File name: Pandora159s1_Wakkerstroom_20210521_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T030036.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: B. Scholes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora159_OF_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20210521_L1_smca1c3d20201207p1-8.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: 20210521 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°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 20210521T050157.1Z 7811.209689 48 1 49.38 2 85.56 64.49 161.53 199.86 0.00 1 0.00 1 0 25 6.402e-01 3.506e-02 5.119e-01 3.027e-02 8.864319e-01 1.834894e-02 8.319825e-03 -6.000000e+00 3.827633e-01 224.88 -2.00 3.06 -2.00 322.44 0.00e+00 2.559442e-03 1.034406e-02 4.114161e-03 -6.000000e+00 1.784640e-02 278.50 -2.00 20.00 -2.00 322.01 0.00e+00 10.747 0.007 302.00 328.00 3 3.4952e-01 7.1970e-02 1.0005e-01 -6.0000e+00 9.5810e-01 1.1119e+00 9.5282e-02 5.7446e-02 -6.0000e+00 1.0580e+00 -1.5025e+00 8.0693e-02 2.5339e-02 -6.0000e+00 6.1479e-01 6.0584e-01 3.8323e-02 7.8288e-03 -6.0000e+00 2.5391e-01 2.7196e-05 -2.4113e-03 9.0247e-04 1.0013e-04 -6.0000e+00 1.8485e-02 4.8613e-03 12 8 8 10 0 0 29.38 18.97 0.83 0.00486 -0.01326 40 9 4 8 0 1234.270 14.99 18.97 14.34 21.38 21.27 16.7 871.98 -92963 9902 900000 -74445 900000 -114065 900000 900000 900000 -145644 -168886 -117023 -1062 900000 900000 900000 43680 900000 -92745 900000 900000 75426 212461 55456 900000 39737 -5526 -50600 90953 12599 900000 900000 255614 900000 900000 49902 -28197 43229 -8710 134136 84439 68678 900000 900000 42308 900000 145131 89454 -22744 141909 60639 24447 7307 48843 22576 32300 297141 23289 43565 42640 112467 17740 3544 3144 65353 22926 47722 85621 19005 8247 14100 46924 18802 154113 10725 39892 -7589 -21200 -3491 10249 33927 -1020 11345 5149 1583 -2157 -2963 7675 6913 19117 -7960 -6257 -6719 4679 3312 -5280 -7376 -101 -6016 -3743 -5053 -3238 -132 1339 -243 248 -10919 1734 80 -4404 2374 -5825 -1006 -1717 -983 -426 606 3552 -475 1504 -1119 6867 2661 2202 334 3927 301 3923 -818 796 -692 1024 1578 -827 -465 376 1361 226 -521 36 238 -1878 -2000 -3231 291 900000 -2189 900000 -3354 900000 900000 900000 -6229 -9029 -4067 -31 900000 900000 900000 1284 900000 -6198 900000 900000 2218 6247 1631 900000 1168 -162 -1758 2674 370 900000 900000 7516 900000 900000 1467 -1206 1271 -419 3944 2483 2221 900000 900000 1742 900000 4268 2630 -1763 4173 2675 1725 605 3160 1991 2659 8737 2054 2946 2758 3638 1617 388 395 5189 2764 4490 5791 2794 1411 2488 6761 3166 6797 1766 4340 -1250 -4177 -667 2079 6484 -292 3184 1638 554 -830 -1204 2872 2587 6081 -3106 -2275 -2425 1775 1346 -2795 -4732 -71 -4953 -3061 -3930 -2199 -78 773 -154 166 -8669 1321 70 -4686 2710 -7895 -1342 -2286 -1254 -525 750 4500 -665 2135 -1595 8572 3321 2696 405 4472 347 4646 -1190 1334 -1329 2106 3455 -2000 -1206 1022 3732 634 -1466 96 586 -4353 -4438 SS 20210521T051604.4Z 7811.219495 51 1 50.35 2 82.75 62.72 162.23 189.43 0.00 1 0.00 1 0 25 4.432e-01 7.674e-03 1.952e-01 3.181e-03 7.058795e-01 1.752899e-03 6.792977e-03 -6.000000e+00 2.519851e-01 224.88 -2.00 3.06 -2.00 321.73 0.00e+00 3.252870e-03 9.329631e-04 2.314736e-03 -6.000000e+00 1.148693e-02 278.50 -2.00 20.00 -2.00 321.24 0.00e+00 7.331 0.002 302.00 328.00 3 1.3366e-01 6.3379e-03 6.9450e-02 -6.0000e+00 6.2323e-01 9.4116e-02 9.4728e-03 4.0393e-02 -6.0000e+00 6.8007e-01 -9.7722e-02 