File name: Pandora75s1_EssexMD_20241227_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250116T091736.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 75 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora75_OF_v3d20220127.txt Instrument calibration file used: Pandora75s1_CF_v3d20230525.txt Level 1 file used: Pandora75s1_EssexMD_20241227_L1_smca1c3d20230525p1-8.txt Full location name: MDE Essex Monitoring Site Short location name: EssexMD Country of location: United States Location latitude [deg]: 39.3109 Location longitude [deg]: -76.4745 Location altitude [m]: 12 Local noon date: 20241227 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: OoB session based on session 2 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0305 305.1717 305.3128 305.4540 305.5951 305.7363 305.8774 306.0185 306.1596 306.3007 306.4418 306.5828 306.7239 306.8649 307.0060 307.1470 307.2880 307.4290 307.5700 307.7110 307.8519 307.9929 308.1338 308.2747 308.4157 308.5566 308.6975 308.8384 308.9792 309.1201 309.2610 309.4018 309.5426 309.6834 309.8243 309.9651 310.1058 310.2466 310.3874 310.5281 310.6689 310.8096 310.9503 311.0910 311.2317 311.3724 311.5131 311.6537 311.7944 311.9350 312.0757 312.2163 312.3569 312.4975 312.6381 312.7786 312.9192 313.0598 313.2003 313.3408 313.4813 313.6218 313.7623 313.9028 314.0433 314.1838 314.3242 314.4646 314.6051 314.7455 314.8859 315.0263 315.1667 315.3070 315.4474 315.5877 315.7281 315.8684 316.0087 316.1490 316.2893 316.4296 316.5699 316.7101 316.8504 316.9906 317.1308 317.2710 317.4112 317.5514 317.6916 317.8318 317.9719 318.1121 318.2522 318.3923 318.5324 318.6725 318.8126 318.9527 319.0927 319.2328 319.3728 319.5129 319.6529 319.7929 319.9329 320.0729 320.2128 320.3528 320.4927 320.6327 320.7726 320.9125 321.0524 321.1923 321.3322 321.4721 321.6119 321.7518 321.8916 322.0314 322.1712 322.3110 322.4508 322.5906 322.7304 322.8701 323.0099 323.1496 323.2893 323.4290 323.5687 323.7084 323.8481 323.9877 324.1274 324.2670 324.4067 324.5463 324.6859 324.8255 324.9650 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20241227T144644.2Z 9127.615789 196 1 51.70 2 70.68 145.94 64.14 187.85 0.00 1 0.00 1 0 17 8.417e-02 1.162e-02 1.921e-02 2.886e-03 3.521697e-01 1.477043e-03 4.133768e-03 -6.000000e+00 4.950941e-02 223.43 -2.00 3.48 -2.00 318.58 0.00e+00 1.765787e-03 3.083647e-04 7.646014e-04 -6.000000e+00 2.188185e-03 277.73 -2.00 20.00 -2.00 317.93 0.00e+00 2.989 0.000 302.00 328.00 3 4.8941e+00 3.9887e-03 3.4462e-02 -6.0000e+00 1.2183e-01 2.7744e-02 4.5586e-03 1.7619e-02 -6.0000e+00 1.3276e-01 -1.2995e-02 3.0722e-03 8.9802e-03 -6.0000e+00 7.9190e-02 -2.7740e-04 1.5842e-03 2.8756e-03 -6.0000e+00 3.3032e-02 1.3365e-04 3.2229e-05 9.2327e-05 3.5712e-05 -6.0000e+00 2.6018e-03 