File name: Pandora159s1_Wakkerstroom_20200826_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T163130.7Z 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_20200826_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: 20200826 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 20200826T044540.0Z 7543.198380 37 1 48.01 2 85.03 75.75 132.33 169.09 0.00 1 0.00 1 0 25 6.044e-01 1.287e-01 5.278e-01 9.249e-02 7.081916e-01 5.456576e-02 7.816967e-03 -6.000000e+00 3.677429e-01 226.78 -2.00 3.06 -2.00 321.55 0.00e+00 -5.380660e-02 1.601663e-02 7.476378e-03 -6.000000e+00 1.935141e-02 276.91 -2.00 20.00 -2.00 320.94 0.00e+00 9.913 0.006 302.00 328.00 3 2.8360e+00 1.7044e-01 1.1890e-01 -6.0000e+00 9.1512e-01 1.0196e+00 2.0294e-01 1.3562e-01 -6.0000e+00 1.0045e+00 -1.5264e+00 1.2114e-01 1.5819e-02 -6.0000e+00 5.9181e-01 5.9508e-01 6.5980e-02 4.3097e-02 -6.0000e+00 2.5347e-01 6.0572e-06 6.3491e-03 3.0514e-03 5.0876e-04 -6.0000e+00 1.8756e-02 6.4638e-03 0.0000e+00 12 8 8 10 0 0 80.40 18.68 1.47 0.00646 0.05417 12 3 4 8 0 4000.000 14.99 18.68 16.08 21.06 20.96 11.3 901.85 237774 113337 900000 34293 900000 -117776 900000 78145 900000 -33158 900000 48183 38578 900000 900000 123219 11695 900000 900000 900000 135403 900000 5388 900000 900000 900000 179412 87960 900000 900000 900000 -41356 900000 -9239 141615 37907 900000 900000 900000 900000 76527 900000 90626 6535 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900000 5303 9805 10622 12519 -4752 8073 1166 15272 900000 6231 12175 9337 12134 -9347 13779 -10598 15180 10797 3550 -2731 1578 2701 6771 4215 -8963 1315 341 8022 6614 14633 3091 8574 -25771 1355 6609 11170 7717 13232 -78753 14455 12593 -4983 6133 -10933 8081 -24157 16501 6128 3636 -8672 1026 2623 14694 4049 2697 12434 6970 24051 3462 -153 10539 1773 17351 5929 3690 -6420 2706 5984 -2535 -23591 -1002 -17007 8617 10718 -402 SS 20200826T050030.7Z 7543.208689 40 1 49.41 2 81.84 73.95 131.59 164.75 0.00 1 0.00 1 0 25 5.749e-01 1.111e-02 2.696e-01 5.590e-03 7.102411e-01 3.050169e-03 6.862242e-03 -6.000000e+00 3.261059e-01 226.78 -2.00 3.06 -2.00 321.60 0.00e+00 8.526738e-03 1.572186e-03 2.777355e-03 -6.000000e+00 1.416208e-02 276.91 -2.00 20.00 -2.00 321.13 0.00e+00 6.622 0.002 302.00 328.00 3 1.6142e+00 1.0699e-02 6.6489e-02 -6.0000e+00 8.1010e-01 1.0614e-01 1.5740e-02 4.5175e-02 -6.0000e+00 8.8083e-01 -1.5411e-01 1.7450e-02 1.8830e-02 -6.0000e+00 5.2349e-01 6.0132e-02 8.1470e-03 1.1106e-02 -6.0000e+00 2.2240e-01 2.3328e-04 -9.8872e-04 1.5729e-04 9.1475e-05 -6.0000e+00 1.5409e-02 4.1219e-03 0.0000e+00 12 8 8 10 0 0 29.23 18.67 0.32 0.00412 -0.00331 79 17 4 8 0 625.260 15.00 18.67 16.67 21.06 20.96 11.4 906.61 -193544 -226108 -16586 -184116 -144815 -189202 -196938 -197303 -209982 -202958 -163157 -129474 -86475 900000 -108800 -79050 -46058 -51136 -80498 -46195 -49864 6595 -54002 -59087 -30704 1913 -36258 -42633 -32089 -64462 15723 995 1858 640 17651 -29686 -20253 -12312 -3959 3442 -7710 -5261 -5237 5564 2012 -3816 10648 -247 14220 6454 2076 7282 7582 575 5608 6263 7252 -1220 2652 4058 6447 8773 2412 4123 -1270 1279 2358 3583 5912 2301 1980 429 2707 1029 2848 2073 1092 2854 -223 -2316 1711 -875 -1397 -1940 -813 -1875 -693 525 -1503 828 1785 1384 1224 2302 4 -273 240 92 -1577 -197 193 -183 816 899 -1650 -1344 -5731 -1218 195 402 212 148 -17 315 180 1475 1420 204 -249 -964 -899 -229 214 -499 556 768 1756 2045 893 241 498 277 480 80 -270 -493 -175 -60 -654 -147 -18 -13 348 -1247 -2465 -90 -1460 -789 -1406 -1659 -1858 -2497 -2414 -1374 -988 -566 900000 -1456 -979 -479 -633 -1476 -641 -741 61 -856 -1054 -485 23 -593 -739 -560 -1565 231 21 42 16 367 -971 -652 -433 -157 152 -432 -313 -332 331 128 -267 670 -18 965 512 192 725 834 74 731 844 995 -182 371 551 885 1304 441 850 -298 291 525 813 1447 676 649 150 919 335 833 548 271 707 -64 -818 689 -417 -741 -1102 -486 -1210 -467 361 -1056 550 1101 801 680 1302 3 -209 214 87 -1681 -211 193 -180 716 779 -1573 -1358 -6372 -1387 241 514 304 229 -27 480 259 2013 1939 295 -385 -1564 -1447 -351 314 -777 826 1099 2395 2872 1437 410 938 562 1023 181 -661 -1277 -462 -161 -1769 -382 -44 -29 753 SS 20200826T050659.0Z 7543.213182 43 1 49.92 2 80.46 73.15 131.19 162.90 0.00 1 0.00 1 0 25 2.938e-01 7.071e-03 2.523e-01 2.879e-03 6.414839e-01 1.554784e-03 6.420825e-03 -6.000000e+00 1.666589e-01 226.78 -2.00 3.06 -2.00 321.26 0.00e+00 8.753481e-03 7.233922e-04 4.010134e-03 -6.000000e+00 7.223319e-03 276.91 -2.00 20.00 -2.00 320.76 0.00e+00 5.763 0.001 302.00 328.00 3 1.3562e+00 5.1489e-03 6.1724e-02 -6.0000e+00 4.1404e-01 4.9212e-02 7.1927e-03 4.7969e-02 -6.0000e+00 4.5018e-01 -5.5599e-02 7.8413e-03 1.6308e-02 -6.0000e+00 2.6747e-01 1.6109e-02 3.7640e-03 1.2471e-02 -6.0000e+00 1.1360e-01 6.2116e-04 -1.0563e-03 8.1955e-05 7.5942e-05 -6.0000e+00 7.8471e-03 4.4353e-03 0.0000e+00 11 8 0 10 0 0 79.03 18.67 0.30 0.00444 -0.00350 151 32 4 8 0 326.180 15.00 18.67 17.18 21.06 20.96 11.5 909.45 -19370 -187904 66530 -150393 -32679 -128180 3762 -99988 -19932 -3536 -94374 14272 -81858 17235 -53256 39514 -25747 1476 -45515 -5571 -14418 12040 -13751 -21319 5651 -9976 7867 -23870 -3956 -29313 14351 -16811 8891 -4175 -4603 -124 4008 2484 47 3641 -4997 -1827 -2097 3853 -2108 1367 -30 3991 819 4912 1977 -774 1886 2177 3762 -2606 2375 -1972 2589 -212 3177 -55 916 380 -378 3718 321 1858 1553 967 204 603 -1113 946 39 289 1038 -290 1841 -830 -911 -1936 -1752 -2019 -688 -1343 -308 -44 822 48 1639 1250 609 1948 695 917 630 876 -879 167 153 136 777 708 -966 -1008 -1491 -1006 -264 -283 -369 -402 75 157 337 854 1037 444 -293 -997 -1131 -329 -359 -259 570 934 751 1869 506 133 479 -93 390 305 -10 -635 32 -16 -403 -171 6 -162 402 -54 -2206 187 -1478 -92 -900 11 -618 -62 -10 -689 40 -782 82 -673 244 -354 17 -860 -83 -243 156 -236 -419 90 -196 133 -550 -76 -790 302 -541 261 -152 -164 -4 139 103 2 218 -370 -142 -175 316 -189 123 -3 378 84 519 239 -108 283 354 637 -488 434 -376 461 -38 577 -11 216 102 -110 1022 89 519 477 345 82 252 -471 372 14 94 311 -88 611 -337 -436 -1074 -1069 -1310 -469 -985 -236 -35 646 37 1158 825 384 1233 496 758 607 887 -998 191 164 144 736 665 -991 -1100 -1718 -1129 -321 -386 -559 -650 122 245 497 1192 1441 648 -458 -1645 -1865 -519 -544 -379 797 1251 1055 2663 751 225 889 -185 811 671 -23 -1597 82 -41 -1056 -432 15 -363 857 SS 20200826T051652.9Z 7543.220057 48 1 51.82 2 78.37 71.89 130.51 160.12 0.00 1 0.00 1 0 25 1.358e-01 6.198e-03 5.049e-02 1.351e-03 5.446564e-01 7.065760e-04 5.564566e-03 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