File name: Pandora64s1_NewHavenCT_20250513_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250514T184555.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250513_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20250513 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: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20250513T110415.7Z 9264.461293 226 1 48.26 2 74.93 78.41 104.58 248.71 0.00 1 0.00 1 0 25 2.062e-01 1.186e-02 4.740e-02 2.601e-03 5.214192e-01 1.424413e-03 6.141607e-03 -6.000000e+00 1.260079e-01 230.92 -2.00 3.52 -2.00 320.06 0.00e+00 4.427725e-03 4.749537e-04 1.488465e-03 -6.000000e+00 5.507483e-03 283.17 -2.00 20.00 -2.00 319.42 0.00e+00 3.771 0.001 302.00 328.00 3 3.4801e+00 4.1959e-03 4.7074e-02 -6.0000e+00 3.1529e-01 2.1659e-02 5.0644e-03 2.8062e-02 -6.0000e+00 3.4021e-01 -7.2466e-02 4.2314e-03 1.5284e-02 -6.0000e+00 2.0218e-01 2.3895e-02 2.1546e-03 5.9179e-03 -6.0000e+00 8.5317e-02 2.0640e-04 -7.5745e-04 7.9955e-05 7.4922e-05 -6.0000e+00 6.1370e-03 1.9960e-03 -8.6130e-05 12 8 8 10 0 0 93.38 21.35 0.11 0.00200 -0.00370 49 12 1 5 0 984.630 25.79 20.01 21.35 22.43 40.2 1023.67 -73345 -43987 -32426 -38025 -173264 -52901 -53878 -52583 -3729 -51642 -56991 -20055 -11513 -30730 3675 -10570 -16206 5085 -3475 4681 2201 2652 15145 -731 358 -5314 -3491 -7665 -2692 -24199 -1694 191 3134 -216 -1326 -5951 1914 -1512 4220 918 3756 -1671 3210 -1071 2242 2973 4714 2359 1195 -1709 4248 316 5414 1422 1688 111 1568 959 1220 1244 1542 2838 3265 2637 3023 330 64 808 1382 1864 917 1375 18 46 -435 -1548 -180 -2597 -1425 -1165 -1735 -852 -2185 -2577 -696 -644 -8 572 1152 559 417 595 -2491 -1007 -85 -14 -410 1308 421 -415 -770 -2106 -2652 231 -175 -1616 -686 96 -166 529 1127 276 183 23 -466 -399 420 -91 922 591 108 78 985 344 1064 749 -1299 536 959 267 334 -396 -655 -453 448 -218 -181 402 610 -419 115 -1305 -1421 -700 -479 -552 -8423 -866 -969 -1043 -55 -1179 -1445 -416 -273 -1091 112 -424 -751 209 -164 215 105 127 677 -41 21 -310 -217 -484 -165 -1872 -122 15 273 -20 -117 -585 198 -192 608 157 677 -337 645 -228 473 635 1004 530 260 -410 1064 90 1573 460 563 39 549 334 418 434 571 1150 1458 1281 1453 157 31 400 711 1069 564 859 11 27 -231 -819 -91 -1393 -799 -754 -1280 -648 -1796 -2259 -645 -629 -8 583 1152 532 371 499 -2099 -885 -83 -15 -482 1677 530 -540 -938 -2383 -2918 262 -212 -2077 -878 131 -246 802 1813 452 292 34 -714 -598 642 -138 1471 968 175 123 1581 531 1577 1074 -1876 819 1524 464 590 -733 -1276 -886 926 -468 -396 887 1321 -876 228 -2667 SS 20250513T111533.9Z 9264.469143 229 1 47.84 2 72.84 80.15 106.51 250.31 0.00 1 0.00 1 0 17 2.026e-01 1.257e-02 1.086e-01 4.436e-03 4.652819e-01 2.418177e-03 5.541042e-03 -6.000000e+00 1.238299e-01 230.92 -2.00 3.52 -2.00 319.73 0.00e+00 1.701187e-03 7.274574e-04 1.557192e-03 -6.000000e+00 5.410800e-03 283.17 -2.00 20.00 -2.00 319.06 0.00e+00 3.339 0.001 302.00 328.00 3 4.8842e+00 6.9576e-03 4.2008e-02 -6.0000e+00 3.0985e-01 1.0387e-02 8.2470e-03 2.5728e-02 -6.0000e+00 3.3429e-01 -2.7657e-03 6.6827e-03 1.2950e-02 -6.0000e+00 1.9866e-01 -8.2830e-03 3.4552e-03 3.7711e-03 -6.0000e+00 8.3862e-02 8.0768e-05 -4.5256e-05 1.3887e-04 5.0961e-05 -6.0000e+00 6.0301e-03 1.8433e-03 -8.8426e-06 12 8 8 10 0 0 99.59 21.35 -0.08 0.00184 