31.86 29.7 1100.00 -4425 3372 21912 -14651 2380 6885 -4697 14498 4117 -2891 -7091 -18 -3461 -21367 13126 -2164 -7818 11107 9685 2307 3343 1892 3231 -3948 -323 -784 11793 -4003 -1649 -2374 1662 2849 -1831 -9929 862 12817 -4115 -3107 5218 3016 -3019 1857 -4369 -2513 -1481 3558 -3384 3124 158 1410 -2358 -3734 -2351 2589 4177 -512 3656 1267 3506 1326 1257 3046 1792 -1239 978 -3142 1416 -2196 2397 -1515 -1159 -834 1447 -698 2426 -386 317 1236 -139 -310 -1710 1295 -1320 -471 -1930 -807 -1167 -370 -1666 474 -291 -95 -397 618 821 665 -822 -224 689 -860 -125 -275 -274 1612 47 -1066 310 -382 261 2043 1371 -1375 554 446 -1345 -675 -198 1209 -344 253 -1462 -642 1237 1763 -299 192 -661 -247 -159 -1179 6 999 1096 472 1401 -75 958 543 -66 -243 -1364 -746 -236 -420 -830 642 3617 -3264 419 1090 -835 2360 812 -644 -1662 -4 -829 -6628 3316 -681 -2697 3335 3026 790 1161 671 1140 -1525 -127 -320 4349 -1639 -627 -865 583 1038 -736 -4412 345 4451 -1694 -1405 2537 1707 -1977 1238 -3144 -1808 -1055 2430 -2416 2063 104 908 -1586 -2645 -1728 1900 3125 -405 2856 1011 2739 1047 1000 2463 1545 -1149 912 -2958 1208 -1826 1910 -1328 -1096 -831 1454 -709 2333 -358 271 973 -108 -250 -1516 1215 -1345 -498 -2151 -937 -1429 -467 -2163 603 -363 -112 -434 631 824 694 -925 -270 876 -1141 -162 -342 -324 1843 56 -1341 403 -516 361 2881 2017 -2119 842 660 -1909 -902 -253 1520 -450 346 -2117 -944 1786 2493 -417 258 -861 -311 -199 -1533 8 1380 1535 673 2038 -113 1494 871 -107 -400 -2236 -1196 -369 -649 SS 20210627T133242.5Z 7848.564381 307 1 51.03 2 46.22 95.88 102.76 252.15 0.00 1 0.00 1 0 17 2.111e-02 1.054e-02 3.826e-03 2.180e-03 1.861277e-01 1.161930e-03 2.182389e-03 -6.000000e+00 1.275865e-02 232.90 -2.00 3.51 -2.00 315.68 0.00e+00 -2.351410e-04 1.154716e-04 3.687346e-05 -6.000000e+00 5.661851e-04 287.86 -2.00 20.00 -2.00 314.93 0.00e+00 1.443 0.000 302.00 328.00 3 5.6329e+00 3.0295e-03 1.7395e-02 -6.0000e+00 3.2013e-02 3.5604e-02 3.3616e-03 9.6279e-03 -6.0000e+00 3.4526e-02 9.1452e-03 1.9175e-03 4.6365e-03 -6.0000e+00 2.0566e-02 -5.7583e-03 8.4809e-04 1.2630e-03 -6.0000e+00 8.5908e-03 3.6535e-04 1.5484e-04 6.7080e-05 1.6962e-05 -6.0000e+00 6.3098e-04 5.1772e-03 1.5255e-04 12 9 8 11 32 0 99.99 22.81 0.53 0.00518 0.00634 20 4 1 5 0 2550.790 25.68 20.01 22.81 32.63 29.6 1100.00 -2275 347 6603 -7511 630 2499 -3433 9171 1587 -2164 -1754 404 -553 -9725 5873 -2181 -2912 -1076 4335 1878 2982 1719 2388 -2000 867 -701 3987 -1622 -1583 -211 517 2777 -891 -4559 -1479 5728 -2060 -1373 3486 240 -2007 0 -2446 -1739 -1220 1484 -2610 -915 -111 1093 -781 -1419 -146 1818 2426 362 2283 1103 2040 1468 1238 2113 1316 -589 229 -1583 1070 -590 2255 -232 -530 -614 426 -716 1271 -691 -65 824 364 -349 -1039 