File name: Pandora75s1_EssexMD_20250205_L2Fit_fout2c3d20230525p1-8.txt File generation date: 20250206T052508.0Z 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_20250205_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: 20250205 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 20250205T135252.2Z 9167.578382 109 1 6.25 2 73.19 127.84 108.83 39.96 0.00 1 0.00 1 0 17 1.558e-01 1.219e-02 1.213e-01 7.832e-03 4.084579e-01 4.047348e-03 4.885420e-03 -6.000000e+00 9.201695e-02 224.64 -2.00 3.48 -2.00 319.09 0.00e+00 3.525384e-03 9.953505e-04 1.228554e-03 -6.000000e+00 4.032222e-03 276.57 -2.00 20.00 -2.00 318.49 0.00e+00 3.406 0.001 302.00 328.00 3 3.9923e+00 1.1092e-02 3.9662e-02 -6.0000e+00 2.2713e-01 8.1569e-04 1.2794e-02 2.0833e-02 -6.0000e+00 2.4742e-01 7.6029e-03 9.5492e-03 1.1216e-02 -6.0000e+00 1.4733e-01 -1.2992e-02 5.0179e-03 4.3233e-03 -6.0000e+00 6.1194e-02 2.0637e-04 -6.7654e-04 2.4675e-04 5.3914e-05 -6.0000e+00 4.8191e-03 1.2474e-02 -6.6986e-05 12 9 9 12 1 1 999.00 22.95 0.68 0.01247 0.00739 2 4 1 5 0 2082.430 25.79 20.00 22.95 8.64 5.8 890.07 -68303 -15061 112270 -21192 -20493 -3428 18479 -35168 -47067 76266 -18315 4561 20491 39668 3039 -8052 -5163 7263 -11834 -4807 -423 16289 34375 -9619 -3472 -2017 -258 -7884 -9399 2398 -8211 -11801 319 -1536 -12533 523 -2878 -936 651 -1939 1456 -143 2976 -859 4024 -4149 5691 -434 1427 2591 1094 -1944 2851 3197 1022 2811 -1162 -388 -1897 2842 295 3290 4242 1099 1790 -992 1970 -938 3149 2205 -214 3534 -791 -2581 -1574 -267 -1940 -2507 -880 -1899 -1399 -2297 -2011 -1214 -742 346 469 1550 -406 1318 918 -1854 -1324 -394 492 438 1212 24 916 -738 -2374 -1072 -28 -141 -2400 -1636 -523 -840 406 1050 1599 928 561 -903 513 -85 362 210 -403 98 262 1449 881 1133 1082 569 -381 -1254 444 -935 -809 -327 399 730 -48 -661 56 -346 740 -31 40 -289 -664 -2869 -426 943 -664 -595 -81 367 -1316 -2193 1107 -713 153 689 1333 176 -603 -414 555 -1166 -463 -40 1319 2389 -1095 -393 -234 -30 -957 -1134 266 -1116 -1875 50 -256 -2288 84 -519 -192 157 -510 412 -44 928 -286 1294 -1466 1833 -150 489 912 419 -834 1255 1494 510 1419 -569 -188 -1008 1443 160 1719 2416 696 1148 -630 1171 -578 2002 1583 -159 2633 -613 -1948 -1181 -180 -1232 -1581 -587 -1455 -1119 -2066 -1949 -1152 -749 368 524 1761 -470 1442 940 -1811 -1311 -387 480 479 1387 30 1233 -999 -3081 -1270 -33 -172 -2978 -2133 -712 -1141 584 1622 2457 1467 872 -1431 750 -121 511 309 -635 151 407 2319 1377 1697 1549 785 -553 -1776 668 -1456 -1341 -565 709 1283 -89 -1237 107 -673 1421 -60 76 -530 -1210 SS 20250205T181313.2Z 9167.759180 279 1 5.73 2 56.38 195.45 66.50 80.11 0.00 1 0.00 1 0 17 1.705e-02 1.001e-02 1.225e-02 6.048e-03 2.305509e-01 3.143792e-03 2.737160e-03 -6.000000e+00 1.007249e-02 224.65 -2.00 3.48 -2.00 316.21 0.00e+00 7.316895e-04 3.488302e-04 1.607432e-04 -6.000000e+00 4.411836e-04 276.57 -2.00 20.00 -2.00 315.62 0.00e+00 1.800 0.000 302.00 328.00 3 5.0467e+00 8.1094e-03 2.1225e-02 -6.0000e+00 2.4863e-02 3.5359e-02 9.0839e-03 1.1422e-02 -6.0000e+00 2.7079e-02 -6.6445e-03 5.2329e-03 5.6376e-03 -6.0000e+00 1.6126e-02 -5.1547e-03 2.3748e-03 1.6212e-03 -6.0000e+00 6.7012e-03 4.3379e-04 -6.0214e-06 1.9165e-04 2.2133e-05 -6.0000e+00 5.2723e-04 9.1911e-03 -7.3514e-05 12 9 9 12 33 