File name: Pandora177s1_WestportCT_20230914_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T142518.8Z 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_20230914_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: 20230914 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 20230914T122144.7Z 8657.515101 97 1 48.00 2 70.43 103.12 64.43 101.86 0.00 1 0.00 1 0 17 1.094e-01 1.542e-02 1.434e-01 1.074e-02 3.660340e-01 5.738940e-03 4.589898e-03 -6.000000e+00 6.573681e-02 229.34 -2.00 3.51 -2.00 319.64 0.00e+00 1.680159e-04 1.646562e-03 1.974225e-03 -6.000000e+00 2.933162e-03 287.89 -2.00 20.00 -2.00 318.87 0.00e+00 2.952 0.000 302.00 328.00 3 5.3758e+00 1.6481e-02 3.6273e-02 -6.0000e+00 1.6359e-01 3.5251e-03 1.9495e-02 2.2932e-02 -6.0000e+00 1.7641e-01 -1.6521e-03 1.4685e-02 1.0070e-02 -6.0000e+00 1.0528e-01 -1.2801e-03 7.5992e-03 2.8707e-03 -6.0000e+00 4.5195e-02 8.2934e-05 2.0486e-04 3.4542e-04 3.3187e-05 -6.0000e+00 3.2198e-03 -3.1645e-03 0.0000e+00 12 8 8 10 0 0 99.87 23.11 0.47 -0.00316 -0.00163 13 3 1 5 0 3692.030 26.41 20.00 23.11 21.57 22.0 989.92 -23207 66901 -21519 12314 11002 9771 -47465 -21715 -17263 -14465 16737 -26617 -5922 52368 -7717 -2618 6256 -2249 32446 -6427 -8958 8989 2743 9898 -3300 1694 4724 -10730 -25521 286 4123 -5951 -7772 -8993 3229 -9919 -4372 -6545 3747 -2570 2858 8364 629 6253 -6954 -1598 1539 -4641 -57 3783 6585 6652 -1485 2076 2284 -5668 1185 -662 1922 -2270 914 5189 6670 1935 1880 -230 -3644 -773 517 1368 1052 4499 3201 -996 -405 -553 -749 -2392 1119 -3848 -4819 -3521 -4455 -575 2119 -168 139 1495 902 2368 -876 -1422 -626 -2336 -842 -1160 677 3252 1561 -1192 -951 -3385 -2539 1955 -1575 -2689 -2019 -38 455 1687 2583 386 398 184 123 -519 -474 -284 773 -508 702 30 2108 429 -64 -198 -1404 1037 744 -1247 -91 -677 -560 -191 217 -929 648 875 1 803 -990 -402 -643 876 -650 250 223 198 -1755 -753 -633 -540 471 -1255 -264 1543 -480 -171 401 -166 1784 -543 -792 671 226 816 -333 167 445 -1131 -3024 27 408 -729 -1048 -1242 383 -1357 -633 -1161 719 -602 694 2026 169 1609 -2053 -448 415 -1325 -16 1040 1893 2073 -538 764 872 -2416 510 -288 804 -994 406 2403 3321 1068 1032 -122 -1901 -400 292 856 712 3029 2153 -664 -247 -306 -386 -1250 615 -2532 -3615 -2867 -3920 -516 1978 -171 149 1604 960 2374 -843 -1264 -522 -2018 -780 -1206 773 3960 2021 -1550 -1142 -3841 -2786 2141 -1912 -3493 -2732 -53 679 2675 4265 657 653 283 177 -723 -670 -421 1207 -837 1150 48 3215 640 -92 -290 -2033 1519 1106 -2047 -154 -1198 -1026 -367 440 -1986 1399 1905 2 1689 -2028 -788 SS 20230914T124522.7Z 8657.531512 107 1 48.73 2 66.14 107.48 60.26 106.29 0.00 1 0.00 1 0 17 2.854e-02 1.097e-02 1.737e-02 2.514e-03 3.097072e-01 1.324111e-03 3.837439e-03 -6.000000e+00 1.714902e-02 229.34 -2.00 3.51 -2.00 318.81 0.00e+00 1.524120e-03 2.947108e-04 1.301268e-03 -6.000000e+00 7.649548e-04 287.89 -2.00 20.00 -2.00 318.01 0.00e+00 2.454 0.000 302.00 328.00 3 3.9007e+00 3.6405e-03 2.9717e-02 -6.0000e+00 4.2678e-02 1.7814e-02 4.1742e-03 1.7227e-02 -6.0000e+00 4.6018e-02 1.0185e-02 2.8523e-03 8.3027e-03 -6.0000e+00 2.7463e-02 -1.2882e-02 1.4854e-03 2.2565e-03 -6.0000e+00 1.1793e-02 6.2563e-04 -2.3756e-04 7.9014e-05 2.6457e-05 -6.0000e+00 8.3970e-04 -5.0904e-03 0.0000e+00 12 9 8 11 8 0 99.99 23.17 0.58 -0.00509 -0.00688 85 20 1 5 0 573.220 26.51 20.00 23.17 21.63 22.0 989.94 2217 268 4739 2413 -11840 -10861 -10770 -7955 -5235 -4863 -5248 -9326 -2742 907 -563 -4970 -7861 -752 1326 1478 1414 1322 501 2089 1088 -517 -2258 -4770 -2679 471 956 979 1927 -3583 -4711 -7388 -6849 -1505 -1219 -1278 -656 462 800 502 601 215 -218 -373 -1660 -401 1948 826 1977 1819 727 1130 73 -552 -759 792 1435 2535 3058 3146 816 -1302 -1425 -934 1871 2092 1486 1678 1458 1117 -709 -1564 -2697 -3708 -1962 -2002 -2194 -1976 -2798 -1421 -67 89 1084 1555 1654 1274 641 -739 -1571 -757 -903 -761 279 1477 475 -780 -1314 -2153 -1033 -506 -1353 -2015 -1175 -852 959 1391 1680 1024 656 -371 -436 -482 -404 279 792 661 660 672 1157 689 403 -559 -622 259 -1 -448 -653 -1254 -463 34 112 103 554 808 632 130 -546 -1468 93 13 214 105 -547 -484 -515 -418 -293 -281 -310 -613 -194 73 -53 -533 -922 -86 156 180 176 165 65 281 157 -78 -339 -703 -373 64 140 159 333 -659 -923 -1493 -1525 -378 -333 -399 -221 162 288 183 220 79 -87 -147 -660 -162 817 377 950 916 383 608 40 -303 -412 426 801 1516 1975 2133 560 -855 -883 -581 1237 1541 1187 1379 1187 871 -519 -1044 -1678 -2298 -1287 -1485 -1832 -1803 -2746 -1335 -67 94 1190 1732 1818 1345 690 -736 -1478 -710 -914 -855 345 1808 613 -997 -1707 -2608 -1207 -614 -1772 -2578 -1561 -1183 1393 2150 2704 1664 1027 -546 -651 -692 -586 423 1168 1022 1032 1030 1861 1071 600 -798 -863 367 -2 -738 -1129 -2051 -776 60 206 200 1094 1612 1258 254 -1030 -2692 SS 20230914T125001.4Z 8657.534739 110 1 22.65 2 65.31 108.37 59.45 107.19 0.00 1 0.00 1 0 25 2.577e-02 1.119e-02 1.055e-02 2.089e-03 3.004063e-01 1.102189e-03 3.690298e-03 -6.000000e+00 1.548720e-02 229.34 -2.00 3.51 -2.00 318.29 0.00e+00 1.530100e-03 2.089392e-04 9.284681e-04 -6.000000e+00 6.907569e-04 287.89 -2.00 20.00 -2.00 317.47 0.00e+00 2.378 0.000 302.00 328.00 3 3.5174e+00 2.9761e-03 2.8578e-02 -6.0000e+00 3.8542e-02 2.7732e-02 3.3738e-03 1.5979e-02 -6.0000e+00 4.1557e-02 3.0387e-03 2.1646e-03 7.8445e-03 -6.0000e+00 2.4802e-02 -9.6014e-03 1.1121e-03 2.2198e-03 -6.0000e+00 1.0651e-02 9.9951e-04 -1.8474e-04 6.5247e-05 2.5164e-05 -6.0000e+00 7.5824e-04 -5.7313e-03 0.0000e+00 12 9 9 12 9 1 99.99 23.18 0.37 -0.00573 -0.00712 35 18 1 5 0 628.900 26.51 20.00 23.18 21.73 22.0 990.69 -4572 -7758 -2054 -2672 -6625 -739 -5481 -66 -7861 -11892 -10937 -9651 -4682 -4416 160 -1711 1757 -71 249 1578 1621 65 1486 255 659 1930 -1523 -1141 -2446 239 656 -678 420 -4053 -4865 -5137 -3275 -229 -179 -1070 -138 -1237 749 312 2169 1052 443 328 -1637 604 1620 865 715 1236 1168 1042 850 -539 -126 213 1207 2161 3507 2766 348 -645 -1141 -476 1814 1619 743 1419 1148 1293 -280 -1690 -2690 -3222 -2274 -1938 -2644 -2716 -2659 -1700 -187 382 1333 1242 1557 1451 545 -872 -1429 -593 -834 -437 684 1278 531 -673 -1889 -2279 -1150 -518 -1454 -1519 -869 -868 785 1338 1577 796 734 -227 -208 -588 46 28 962 404 545 975 1127 945 896 -846 -1116 137 9 -294 -729 -1327 -507 239 299 50 655 898 473 -17 -457 -1349 -289 -550 -138 -170 -403 -41 -344 -4 -623 -1015 -938 -871 -460 -506 20 -240 252 -11 40 257 269 11 253 47 127 376 -301 -214 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