1.0526e-02 1.8899e-02 -6.0000e+00 4.0209e-01 2.9696e-02 4.8903e-03 6.9766e-03 -6.0000e+00 1.7166e-01 6.1922e-04 -9.1948e-04 9.2534e-05 7.3726e-05 -6.0000e+00 1.2195e-02 4.2830e-03 11 8 0 10 0 0 11.35 18.97 0.28 0.00428 -0.00263 240 52 2 8 0 205.470 14.99 18.97 15.44 21.27 21.27 16.6 877.73 -230264 900000 -193613 900000 -181365 900000 -185569 900000 -149082 7801 -87953 -129842 -99049 -111177 -27011 -88152 42708 -64476 14022 -59394 -29589 -55532 13782 -22704 -36251 32094 -29924 -22122 -37839 -24021 -36293 32016 -15836 1553 -12783 13799 -5389 -7636 -4196 -15559 182 641 3894 -4777 5316 50 6093 -3150 4493 -3284 4899 6923 3210 5130 -1287 3581 -1186 2823 -1643 2759 2241 6587 3820 2117 3556 4136 2433 1775 3596 -385 2709 -1655 252 -848 -227 -9 781 -8 1210 -210 -1434 179 -3055 -193 -1710 -61 -337 -261 -345 722 805 45 1055 882 1194 141 1324 -41 -499 -543 45 82 1435 357 -1656 -823 -2859 -395 -786 92 -639 -23 -384 631 235 1398 1132 568 51 -937 -383 -299 98 -438 792 53 1475 1600 456 166 -5 152 -83 471 -552 -259 -135 63 -690 79 -245 434 289 -1882 900000 -1419 900000 -1073 900000 -1255 900000 -924 24 -382 -915 -670 -1128 -167 -1118 185 -836 100 -854 -325 -798 115 -275 -552 289 -464 -312 -629 -386 -808 442 -415 37 -339 280 -147 -258 -170 -851 10 37 228 -315 324 3 393 -234 329 -283 439 689 367 630 -180 501 -179 409 -242 383 325 1019 701 412 724 826 536 377 843 -109 819 -545 80 -256 -62 -2 195 -2 354 -68 -560 79 -1530 -100 -961 -36 -209 -167 -219 437 455 24 541 474 727 101 1098 -40 -529 -577 44 72 1136 288 -1470 -767 -2873 -417 -920 121 -943 -35 -605 953 338 1908 1563 829 80 -1528 -612 -456 144 -625 1076 69 1858 2117 697 289 -10 313 -181 1087 -1380 -680 -361 170 -1737 205 -599 984 636 SS 20210521T052216.4Z 7811.223801 54 1 51.25 2 81.53 61.92 162.37 184.66 0.00 1 0.00 1 0 25 3.415e-01 6.655e-03 1.065e-01 1.854e-03 6.352685e-01 9.811803e-04 6.270939e-03 -6.000000e+00 1.916947e-01 224.88 -2.00 3.06 -2.00 321.30 0.00e+00 3.437492e-03 4.665968e-04 2.000499e-03 -6.000000e+00 8.443526e-03 278.50 -2.00 20.00 -2.00 320.77 0.00e+00 6.406 0.002 302.00 328.00 3 6.1995e-02 3.2877e-03 6.0815e-02 -6.0000e+00 4.7388e-01 4.4964e-02 4.5944e-03 3.4910e-02 -6.0000e+00 5.1643e-01 -2.1020e-02 4.9352e-03 1.5838e-02 -6.0000e+00 3.0754e-01 -2.8098e-03 2.3655e-03 6.3082e-03 -6.0000e+00 1.3084e-01 1.4413e-03 -9.2906e-04 5.3016e-05 6.1642e-05 -6.0000e+00 9.1248e-03 3.9787e-03 11 8 0 10 0 0 23.30 18.97 0.24 0.00398 -0.00300 382 82 2 8 0 129.070 14.99 18.97 15.94 21.38 21.27 16.7 880.41 -136612 -104314 -33440 -87875 -148387 -124551 -133151 -145053 -90668 -122020 -55147 -55991 -53770 -57772 -21167 -44687 -29021 -12755 -28572 -18085 -22251 -14033 -21996 -18160 -15472 -11153 -22502 -21479 -6777 -15354 -11079 -6626 -3590 -11197 -8042 -8704 -3873 -6293 -1011 -3610 -450 -107 -2460 809 121 2521 -1042 1154 255 4047 1738 3781 2555 1798 1476 1847 1146 672 583 1136 2467 1811 3798 604 1389 1828 1838 1258 2170 -206 150 355 -426 -220 -1161 148 234 1183 816 153 -487 -937 -1911 -1039 -983 -963 -802 -477 53 -16 1152 622 1353 1285 812 310 1027 487 -695 -229 -168 235 834 494 -1690 -1093 -1838 -548 -126 -177 -416 -204 42 331 679 1141 867 306 -146 -788 -811 -219 -87 -127 562 340 1327 1651 248 231 42 256 130 276 -429 -519 58 -101 -602 -193 95 41 474 -865 -566 -97 -429 -1234 -811 -1035 -1469 -607 -1213 -299 -354 -428 -627 -203 -595 -415 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