File name: Pandora75s1_EssexMD_20250110_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250117T205958.0Z 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_20250110_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: 20250110 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 20250110T142504.0Z 9141.600741 248 1 50.37 2 72.74 139.31 115.21 4.89 0.00 1 0.00 1 0 17 2.194e-01 1.296e-02 7.132e-02 3.122e-03 4.392390e-01 1.611295e-03 5.182542e-03 -6.000000e+00 1.291950e-01 223.78 -2.00 3.48 -2.00 319.34 0.00e+00 3.583186e-03 4.279379e-04 1.447989e-03 -6.000000e+00 5.686298e-03 276.97 -2.00 20.00 -2.00 318.74 0.00e+00 3.322 0.001 302.00 328.00 3 4.5641e+00 4.4744e-03 3.9776e-02 -6.0000e+00 3.1825e-01 3.8534e-02 5.2202e-03 2.2295e-02 -6.0000e+00 3.4679e-01 -3.4674e-02 4.0119e-03 1.2349e-02 -6.0000e+00 2.0670e-01 1.1695e-02 2.0900e-03 4.9195e-03 -6.0000e+00 8.6073e-02 1.1889e-04 1.0966e-04 9.8366e-05 6.4565e-05 -6.0000e+00 6.7827e-03 1.2053e-02 3.3259e-05 12 8 8 10 0 0 99.44 22.78 0.64 0.01205 0.01288 14 2 1 5 0 3597.540 25.68 20.00 22.78 5.72 5.7 866.43 -123909 -9613 146041 3838 -1811 -26388 87626 -7853 -48910 16278 -42491 -9637 3255 112787 4054 -24302 -18197 -2595 7505 -9570 12338 11882 -8922 -1297 -15613 998 -10389 -14310 -10394 16999 2668 -6613 3815 -3686 950 2107 -3385 -1453 6771 4988 -1673 7211 5189 2166 1421 4441 3108 -1301 1321 3183 2075 -2867 3031 4458 2226 4177 100 -3244 -1529 -2416 2446 4593 4043 1266 1628 -1720 261 -582 2776 1985 -1218 2083 -452 318 -1417 -371 -2527 -1675 -848 -3105 -1968 -2823 -2203 -1162 -1067 196 414 575 708 1816 495 -235 -1626 -1787 -1698 382 -67 300 1020 -163 -1354 -2087 -786 -999 -1327 -1581 -226 1014 391 956 1675 616 470 -188 -699 903 -75 320 814 62 692 561 1144 182 199 -677 -38 -556 581 -419 -18 -548 -106 -1 -242 -657 378 788 -273 418 229 -517 -825 -7134 -202 756 81 -37 -675 747 -191 -1981 367 -1798 -320 112 1580 202 -1865 -1452 -191 532 -842 894 872 -829 -118 -1726 97 -1145 -1599 -1095 1413 284 -876 505 -552 133 293 -539 -264 1350 1183 -429 1989 1387 612 410 1260 900 -397 400 985 698 -1103 1185 1831 978 1852 47 -1570 -717 -1143 1146 2286 2231 776 1015 -1072 155 -351 1744 1290 -891 1535 -339 226 -947 -243 -1573 -1026 -557 -2181 -1557 -2513 -1945 -1079 -1057 204 451 641 786 1917 494 -219 -1584 -1758 -1669 414 -77 378 1352 -216 -1710 -2450 -931 -1207 -1589 -2008 -299 1407 548 1445 2680 1020 762 -292 -1022 1335 -113 465 1247 99 1110 883 1734 268 299 -985 -54 -819 856 -677 -31 -929 -186 -1 -472 -1267 740 1558 -542 796 445 -971 -1537 SS 20250110T143041.1Z 9141.604643 251 1 53.03 2 72.04 140.46 115.10 6.21 0.00 1 0.00 1 0 17 1.771e-01 1.365e-02 4.716e-02 3.386e-03 4.268978e-01 1.746644e-03 5.118824e-03 -6.000000e+00 1.042556e-01 223.78 -2.00 3.48 -2.00 319.28 0.00e+00 1.835022e-03 4.479268e-04 1.590905e-03 -6.000000e+00 4.588760e-03 276.97 -2.00 20.00 -2.00 318.67 0.00e+00 3.200 0.001 302.00 328.00 3 4.8403e+00 4.8149e-03 3.8622e-02 -6.0000e+00 2.5681e-01 4.6699e-02 5.6061e-03 2.2321e-02 -6.0000e+00 2.7985e-01 -4.1518e-02 4.2232e-03 1.1542e-02 -6.0000e+00 1.6680e-01 1.5253e-02 2.1980e-03 3.5948e-03 -6.0000e+00 6.9454e-02 1.0306e-04 1.3582e-04 1.0660e-04 4.9523e-05 -6.0000e+00 5.4736e-03 1.2682e-02 4.6447e-05 12 9 8 11 8 0 97.76 