1.0090e-02 2.4106e-05 12 9 8 11 8 0 41.90 22.99 0.60 0.01009 0.01033 14 2 1 5 0 3692.260 25.90 20.00 22.99 13.23 5.7 917.89 -62381 -10160 29263 3107 -30492 -14161 1850 -10439 -30684 3220 -6404 -16467 18402 32885 7022 -9903 -1654 -453 5000 -2533 2634 9067 -3342 713 -4648 2775 -1934 -5935 -4546 14502 -5269 -1091 -1002 -4095 2771 -1812 -366 -3983 2304 2534 -989 3321 2476 -1091 -1101 2417 1749 64 -621 2252 864 842 1736 2753 -340 3446 388 -1591 -279 -585 758 3360 2257 1918 1674 -1604 -334 -1751 2079 1385 -586 2422 -686 -887 -724 -956 -2046 -1294 -1871 -3051 -326 -2536 -2330 -1034 -1537 -154 758 1092 193 1805 634 -327 -687 -1660 -1530 340 677 59 824 327 -1147 -2118 -525 -1273 -1548 -1194 -487 407 773 1296 1868 505 187 -420 -545 1071 -236 -122 475 402 1090 487 625 605 150 -734 -108 -796 722 -580 -355 -454 -57 115 -210 -537 297 901 -397 624 -7 -543 -722 -4740 -515 1046 140 -1776 -673 78 -549 -2185 174 -393 -1186 1067 1943 628 -1187 -198 -57 626 -356 360 1169 -500 108 -783 451 -332 -1022 -743 1979 -944 -207 -207 -909 561 -382 -82 -1077 696 809 -363 1239 967 -450 -458 975 707 26 -256 926 383 402 879 1462 -194 1944 230 -958 -164 -344 455 2116 1437 1308 1156 -1093 -214 -1138 1390 1039 -489 2045 -596 -741 -560 -673 -1343 -899 -1273 -2365 -278 -2260 -2232 -1036 -1655 -174 829 1225 218 2078 688 -331 -655 -1589 -1562 378 783 75 1105 435 -1460 -2525 -634 -1471 -1914 -1557 -664 581 1093 1957 2962 825 297 -634 -768 1520 -341 -171 703 624 1703 754 939 872 222 -1049 -149 -1134 1087 -888 -574 -765 -92 195 -379 -1014 572 1651 -735 1180 -12 -964 -1272 SS 20241227T145301.5Z 9127.620156 200 1 53.14 2 70.01 147.29 64.33 189.39 0.00 1 0.00 1 0 17 7.973e-02 1.177e-02 1.762e-02 2.816e-03 3.435483e-01 1.442909e-03 4.057903e-03 -6.000000e+00 4.688090e-02 223.43 -2.00 3.48 -2.00 318.45 0.00e+00 1.288064e-03 2.892018e-04 7.161384e-04 -6.000000e+00 2.072822e-03 277.73 -2.00 20.00 -2.00 317.80 0.00e+00 2.895 0.000 302.00 328.00 3 4.9815e+00 3.8797e-03 3.3469e-02 -6.0000e+00 1.1536e-01 2.7554e-02 4.4247e-03 1.7274e-02 -6.0000e+00 1.2573e-01 -8.2994e-03 2.9366e-03 8.6923e-03 -6.0000e+00 7.4993e-02 -2.7369e-03 1.5095e-03 2.5999e-03 -6.0000e+00 3.1268e-02 1.3554e-04 -4.1709e-04 9.0032e-05 3.2566e-05 -6.0000e+00 2.4647e-03 1.1950e-02 -1.2151e-05 12 9 8 11 8 0 64.08 23.00 0.65 0.01195 0.00882 14 2 1 5 0 3795.060 25.90 20.00 23.00 13.82 5.7 921.63 -58098 -10548 34844 7273 -23530 -18189 12127 -2461 -17391 -823 -23294 -9276 -635 33897 3226 -8185 -4896 -4738 3546 -2259 8506 5317 -2457 -408 327 -463 -1360 -6376 -3537 13505 -3356 -1936 -378 -3271 1392 -2875 -3560 -2593 2041 4570 -1738 4172 2944 -1623 -274 1382 1098 -1336 -1092 1720 1468 750 2419 3339 521 3272 325 -1102 -1988 -34 1401 4095 2455 1800 1225 -2327 418 -428 1704 1802 -899 2397 -1174 -285 -1165 -1476 -1895 -1572 -2585 -3027 -1850 -2115 -1850 -1154 -1342 110 439 1313 366 2278 227 -268 -816 -2167 -1621 85 919 373 874 321 -1481 -1200 -1079 -1399 -1658 -1471 55 358 914 731 1989 622 271 -503 -479 756 92 40 26 444 752 560 806 738 52 -239 391 -892 183 -382 -198 -191 -106 35 -178 -248 394 489 -509 360 -320 -449 -383 -4628 -585 1282 342 -1390 -979 503 -130 -1185 -51 -1849 -678 -48 2141 322 -1034 -647 -662 480 -337 1166 758 -389 -67 56 -83 -248 -1177 -609 1973 -623 -390 -82 -755 299 -643 -867 -725 649 1500 -673 1617 1198 -704 -118 587 465 -575 -469 736 669 371 1256 1819 304 1908 199 -681 -1223 -20 861 2635 1604 1262 871 -1635 272 -280 1165 1372 -766 2063 -1045 -241 -924 -1065 -1266 -1113 -1797 -2377 -1620 -1898 -1782 -1171 -1457 125 488 1485 417 2638 250 -273 -786 -2099 -1664 95 1062 477 1172 428 -1894 -1419 -1312 -1622 -2057 -1928 74 511 1292 1108 3143 1011 430 -756 -670 1069 131 56 38 684 1171 861 1202 1058 77 -338 533 -1262 275 -578 -317 -316 -181 59 -316 -461 748 887 -931 673 -579 -786 -665 SS 20241227T145840.4Z 9127.624078 203 1 53.16 2 69.43 148.53 64.53 190.77 0.00 1 0.00 1 0 17 6.911e-02 1.148e-02 1.532e-02 2.698e-03 3.315383e-01 1.381059e-03 3.909940e-03 -6.000000e+00 4.065497e-02 223.43 -2.00 3.48 -2.00 318.32 0.00e+00 1.459916e-03 2.670275e-04 6.738850e-04 -6.000000e+00 1.796775e-03 277.73 -2.00 20.00 -2.00 317.67 0.00e+00 2.818 0.000 302.00 328.00 3 5.0085e+00 3.6862e-03 3.2465e-02 -6.0000e+00 1.0004e-01 1.6376e-02 4.1989e-03 1.6548e-02 -6.0000e+00 1.0902e-01 -6.3909e-03 2.7482e-03 8.3641e-03 -6.0000e+00 6.5027e-02 -1.3949e-03 1.4028e-03 2.6107e-03 -6.0000e+00 2.7124e-02 1.4513e-04 3.1851e-04 8.5926e-05 3.1459e-05 -6.0000e+00 2.1364e-03 1.0687e-02 5.1520e-05 12 9 8 11 8 0 73.67 23.01 0.62 0.01069 0.01308 14 2 1 5 0 3796.420 25.90 20.00 23.01 13.96 5.6 921.58 -52127 -1697 29364 20094 -20777 -22284 5516 -6264 -13693 370 -12441 -13748 -1269 14742 7039 -8099 -1732 -6010 4225 -2307 7030 6304 -2583 997 -6374 915 -3471 -4825 -5121 11694 -2527 -120 -2707 -3665 2100 -2271 -2093 -3350 1450 2390 -1143 3017 3887 -54 -100 2215 45 -722 -385 1346 232 1358 2153 2704 676 2889 991 -2241 -828 -552 1238 3831 2898 2097 1932 -1869 -103 -1222 754 1603 -158 2281 -429 347 -519 -1024 -2732 -863 -2671 -3329 -1588 -2370 -1588 -2056 -1462 -400 510 863 463 1341 348 -206 -451 -994 -2141 482 487 298 1106 -235 -740 -1985 -728 -1207 -1071 -1342 -188 507 671 1102 1944 637 276 -313 -1046 975 247 -66 467 347 730 497 802 487 54 -495 -265 -606 605 55 -215 -595 -4 -231 154 -390 201 543 -282 500 -119 -379 -868 -4389 -96 1275 925 -1329 -1390 271 -382 -994 25 -976 -1154 -106 1234 739 -1112 -241 -922 615 -372 1056 961 -441 173 -1254 174 -691 -938 -958 1859 -496 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