1 999.00 23.09 -0.03 0.00919 0.00915 1 3 1 5 0 2863.920 25.90 20.00 23.09 11.70 5.8 911.76 -7959 1446 -3160 342 -3135 -2333 2145 -458 890 -7389 -1706 -4822 -3440 -46 1395 -3065 1010 316 1979 1797 -165 3495 -966 3629 285 2183 -74 -2839 -1958 1861 1746 93 2032 -614 -1526 -2138 -4063 -1232 -1682 444 160 1232 -456 882 509 -245 -999 2040 -362 110 157 829 1020 1180 921 561 -131 -1363 1167 1850 635 2977 2209 265 87 -1357 -1855 -353 933 1696 -540 1201 978 1188 -1153 -1069 -1566 -1947 -1463 -2361 -1796 -919 -1528 -1719 -176 -171 486 371 -87 1030 447 -1126 272 -841 -349 -248 669 67 632 -556 -103 -2014 185 -1522 -1407 -1435 -892 752 449 1187 1135 568 786 -519 153 247 -460 -319 299 -18 1277 983 804 1563 -735 766 -131 -453 1108 -3 -452 -68 -455 -180 200 217 587 366 -319 -275 -315 -839 -753 -1536 277 -647 71 -612 -429 390 -94 196 -1692 -372 -1114 -858 -13 422 -1060 353 115 733 686 -60 1334 -360 1343 114 881 -31 -1140 -801 717 699 37 843 -267 -645 -900 -1875 -636 -949 282 104 831 -321 620 359 -173 -697 1344 -239 72 108 601 779 942 709 441 -105 -1102 907 1429 513 2503 2011 242 79 -1244 -1598 -293 807 1612 -534 1218 994 1159 -1073 -961 -1290 -1653 -1199 -2159 -1705 -947 -1594 -1896 -204 -200 593 465 -110 1231 528 -1236 289 -883 -381 -279 780 86 795 -696 -128 -2376 218 -1776 -1754 -1893 -1162 1009 636 1674 1665 840 1113 -730 197 319 -598 -432 406 -27 1855 1421 1133 2092 -1009 987 -165 -577 1466 -4 -638 -97 -674 -263 307 332 920 587 -515 -432 -504 -1310 -1164 SS 20250205T181811.1Z 9167.762628 282 1 51.72 2 56.65 196.85 65.57 80.78 0.00 1 0.00 1 0 17 1.233e-02 7.824e-03 2.202e-03 1.088e-03 2.306957e-01 5.651757e-04 2.743828e-03 -6.000000e+00 7.284038e-03 224.65 -2.00 3.48 -2.00 316.21 0.00e+00 8.527599e-04 6.275047e-05 1.407658e-04 -6.000000e+00 3.189508e-04 276.57 -2.00 20.00 -2.00 315.63 0.00e+00 1.813 0.000 302.00 328.00 3 4.4963e+00 1.4566e-03 2.1342e-02 -6.0000e+00 1.7980e-02 2.7523e-02 1.6321e-03 1.1460e-02 -6.0000e+00 1.9581e-02 -1.3430e-04 9.4090e-04 5.6517e-03 -6.0000e+00 1.1661e-02 -5.5890e-03 4.2734e-04 1.6520e-03 -6.0000e+00 4.8468e-03 7.4254e-04 1.3404e-04 3.4459e-05 2.2160e-05 -6.0000e+00 3.8115e-04 9.6404e-03 1.6286e-05 11 8 0 10 0 0 99.96 23.10 0.45 0.00964 0.01065 53 9 1 5 0 975.810 25.90 20.00 23.10 11.88 5.8 913.41 -5833 -742 154 -1146 -4324 -2746 -1108 -1538 -1875 -1837 -2794 -3031 -1018 425 1050 -365 54 275 1744 861 2455 1714 1092 1138 836 826 -205 -903 -667 1307 3 974 746 -2106 -2676 -2521 -2350 -1687 -131 -96 -848 -116 84 -85 -196 364 -180 -274 -473 244 689 653 1243 1418 812 1247 415 188 80 554 971 1805 2117 1383 469 -222 -494 -495 780 1362 561 849 489 263 -232 -674 -1560 -1660 -1686 -1958 -1901 -2028 -1908 -1513 -817 -449 253 699 451 512 157 -197 -545 -439 -488 200 675 640 190 -392 -922 -1457 -685 -612 -943 -1018 -520 -31 504 824 855 745 298 35 -256 36 -57 320 521 313 509 604 772 593 632 265 260 235 332 46 -207 -395 -335 24 -14 117 481 343 -49 5 -406 -875 -903 -1171 -140 33 -234 -831 -493 -202 -307 -412 -425 -659 -735 -241 112 310 -120 18 98 633 325 926 652 425 461 325 331 -83 -381 -265 497 1 412 308 -914 -1127 -1048 -1049 -859 -72 -60 -548 -78 58 -60 -138 252 -123 -183 -310 171 467 470 937 1117 664 965 328 148 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