0.00150 15 4 1 5 0 3189.090 25.79 20.00 21.35 22.23 40.3 1023.33 -38312 46064 20006 62388 -63043 -50129 -12256 22050 93265 78589 -46747 124875 -16551 -20504 8384 7011 -18961 26366 -8726 34677 -1448 49021 22218 9884 -1011 4502 -5368 6086 3476 -28093 4287 -6883 2049 5154 -7674 2847 -2053 -1532 2375 -626 -632 -424 -1182 -8372 -393 -1949 -395 -2223 3602 -10439 4847 -5870 6903 919 -1055 -424 2522 -1776 4616 -328 1287 2718 2677 5124 4991 -3737 -44 694 3399 1109 1716 586 291 -450 216 -2802 4019 -2930 175 208 -1085 -1687 -1301 -2243 -526 -40 858 7 1332 893 -409 1080 -2483 -745 1016 1012 266 1070 174 -651 -938 -1473 -3014 1039 -992 -1769 -1416 -1632 -185 1053 1723 355 87 463 -854 -383 555 -143 -49 766 -35 767 1001 1057 697 455 -1677 1465 815 -92 -112 -1044 -1095 -169 175 54 40 937 422 -228 -357 -851 -790 473 276 558 -1560 -1199 -221 340 834 807 -1561 1044 -577 -897 326 312 -1118 1134 -532 1525 -93 1920 1217 658 -75 329 -429 440 259 -2955 373 -744 226 553 -900 321 -277 -246 418 -130 -142 -100 -294 -2256 -100 -507 -102 -595 933 -3312 1454 -2124 2362 340 -411 -170 995 -723 1739 -132 540 1237 1337 2673 2565 -2001 -23 367 1965 700 1143 403 195 -287 131 -1597 2054 -1648 108 140 -834 -1386 -1130 -2090 -519 -42 879 8 1354 898 -388 949 -2184 -676 1008 1082 321 1357 228 -830 -1167 -1696 -3426 1205 -1253 -2252 -1912 -2342 -272 1660 2747 576 143 712 -1255 -568 807 -219 -79 1267 -58 1217 1544 1551 1031 649 -2402 2176 1286 -153 -197 -1924 -2033 -328 348 110 83 1977 881 -458 -715 -1652 SS 20250513T112144.5Z 9264.473432 233 1 47.37 2 71.70 81.11 107.57 251.18 0.00 1 0.00 1 0 25 1.001e-01 1.060e-02 4.470e-02 3.721e-03 4.418340e-01 2.020021e-03 5.194005e-03 -6.000000e+00 6.116874e-02 230.92 -2.00 3.52 -2.00 319.50 0.00e+00 1.841189e-03 5.549145e-04 7.606240e-04 -6.000000e+00 2.673546e-03 283.17 -2.00 20.00 -2.00 318.81 0.00e+00 3.143 0.001 302.00 328.00 3 4.7782e+00 5.7140e-03 3.9353e-02 -6.0000e+00 1.5306e-01 2.5082e-02 6.6762e-03 2.3493e-02 -6.0000e+00 1.6515e-01 -3.9109e-02 5.0745e-03 1.1817e-02 -6.0000e+00 9.8144e-02 9.2952e-03 2.6262e-03 3.6249e-03 -6.0000e+00 4.1415e-02 1.1191e-04 -7.2539e-04 1.1675e-04 4.4497e-05 -6.0000e+00 2.9792e-03 2.3028e-03 -7.7288e-05 12 8 8 10 0 0 99.45 21.37 0.01 0.00230 -0.00315 22 5 1 5 0 2152.710 25.79 20.00 21.37 22.37 40.5 1024.26 -34290 -29223 -25007 -32257 33145 -22998 -44961 -35658 1018 -25610 -29301 -16556 -17754 -31768 4182 -5330 -809 2866 -9468 2651 12015 10449 15739 6141 1292 1732 -7785 -7535 -1774 -24750 -704 -4105 4169 295 -5202 -3538 508 -3948 1012 1743 1026 -911 2914 -4692 -989 1093 1448 1536 1319 -6324 2796 6108 6399 425 1543 154 1705 -539 1396 1297 80 1622 3522 786 2265 -1605 -1326 746 1015 1356 917 1197 528 379 -34 -2106 1102 -2150 -884 -502 -1732 -2043 -1527 -1862 -743 -897 411 359 1332 1229 361 849 -2219 -1047 373 963 -706 761 396 -478 -823 -1780 -3040 -138 12 -1135 -541 1003 -411 478 1610 569 -27 113 -47 -569 441 -538 597 422 -183 -325 1094 281 1043 -9 -1282 602 1145 348 162 -617 -772 -363 753 -112 -152 602 485 -399 -107 -1108 -940 -825 -696 -891 504 -594 -1495 -1215 28 -914 -1122 -641 -837 -1953 223 -332 -52 190 -747 194 855 762 1158 503 117 161 -788 -728 -161 -3048 -77 -515 535 39 -701 -499 78 -716 209 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