File name: Pandora177s1_WestportCT_20240913_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240914T053534.0Z 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_20240913_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: 20240913 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 20240913T121154.2Z 9022.508266 84 1 16.85 2 72.20 101.28 164.78 330.99 0.00 1 0.00 1 0 25 8.236e-02 1.136e-02 2.349e-02 1.679e-03 4.328753e-01 8.915613e-04 5.363415e-03 -6.000000e+00 4.934379e-02 229.34 -2.00 3.51 -2.00 319.57 0.00e+00 2.524975e-03 2.588469e-04 2.335801e-03 -6.000000e+00 2.207517e-03 287.89 -2.00 20.00 -2.00 318.81 0.00e+00 3.225 0.001 302.00 328.00 3 1.9783e+00 2.5496e-03 4.0304e-02 -6.0000e+00 1.2279e-01 -1.3306e-02 3.0231e-03 2.5254e-02 -6.0000e+00 1.3254e-01 -5.3071e-03 2.3462e-03 1.2675e-02 -6.0000e+00 7.9095e-02 -4.6120e-03 1.2220e-03 3.6029e-03 -6.0000e+00 3.3842e-02 1.7544e-03 6.8522e-04 5.1660e-05 5.0021e-05 -6.0000e+00 2.4258e-03 1.7105e-02 0.0000e+00 12 9 9 12 9 1 18.27 22.96 0.41 0.01711 0.02225 61 41 1 5 0 271.550 26.32 19.99 22.96 20.70 25.7 992.00 -44665 -7729 -21181 -17684 -25538 -35300 -9781 -34936 -19068 -30905 -14092 -27601 -5968 -4933 -1755 -284 -5364 2778 -11966 1 -5427 -463 -3236 -1127 -1007 -4256 -2353 -9692 -3462 -6309 2336 -1597 1202 -3538 -8064 -5978 -7163 -569 -2167 856 -1441 1218 -507 1623 1594 38 1204 -1037 722 197 2846 1270 2345 1328 857 2509 -260 377 -890 780 1193 3730 3762 2369 257 -1721 -953 -875 2790 1326 1623 1673 1144 758 -1175 -1348 -3849 -2982 -2420 -1801 -2512 -1880 -2752 -1329 170 529 1866 1256 2158 1180 421 -1343 -2109 -1083 -864 -2 446 1688 252 -680 -2076 -1995 -812 -570 -1563 -1768 -1016 -762 1310 1292 1341 659 137 -504 -880 -418 -18 690 929 630 717 1160 1512 553 595 -1322 -538 240 -87 -606 -1105 -1322 -449 33 138 248 783 1024 613 121 -669 -1256 -1029 -147 -465 -355 -519 -794 -188 -982 -499 -953 -386 -979 -206 -205 -83 -15 -322 165 -871 0 -393 -32 -243 -89 -85 -378 -202 -871 -291 -581 224 -181 144 -447 -1039 -777 -1072 -96 -445 194 -366 318 -139 443 441 11 339 -301 211 61 867 429 841 508 343 1016 -110 156 -368 322 520 1746 1936 1309 144 -936 -499 -478 1643 885 1156 1216 816 512 -739 -772 -2139 -1689 -1522 -1295 -1914 -1565 -2474 -1251 168 556 2022 1295 2317 1218 406 -1221 -1865 -988 -871 -3 527 2154 338 -892 -2539 -2250 -953 -653 -1934 -2317 -1389 -1106 1891 2019 2205 1097 221 -768 -1266 -622 -26 1032 1466 1029 1165 1821 2286 812 892 -1933 -772 362 -136 -1029 -1985 -2323 -817 63 278 493 1581 2080 1237 250 -1328 -2419 SS 20240913T121659.1Z 9022.511796 87 1 17.47 2 71.26 102.18 165.19 334.80 0.00 1 0.00 1 0 25 6.777e-02 1.172e-02 2.909e-02 2.193e-03 4.113966e-01 1.164159e-03 5.093434e-03 -6.000000e+00 4.060819e-02 229.34 -2.00 3.51 -2.00 319.44 0.00e+00 2.187812e-03 3.239605e-04 2.223599e-03 -6.000000e+00 1.816633e-03 287.89 -2.00 20.00 -2.00 318.68 0.00e+00 3.074 0.000 302.00 328.00 3 2.6662e+00 3.3064e-03 3.8351e-02 -6.0000e+00 1.0105e-01 -2.2217e-02 3.8913e-03 2.4030e-02 -6.0000e+00 1.0907e-01 8.8072e-03 2.9597e-03 1.1864e-02 -6.0000e+00 6.5090e-02 -1.0468e-02 1.5472e-03 3.2667e-03 -6.0000e+00 2.7853e-02 1.0488e-03 6.8938e-04 6.7892e-05 4.3705e-05 -6.0000e+00 1.9961e-03 1.6464e-02 