File name: Pandora177s1_WestportCT_20230821_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T135257.1Z 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_20230821_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: 20230821 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 20230821T115615.3Z 8633.497399 93 1 48.39 2 70.89 90.46 124.39 70.93 0.00 1 0.00 1 0 25 5.869e-02 1.177e-02 2.923e-02 2.379e-03 3.717110e-01 1.270641e-03 4.775741e-03 -6.000000e+00 3.554494e-02 231.36 -2.00 3.51 -2.00 319.58 0.00e+00 1.694525e-03 3.607919e-04 2.363029e-03 -6.000000e+00 1.585477e-03 289.73 -2.00 20.00 -2.00 318.78 0.00e+00 3.017 0.000 302.00 328.00 3 3.2333e+00 3.6325e-03 3.7228e-02 -6.0000e+00 8.8841e-02 -1.7110e-02 4.2887e-03 2.3669e-02 -6.0000e+00 9.5610e-02 4.1518e-03 3.2365e-03 1.0648e-02 -6.0000e+00 5.7029e-02 -9.4465e-03 1.6905e-03 2.6650e-03 -6.0000e+00 2.4440e-02 6.6233e-04 -2.9444e-04 7.5571e-05 3.3745e-05 -6.0000e+00 1.7278e-03 -7.2637e-03 0.0000e+00 12 8 8 10 0 0 99.99 23.51 0.53 -0.00726 -0.00948 94 22 1 5 0 514.690 26.83 20.01 23.51 26.10 21.8 1022.07 -22655 78 -6106 -10242 -31136 -19729 -22914 -20717 -7195 -17808 -16640 -17772 -10319 -1862 -5367 1088 -2498 1351 -1463 1055 -1666 1836 1347 1105 -116 -3505 -4753 -4456 -1122 -4339 273 2714 1220 -7238 -9031 -8208 -6877 -2777 -3685 884 417 307 454 -110 1533 356 457 -459 5 -1778 1388 690 1457 959 1486 1244 -158 263 -850 1423 1506 3822 3165 2398 783 -816 -974 -653 2569 1868 1828 2218 1229 1116 -553 -2545 -3608 -2869 -1995 -2156 -2492 -2151 -2558 -1765 -69 429 1604 1880 2256 1361 785 -855 -2333 -1307 -1212 -488 334 1482 597 -479 -1829 -2499 -1291 -729 -1436 -2303 -1474 -738 1367 1516 1593 973 328 -374 -776 -384 -155 642 859 433 924 953 1288 702 718 -756 -900 121 -46 -451 -964 -1296 -737 -74 -205 305 526 1089 792 200 -316 -1689 -564 2 -145 -242 -840 -466 -604 -607 -203 -586 -558 -656 -413 -82 -286 61 -156 95 -112 82 -136 146 111 98 -11 -358 -485 -437 -104 -426 28 308 153 -1004 -1238 -1125 -1034 -479 -769 203 105 82 125 -31 429 101 130 -131 1 -539 438 238 536 374 599 518 -68 112 -360 593 656 1773 1618 1311 435 -437 -496 -338 1414 1161 1229 1534 848 735 -342 -1453 -1931 -1518 -1138 -1404 -1844 -1748 -2239 -1627 -67 442 1717 2049 2422 1413 763 -776 -2030 -1142 -1150 -515 392 1887 806 -640 -2302 -2918 -1446 -845 -1796 -3078 -2051 -1075 1902 2269 2511 1559 513 -550 -1179 -560 -227 986 1402 675 1445 1603 2087 1102 1079 -1100 -1278 175 -72 -775 -1756 -2226 -1305 -137 -404 625 1102 2299 1672 414 -627 -3273 SS 20230821T120118.7Z 8633.500911 96 1 47.81 2 69.94 91.30 123.54 71.94 0.00 1 0.00 1 0 25 4.506e-02 1.141e-02 1.381e-02 1.433e-03 3.518721e-01 7.738763e-04 4.478909e-03 -6.000000e+00 2.729090e-02 231.36 -2.00 3.51 -2.00 319.36 0.00e+00 1.977404e-03 1.996601e-04 2.007620e-03 -6.000000e+00 1.217152e-03 289.73 -2.00 20.00 -2.00 318.52 0.00e+00 2.883 0.000 302.00 328.00 3 2.6711e+00 2.1947e-03 3.5203e-02 -6.0000e+00 6.8211e-02 -2.8418e-02 2.5534e-03 2.1423e-02 -6.0000e+00 7.3406e-02 9.0223e-03 1.8267e-03 1.0023e-02 -6.0000e+00 4.3785e-02 -1.1069e-02 9.4710e-04 2.5698e-03 -6.0000e+00 1.8767e-02 1.3644e-03 -2.7137e-04 4.6027e-05 3.5383e-05 -6.0000e+00 1.3264e-03 -8.0388e-03 0.0000e+00 