File name: Pandora159s1_Wakkerstroom_20200713_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T160914.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: B. Scholes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora159_OF_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v6d20191220.txt Level 1 file used: Pandora159s1_Wakkerstroom_20200713_L1_smca1c6d20191220p1-8.txt Full location name: Global Change Institute, University of Witwatersrand field site in Wakkerstroom Short location name: Wakkerstroom Country of location: South Africa Location latitude [deg]: -27.3493 Location longitude [deg]: 30.1438 Location altitude [m]: 1760 Local noon date: 20200713 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: Update session 4 based on session2 for SO2 First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0490 305.1898 305.3306 305.4713 305.6121 305.7529 305.8936 306.0343 306.1750 306.3157 306.4564 306.5971 306.7378 306.8785 307.0191 307.1597 307.3004 307.4410 307.5816 307.7222 307.8628 308.0033 308.1439 308.2845 308.4250 308.5655 308.7060 308.8465 308.9870 309.1275 309.2680 309.4084 309.5489 309.6893 309.8297 309.9701 310.1105 310.2509 310.3913 310.5317 310.6720 310.8124 310.9527 311.0930 311.2333 311.3736 311.5139 311.6542 311.7944 311.9347 312.0749 312.2152 312.3554 312.4956 312.6358 312.7760 312.9161 313.0563 313.1964 313.3366 313.4767 313.6168 313.7569 313.8970 314.0371 314.1771 314.3172 314.4572 314.5973 314.7373 314.8773 315.0173 315.1573 315.2973 315.4372 315.5772 315.7171 315.8570 315.9969 316.1369 316.2767 316.4166 316.5565 316.6964 316.8362 316.9760 317.1159 317.2557 317.3955 317.5352 317.6750 317.8148 317.9545 318.0943 318.2340 318.3737 318.5134 318.6531 318.7928 318.9325 319.0721 319.2118 319.3514 319.4910 319.6307 319.7703 319.9098 320.0494 320.1890 320.3285 320.4681 320.6076 320.7471 320.8866 321.0261 321.1656 321.3051 321.4445 321.5840 321.7234 321.8628 322.0023 322.1417 322.2810 322.4204 322.5598 322.6991 322.8385 322.9778 323.1171 323.2564 323.3957 323.5350 323.6743 323.8135 323.9528 324.0920 324.2312 324.3704 324.5096 324.6488 324.7880 324.9272 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20200713T051827.8Z 7499.221155 23 1 49.65 2 84.91 62.29 36.88 329.87 0.00 1 0.00 1 0 25 8.500e-01 2.810e-02 5.036e-01 2.046e-02 9.772589e-01 1.209857e-02 9.733302e-03 -6.000000e+00 4.926536e-01 225.46 -2.00 3.06 -2.00 322.47 0.00e+00 6.532281e-03 7.118795e-03 1.564125e-02 -6.000000e+00 2.196059e-02 276.81 -2.00 20.00 -2.00 322.06 0.00e+00 9.741 0.006 302.00 328.00 3 4.9242e-01 4.8202e-02 1.3208e-01 -6.0000e+00 1.2250e+00 1.1302e+00 6.4914e-02 1.3358e-01 -6.0000e+00 1.3390e+00 -1.4960e+00 5.9451e-02 4.4977e-02 -6.0000e+00 7.9012e-01 5.9700e-01 2.7821e-02 1.0306e-02 -6.0000e+00 3.3157e-01 4.3850e-05 -1.6826e-03 5.6014e-04 2.0058e-04 -6.0000e+00 2.3392e-02 1.9159e-03 0.0000e+00 12 9 8 11 8 0 65.75 15.51 0.34 0.00192 -0.01073 49 11 4 8 0 1013.050 14.92 15.51 5.25 18.62 18.62 12.2 852.60 -155481 -117281 -53103 -111398 43544 12612 900000 -186846 900000 -125964 -156909 -103105 -18923 -97373 900000 -33426 900000 900000 9077 -67928 177955 -1555 14149 -23827 -5099 900000 13027 47032 -82111 -12217 14493 40208 57902 98401 -7587 46000 900000 -24772 231339 -20899 476486 26487 -415 900000 30099 -15080 11442 31705 51539 613176 9270 90805 35856 42987 33675 41419 1310 70177 38203 90035 24054 -19729 35785 -4001 53847 17603 51683 9025 54655 23651 8623 24397 1300 22066 -5528 31137 46227 151 -14639 12023 -5537 105 1805 4293 2427 1655 -2324 -5076 9428 8765 10862 2652 1968 -5528 -1510 -2008 -1099 637 -2544 -4049 -1566 -1522 -2602 5298 -4784 -5220 -2583 982 -663 -2896 -3771 -1254 -3499 1076 -958 711 2864 1118 -1506 -755 -760 945 941 -423 2881 3499 3720 5407 -1932 893 731 1864 583 687 -366 -506 812 -477 -346 -259 636 -1312 -1429 -5071 -2991 -1058 -2475 867 251 900000 -6313 900000 -2509 -4073 -2054 -377 -2553 900000 -709 900000 900000 181 -2462 3545 -31 282 -503 -102 900000 259 937 -2722 -243 289 801 1153 1960 -232 916 900000 -964 4608 -1067 9491 1002 -21 900000 1119 -864 518 1233 1762 12214 569 2867 2095 2546 2292 2683 126 3419 2374 3231 1619 -2179 2676 -508 4290 2014 4288 1184 5140 3426 1581 3988 259 3334 -970 3417 4122 22 -2788 2171 -1413 30 560 1397 846 613 -937 -2160 3472 3130 3580 896 661 -2135 -648 -1039 -672 452 -2090 -3488 -1247 -1083 -1656 3022 -3186 -3718 -1896 756 -587 -3050 -4630 -1669 -4958 1469 -1295 918 3669 1529 -2224 -1144 -1125 1303 1240 -549 3548 4168 4301 6478 -2903 1540 1443 3984 1358 1717 -990 -1453 2344 -1408 -1015 -732 1648 -3187 -3270 SS 20200713T053216.3Z 7499.230744 26 1 50.61 2 82.21 60.54 38.54 325.04 0.00 1 0.00 1 0 25 6.039e-01 7.641e-03 2.210e-01 2.943e-03 7.649732e-01 1.622685e-03 7.395628e-03 -6.000000e+00 3.409531e-01 225.46 -2.00 3.06 -2.00 321.72 0.00e+00 4.861420e-03 8.581696e-04 3.444682e-03 -6.000000e+00 1.483842e-02 276.81 -2.00 20.00 -2.00 321.25 0.00e+00 6.897 0.002 302.00 328.00 3 2.2949e-01 5.8223e-03 7.0010e-02 -6.0000e+00 8.4452e-01 1.0513e-01 8.9628e-03 4.8300e-02 -6.0000e+00 9.1900e-01 -1.0306e-01 1.0253e-02 2.1437e-02 -6.0000e+00 5.4655e-01 3.1601e-02 4.7325e-03 8.8111e-03 -6.0000e+00 2.3287e-01 7.1037e-04 -1.0675e-03 8.2127e-05 8.3881e-05 -6.0000e+00 1.6122e-02 1.7761e-03 0.0000e+00 11 8 0 10 0 0 69.22 16.82 0.26 0.00178 -0.00625 257 55 2 8 0 191.670 15.02 16.82 8.02 19.64 19.64 11.6 865.14 -206835 -154944 -193088 96750 -268227 -175922 -187892 -195316 -171869 -220491 -124352 -166922 -163860 -135947 -62495 -78586 -48321 -38810 -12846 -34601 -20872 -61911 -45389 -25131 -67929 -34108 -47342 8959 -68845 -28999 -42112 -5142 -11803 6430 -7042 -15906 -12018 -18772 1180 -8063 889 -10299 3998 -3152 2220 -5922 -70 5957 1001 10106 2596 4662 1706 7342 1840 7314 3001 4054 3218 3287 2840 2879 4977 1945 2108 2229 4682 1977 5922 1134 2265 504 795 342 -2314 357 -632 2377 -506 248 -1072 4 -2296 -525 -1335 -997 -252 -464 -148 -407 1328 174 351 570 1438 302 1194 80 -566 -410 -140 414 672 883 -1997 -1150 -1524 -1042 -666 32 -403 -75 -38 101 354 1097 1292 -1 -187 -898 -550 -323 201 -36 854 358 1016 1534 238 14 273 317 -104 392 -271 -329 -94 168 -560 -164 52 -90 403 -890 -489 -998 278 -2520 -707 -917 -1177 -937 -2152 -500 -1198 -1505 -1288 -377 -699 -374 -312 -88 -318 -174 -782 -508 -252 -1150 -441 -720 77 -1304 -408 -834 -89 -261 131 -162 -393 -310 -563 36 -328 38 -540 194 -171 117 -351 -4 345 65 657 205 412 174 778 221 876 389 522 406 405 361 404 792 368 434 460 938 424 1355 316 697 166 260 106 -670 90 -150 558 -138 81 -424 2 -1188 -285 -778 -617 -163 -311 -99 -263 791 98 191 321 906 226 955 75 -593 -438 -141 370 585 751 -1870 -1135 -1590 -1064 -748 41 -579 -117 -61 155 520 1529 1795 -1 -290 -1466 -884 -494 293 -52 1155 471 1392 2163 354 25 525 655 -229 914 -682 -876 -254 464 -1553 -437 130 -208 884 SS 20200713T053830.7Z 7499.235078 29 1 51.48 2 81.01 59.72 39.36 322.99 0.00 1 0.00 1 0 25 3.778e-01 5.970e-03 1.201e-01 1.735e-03 6.930324e-01 9.360014e-04 6.879118e-03 -6.000000e+00 2.133051e-01 225.46 -2.00 3.06 -2.00 321.36 0.00e+00 3.515973e-03 4.482763e-04 2.816233e-03 -6.000000e+00 9.282894e-03 276.80 -2.00 20.00 -2.00 320.86 0.00e+00 6.078 0.001 302.00 328.00 3 1.2793e-01 3.1455e-03 6.1290e-02 -6.0000e+00 5.2835e-01 5.9190e-02 4.5455e-03 4.0601e-02 -6.0000e+00 5.7494e-01 -3.6380e-02 5.0516e-03 1.8196e-02 -6.0000e+00 3.4193e-01 2.9327e-03 2.3962e-03 7.0660e-03 -6.0000e+00 1.4569e-01 1.5846e-03 -9.6573e-04 4.8297e-05 6.8963e-05 -6.0000e+00 1.0086e-02 1.5808e-03 0.0000e+00 10 0 0 10 0 0 27.73 17.20 0.24 0.00158 -0.00568 401 86 2 8 0 122.850 15.01 17.20 9.28 19.96 19.96 11.7 871.91 -167360 -118881 -137318 -94855 -133955 -108426 -105065 -110430 -115913 -93750 -96509 -118182 -81602 -52991 -40062 -55122 -32518 -38927 -27681 -19506 -26816 -22327 -35845 -24296 -33810 -23408 -23092 -12186 -28729 -23089 -18119 119 -9973 -2092 -11473 -9709 -11204 -5402 -6050 -4352 -4776 -1702 1159 -2417 1477 -54 1868 1289 332 1044 2587 3871 4092 2800 2284 2757 572 549 855 1227 1284 1352 2519 2337 1020 2170 2772 1941 2590 1136 493 -212 -157 -490 -315 130 20 -500 536 -75 -507 -405 -2151 -1149 -1341 -1245 -713 -666 164 -64 886 921 878 1747 878 555 791 322 -402 -412 11 -139 905 731 -1252 -1179 -856 -779 -289 -112 -289 -298 63 309 343 1191 736 404 -182 -856 -708 -348 -12 -293 503 135 835 1634 466 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