0.0000e+00 12 9 9 12 1 1 59.74 22.96 0.26 0.01646 0.02164 34 23 1 5 0 498.790 26.32 20.00 22.96 21.11 25.8 995.11 15758 -14900 9592 -26075 -15145 -33009 -14501 -14452 -33852 -7714 -26852 -6554 -19138 -2374 -6728 -6637 -1255 -3738 8100 -4458 7091 -5552 5031 -2355 4755 -4416 -6066 -6276 -6925 225 -2059 3022 -1807 -3511 -10286 -4907 -4730 -2954 490 -709 574 -1816 1245 -1119 658 -727 -695 316 -993 2014 338 3287 85 1848 1484 1397 527 -869 412 -500 2522 3163 4376 2427 396 -1273 -1493 373 2009 2146 1423 2251 1004 1127 -1223 -1872 -3071 -3809 -1493 -2637 -1853 -2609 -2541 -1820 76 745 1364 2035 1894 1519 -108 -926 -2186 -768 -1136 -289 894 1350 474 -866 -1963 -2530 -735 -352 -1516 -1649 -1373 -418 824 1540 1147 695 -21 -351 -589 -523 486 352 1126 440 961 1173 1506 614 335 -1086 -945 505 -450 -288 -1383 -1128 -430 -56 184 174 931 824 746 -91 -413 -1542 253 -356 181 -664 -324 -847 -341 -386 -1200 -220 -971 -217 -863 -110 -380 -419 -81 -265 540 -351 507 -456 388 -210 421 -439 -603 -606 -667 21 -225 356 -242 -480 -1466 -682 -746 -552 106 -176 154 -484 360 -311 197 -222 -213 96 -313 650 111 1143 33 736 617 599 230 -381 176 -219 1134 1553 2327 1390 230 -711 -808 206 1220 1453 1038 1664 735 778 -791 -1106 -1731 -2215 -943 -1935 -1524 -2205 -2295 -1733 76 787 1497 2248 2056 1576 -105 -843 -1938 -698 -1144 -325 1040 1710 628 -1124 -2372 -3044 -854 -428 -1861 -2141 -1869 -598 1259 2363 1855 1134 -33 -521 -879 -760 716 548 1730 703 1524 1802 2377 940 493 -1547 -1328 738 -726 -471 -2405 -2025 -800 -104 358 352 1911 1708 1533 -183 -789 -2879 SS 20240913T122152.7Z 9022.515193 90 1 21.61 2 70.36 103.05 165.53 338.64 0.00 1 0.00 1 0 25 6.144e-02 1.055e-02 2.543e-02 2.145e-03 3.957070e-01 1.137293e-03 4.780453e-03 -6.000000e+00 3.680880e-02 229.34 -2.00 3.51 -2.00 319.40 0.00e+00 2.518127e-03 3.059036e-04 1.680527e-03 -6.000000e+00 1.646727e-03 287.89 -2.00 20.00 -2.00 318.61 0.00e+00 2.942 0.000 302.00 328.00 3 2.9197e+00 3.2314e-03 3.6391e-02 -6.0000e+00 9.1596e-02 -1.5392e-02 3.7877e-03 2.1851e-02 -6.0000e+00 9.8868e-02 7.9585e-03 2.8239e-03 1.1195e-02 -6.0000e+00 5.9002e-02 -1.1127e-02 1.4746e-03 3.4319e-03 -6.0000e+00 2.5245e-02 9.3820e-04 7.1259e-04 6.7131e-05 4.4610e-05 -6.0000e+00 1.8096e-03 1.7052e-02 0.0000e+00 12 9 9 12 1 1 91.54 22.96 0.39 0.01705 0.02241 35 19 1 5 0 600.020 26.32 19.99 22.96 21.54 25.8 997.72 -16255 -10670 -31529 -14999 -25034 4076 8417 -10570 -9097 -24276 -21098 -31304 -1548 -10762 4384 -1254 1006 3590 -3918 -1438 -1532 -1188 -1315 2245 70 -1067 -3861 -3776 -5193 -4704 1738 -2532 1821 -6243 -3496 -6194 -3202 -1458 -2570 -1326 -2601 455 -514 1915 3480 1347 281 -175 685 -2066 1388 949 1998 937 2167 2061 157 -279 -734 369 1177 3175 3531 2228 235 -562 -1364 -498 2190 1114 1342 1273 1508 727 -573 -1539 -2966 -2895 -2329 -2097 -2516 -2292 -2764 -952 403 871 1697 1423 1578 880 549 -1090 -1212 -318 -594 -177 910 1502 343 -667 -1904 -2024 -1078 1 -1577 -1897 -939 -812 996 1297 1128 287 424 -527 -737 -610 171 273 708 680 664 1014 1361 843 484 -1025 -823 262 -95 -528 -988 -1102 -231 -16 383 -7 743 876 331 114 -790 -1135 -408 -277 -1016 -386 -665 81 176 -303 -280 -904 -794 -1460 -64 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