22.78 0.72 0.01268 0.01370 16 3 1 5 0 3314.020 25.68 20.00 22.78 5.98 5.8 868.99 -121743 -9194 62930 6881 -51802 -35291 59519 -12770 -39529 3348 -39473 -8271 11492 98232 22081 -19330 -9206 -427 10681 -6594 5216 6915 -8092 -2571 -12767 -4235 -4027 -17889 147 28403 1055 -4901 7234 -2053 3760 1515 -6110 -1244 5538 7484 -302 7720 4450 1117 1945 2865 2901 -1468 650 3727 136 -444 1754 3997 2439 3105 355 -3499 -2098 -1002 1090 3881 2139 1047 2959 -992 -515 -1179 2536 1950 480 2591 -624 -411 -1361 -429 -3233 -1348 -1393 -2170 -1657 -1982 -2928 -695 -1524 -31 798 764 298 2205 322 -921 -989 -1604 -2085 -97 -32 822 828 157 -1308 -2131 -1529 -1057 -1486 -1645 -183 756 694 835 1954 656 454 -86 -714 849 -184 120 339 798 1046 445 690 713 790 -419 -254 -1253 636 168 34 -860 -296 -262 -208 -519 346 987 -598 372 170 -569 -646 -7930 -221 852 159 -2001 -1119 766 -375 -1684 100 -1877 -311 414 1784 1021 -1551 -733 -33 794 -607 437 575 -807 -257 -1501 -477 -456 -2257 15 2251 121 -670 967 -315 534 220 -1041 -235 1168 1811 -88 2213 1372 331 576 933 946 -456 221 1276 47 -168 699 1661 1077 1404 168 -1715 -998 -471 519 1946 1200 639 1804 -606 -303 -704 1571 1359 339 1868 -462 -290 -977 -276 -1991 -805 -897 -1602 -1269 -1697 -2735 -674 -1591 -31 839 825 322 2245 337 -906 -923 -1517 -2141 -101 -38 1062 1128 213 -1694 -2568 -1740 -1222 -1835 -2152 -249 1004 990 1287 3168 1029 747 -135 -1055 1184 -261 177 527 1286 1691 709 1063 1054 1114 -618 -364 -1746 942 271 59 -1457 -519 -481 -403 -990 671 1928 -1178 749 329 -1063 -1195 SS 20250110T144120.9Z 9141.612047 254 1 50.77 2 70.76 142.70 114.83 8.71 0.00 1 0.00 1 0 17 1.211e-01 1.241e-02 2.863e-02 2.974e-03 3.983078e-01 1.525138e-03 4.699444e-03 -6.000000e+00 7.132825e-02 223.78 -2.00 3.48 -2.00 318.93 0.00e+00 1.655846e-03 3.564331e-04 1.124636e-03 -6.000000e+00 3.139620e-03 276.97 -2.00 20.00 -2.00 318.32 0.00e+00 3.000 0.000 302.00 328.00 3 4.8566e+00 4.1697e-03 3.5951e-02 -6.0000e+00 1.7570e-01 2.7528e-02 4.8069e-03 2.0274e-02 -6.0000e+00 1.9147e-01 -2.1872e-02 3.4359e-03 1.0388e-02 -6.0000e+00 1.1412e-01 6.7303e-03 1.7870e-03 3.2247e-03 -6.0000e+00 4.7518e-02 1.2816e-04 -8.4244e-06 9.4229e-05 4.2978e-05 -6.0000e+00 3.7450e-03 1.2101e-02 1.5170e-05 12 9 8 11 8 0 93.42 22.80 0.54 0.01210 0.01204 14 2 1 5 0 3626.050 25.68 20.00 22.80 6.13 5.7 868.70 -91430 -8091 52035 -8320 -42455 -14095 16174 3379 -29768 1043 -35679 -6672 26513 39067 14452 -13533 -7146 -6811 12061 -5329 9168 6344 -8854 -543 -14317 2454 -5219 -13898 -5107 17094 1331 -3410 5716 -5907 3113 -959 -6111 -4238 2979 4857 1330 5741 3079 832 169 3482 -3 1107 -556 3067 1121 -1538 1883 4582 2355 2677 972 -3585 -2445 -405 1690 4761 2761 1080 1149 -785 -289 -34 1929 1961 114 2282 -678 213 -320 -1712 -2042 -1991 -2295 -2724 -2345 -2141 -2088 -1155 -1478 -204 254 773 1041 1398 298 -471 -914 -1650 -794 284 503 122 1196 -625 -1249 -1713 -823 -925 -1402 -1390 -679 444 514 1098 1533 721 496 -178 -963 802 155 208 406 412 469 660 1142 247 681 -224 -354 -642 528 -59 -196 -550 -365 32 -564 -244 512 774 -358 323 267 -609 -841 -5786 -277 1026 -292 -1945 -470 418 110 -1494 41 -2111 -317 1046 1620 905 -1280 -692 -703 1091 -598 912 655 -1097 -65 -2101 317 -734 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