344 -1811 -827 -1600 -1113 -1333 183 -673 -97 -378 -167 234 878 634 1181 -121 320 -315 -540 -335 -194 71 1298 234 -120 -66 -474 -44 814 494 -953 79 -198 -840 -244 430 880 536 235 -1173 -434 420 1003 109 272 -182 739 215 -565 527 370 921 332 416 -195 744 157 -108 -566 -632 -280 -335 -472 -551 89 1642 -2041 147 539 -787 2035 413 -613 -500 113 -163 -3392 1970 -842 -1175 -437 1726 783 1254 735 1021 -907 400 -338 1861 -769 -714 -90 218 1193 -416 -2245 -703 2486 -969 -703 1955 155 -1436 0 -1888 -1351 -944 1126 -2008 -682 -81 775 -565 -1067 -113 1439 1968 303 1914 935 1711 1228 1042 1822 1194 -566 223 -1529 958 -509 1894 -210 -514 -626 441 -743 1268 -665 -58 687 296 -295 -949 333 -1880 -888 -1789 -1294 -1622 229 -856 -123 -467 -197 257 912 647 1239 -136 381 -397 -700 -430 -239 83 1484 276 -148 -84 -626 -59 1126 707 -1408 115 -284 -1156 -318 536 1093 684 314 -1638 -617 592 1386 148 357 -232 911 265 -719 692 500 1256 458 589 -286 1116 241 -168 -890 -985 -428 -503 -701 SS 20210627T135807.6Z 7848.582033 323 1 0.84 2 41.46 100.76 107.15 255.88 0.00 1 0.00 1 0 25 9.525e-03 7.783e-03 5.066e-03 3.672e-03 1.701680e-01 1.978528e-03 2.066052e-03 -6.000000e+00 5.753695e-03 232.90 -2.00 3.51 -2.00 314.65 0.00e+00 1.400772e-04 1.605344e-04 5.487072e-05 -6.000000e+00 2.554312e-04 287.86 -2.00 20.00 -2.00 314.01 0.00e+00 1.333 0.000 302.00 328.00 3 2.3574e+00 5.1055e-03 1.6074e-02 -6.0000e+00 1.4436e-02 1.1705e-02 5.6337e-03 8.9204e-03 -6.0000e+00 1.5572e-02 4.7216e-03 3.2184e-03 4.3180e-03 -6.0000e+00 9.2750e-03 -3.9562e-03 1.3763e-03 1.1979e-03 -6.0000e+00 3.8733e-03 1.1237e-02 -2.7206e-04 1.1194e-04 1.8056e-05 -6.0000e+00 2.8473e-04 3.2813e-03 -1.3257e-05 12 9 1 12 1 1 999.00 22.81 0.21 0.00328 0.00124 2 43 1 5 0 219.960 25.68 20.01 22.81 33.93 29.8 1100.00 -62 -2817 -563 -3044 266 -679 950 1866 897 -1571 -378 889 1877 948 634 274 -780 254 613 440 118 1398 2025 1023 1730 129 -360 -2087 8 -321 1694 63 1041 -2197 -968 371 -250 -300 802 -235 -1572 -753 -1536 -751 -926 -808 -1359 -1340 -349 214 1099 835 182 439 633 592 499 644 1166 880 1127 1300 1078 1080 -1015 -352 254 576 1707 1093 -568 -565 -275 -875 -574 -605 546 324 1910 697 190 -857 -1206 -1120 -1228 -1015 -1149 -264 -594 -160 201 216 380 1932 1281 1705 272 873 270 -637 -409 -880 48 566 349 -1054 -341 -1020 -248 -350 -314 -458 -629 -18 -438 673 1032 949 250 -174 -653 -133 -82 -328 603 -143 772 1290 1170 409 506 139 464 277 78 -200 -348 447 -660 68 -300 -409 -457 -172 -22 -1095 -219 -1171 94 -229 319 662 343 -634 -152 354 768 418 300 137 -404 133 324 238 65 764 1103 570 990 76 -213 -1223 5 -173 898 34 590 -1297 -560 208 -143 -183 537 -173 -1244 -615 -1283 -630 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