12 8 8 10 0 0 99.96 23.53 0.32 -0.00804 -0.01008 133 31 1 5 0 359.450 26.83 20.00 23.53 26.23 21.9 1023.31 -5682 -9101 -10537 -13196 -19231 -13855 -13641 -11830 -5292 -17064 -18193 -16539 -5591 -4663 -3697 -4350 -2873 1002 -1872 2829 844 -769 -870 53 -2032 -1813 -4338 -5162 -2703 -3521 73 759 936 -5149 -6138 -7581 -5099 -2790 -142 -494 70 521 332 1161 259 1808 -82 -345 -644 362 1407 838 1713 1177 965 1372 547 -510 -798 188 1646 3290 3293 3106 973 -795 -1509 -757 2196 1942 1616 1526 1186 1225 -154 -1342 -2951 -3522 -2575 -2113 -2235 -2014 -2852 -1671 109 518 1737 1522 1960 1388 573 -1008 -1852 -965 -982 -546 440 1475 410 -573 -1797 -2541 -1361 -749 -1729 -1888 -1122 -922 1040 1500 1512 867 497 -328 -572 -487 -190 305 860 648 800 825 1350 905 645 -656 -969 170 -99 -523 -857 -1506 -825 -118 337 157 683 968 668 61 -401 -1543 -162 -296 -355 -433 -621 -414 -438 -423 -195 -739 -818 -792 -280 -276 -252 -332 -232 83 -168 252 78 -73 -85 6 -229 -210 -508 -587 -292 -392 9 100 133 -790 -922 -1163 -846 -540 -32 -128 20 155 102 360 82 565 -26 -109 -205 119 488 317 688 500 426 621 253 -238 -368 87 781 1671 1827 1830 584 -459 -832 -420 1299 1290 1164 1137 877 864 -102 -813 -1681 -2002 -1572 -1461 -1748 -1731 -2647 -1627 101 512 1786 1602 2032 1389 592 -969 -1692 -884 -975 -604 489 1783 526 -728 -2146 -2819 -1596 -910 -2064 -2393 -1481 -1280 1515 2338 2478 1444 803 -500 -815 -667 -263 441 1319 1042 1298 1311 2065 1339 915 -899 -1296 232 -147 -842 -1458 -2657 -1499 -223 674 329 1464 2097 1447 130 -820 -3073 SS 20230821T122601.3Z 8633.518071 106 1 47.59 2 65.29 95.48 119.28 76.70 0.00 1 0.00 1 0 25 2.713e-02 1.155e-02 1.448e-02 2.105e-03 2.959842e-01 1.122082e-03 3.690564e-03 -6.000000e+00 1.643058e-02 231.36 -2.00 3.51 -2.00 318.91 0.00e+00 1.766687e-03 2.524933e-04 1.337744e-03 -6.000000e+00 7.327922e-04 289.73 -2.00 20.00 -2.00 318.06 0.00e+00 2.376 0.000 302.00 328.00 3 3.5240e+00 3.1089e-03 2.8802e-02 -6.0000e+00 4.1067e-02 -1.2673e-02 3.5665e-03 1.6734e-02 -6.0000e+00 4.4194e-02 1.1835e-02 2.4056e-03 8.0630e-03 -6.0000e+00 2.6361e-02 -1.2743e-02 1.2480e-03 2.1794e-03 -6.0000e+00 1.1299e-02 1.0174e-03 -1.0977e-04 6.7519e-05 2.6223e-05 -6.0000e+00 7.9856e-04 -8.0204e-03 0.0000e+00 12 9 8 11 8 0 99.99 23.48 0.46 -0.00802 -0.00885 202 46 1 5 0 235.580 26.83 20.01 23.48 27.80 22.0 1034.97 -2002 -6484 -992 -6993 -12668 -5468 -2088 -3639 -5876 -6965 -14068 -4759 -4311 -2920 -1685 -889 94 2007 511 3145 1970 637 133 -2179 -1249 634 -3139 -175 -1269 -1184 489 2368 -1282 -4662 -7874 -5198 -3715 -1955 535 -1089 -707 -259 671 -83 1167 387 -515 -334 -872 1119 858 1375 862 971 197 1369 807 38 -152 152 1043 2489 3493 2610 750 -1203 -980 -856 2019 2110 1057 1793 924 1255 -234 -1845 -2852 -3865 -1624 -2227 -2181 -2572 -2996 -1520 -526 303 1301 1730 1927 1857 466 -1027 -2151 -1178 -867 -421 797 1194 746 -375 -1565 -2541 -1530 -815 -1574 -1910 -1171 -768 614 1459 1311 886 183 -126 -584 -648 -113 71 1052 556 865 590 1295 873 1072 -635 -737 357 -261 -453 -1180 -1474 -840 -43 390 247 853 835 761 -32 -461 -1599 -88 -325 -48 -335 -591 -231 -91 -182 -329 -408 -898 -295 -304 -238 -156 -89 10 218 59 367 237 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