File name: Pandora159s1_Wakkerstroom_20210812_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T032649.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Refilwe Kai 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_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20210812_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: 20210812 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 20210812T051846.7Z 7894.221373 5 1 49.13 2 81.07 68.03 114.69 100.70 0.00 1 0.00 1 0 25 4.774e-01 2.611e-02 3.365e-01 8.056e-03 7.256962e-01 4.479271e-03 7.489640e-03 -6.000000e+00 2.744196e-01 226.26 -2.00 3.06 -2.00 321.66 0.00e+00 7.878380e-03 2.273259e-03 8.345035e-03 -6.000000e+00 1.234238e-02 276.63 -2.00 20.00 -2.00 321.17 0.00e+00 6.114 0.001 302.00 328.00 3 2.5137e+00 1.5654e-02 7.9018e-02 -6.0000e+00 6.8162e-01 2.0110e-01 2.2843e-02 7.8538e-02 -6.0000e+00 7.4419e-01 -2.5093e-01 2.4964e-02 2.4765e-02 -6.0000e+00 4.3685e-01 8.9559e-02 1.1690e-02 9.8294e-03 -6.0000e+00 1.8634e-01 1.3316e-04 -1.8300e-03 2.3065e-04 8.8275e-05 -6.0000e+00 1.3421e-02 3.2813e-03 12 9 8 11 8 0 87.07 18.60 0.52 0.00328 -0.01047 47 10 4 8 0 1045.020 15.00 18.60 15.81 21.06 21.06 16.9 876.69 900000 21721 900000 -243982 900000 -112099 900000 900000 -194466 -153803 239637 -148876 -87893 900000 51754 -103244 -68796 6855 79898 4276 -41256 27129 -60442 17279 156468 -68167 32766 -43339 -57591 36693 -6032 36428 -24292 20910 -36202 2402 666 9865 -6742 -3149 -1798 -5691 -15214 -13753 -1955 7685 5334 16994 5394 6855 9843 1128 12753 1273 8746 5157 11348 -1780 368 -5563 4475 8509 -1252 4078 5816 7423 10918 8118 1903 891 -2472 6907 3038 3855 1105 100 3699 -731 -1301 -2277 467 -985 383 -847 -1940 -2765 -4500 -408 -885 -1097 -579 -1559 -918 2049 -526 -1467 -534 -251 46 -264 714 -424 862 -46 -1168 -3039 38070 -2066 -1370 -2478 -1442 -1567 -421 601 906 1993 1093 448 -507 -2039 -1248 -780 -77 174 -462 695 1231 1272 587 614 24 689 46 538 -527 38 355 -144 -383 45 402 -862 -105 900000 170 900000 -4560 900000 -880 900000 900000 -2597 -1463 1880 -1657 -712 900000 406 -2055 -1134 61 627 45 -684 229 -1238 177 1228 -1782 327 -895 -1384 396 -121 594 -834 497 -1442 65 20 319 -311 -165 -105 -370 -1153 -1063 -138 511 377 1130 425 572 893 125 1389 168 1133 719 1530 -269 53 -839 634 1289 -238 840 1256 1569 2207 1752 484 263 -830 2197 993 1171 315 26 867 -184 -376 -789 186 -455 192 -455 -1122 -1706 -2970 -266 -580 -693 -342 -870 -495 1116 -331 -1088 -459 -247 50 -285 716 -385 704 -38 -1044 -2931 26141 -2222 -1615 -3310 -2133 -2463 -660 910 1305 2724 1518 656 -794 -3347 -2015 -1197 -114 249 -641 924 1571 1698 896 1064 47 1396 98 1219 -1277 96 915 -378 -1008 113 951 -1938 -226 SS 20210812T053123.3Z 7894.230131 10 1 49.37 2 78.49 66.38 112.01 99.15 0.00 1 0.00 1 0 25 2.548e-01 7.624e-03 1.448e-01 2.538e-03 5.815432e-01 1.337081e-03 5.846586e-03 -6.000000e+00 1.438461e-01 226.26 -2.00 3.06 -2.00 320.92 0.00e+00 2.320044e-03 5.620842e-04 1.737935e-03 -6.000000e+00 6.480600e-03 276.63 -2.00 20.00 -2.00 320.38 0.00e+00 4.853 0.001 302.00 328.00 3 2.0179e+00 4.2204e-03 4.8587e-02 -6.0000e+00 3.5748e-01 -5.8028e-03 5.5916e-03 3.0407e-02 -6.0000e+00 3.8948e-01 -2.1676e-02 5.7492e-03 1.4176e-02 -6.0000e+00 2.3096e-01 8.7538e-04 2.8296e-03 4.9182e-03 -6.0000e+00 9.7910e-02 7.1484e-04 -8.5303e-04 7.3122e-05 5.1074e-05 -6.0000e+00 6.8210e-03 2.9346e-03 11 8 0 10 0 0 58.66 18.60 0.27 0.00293 -0.00348 135 29 4 8 0 365.630 15.00 18.60 16.73 21.06 21.06 16.9 880.81 160833 -53903 -32646 -85874 -76012 -27979 -83752 20 -107549 900000 -115199 -660 -52088 28948 -33127 6135 -18272 -9424 10292 -27062 17919 -28425 27975 -32894 8179 -35075 -3589 -9671 9652 -18295 10421 13779 -5966 2872 -15769 10821 -14488 2950 -8327 2925 -6146 2868 -1925 640 -1458 63 2483 280 1842 -657 7128 -2076 4447 -159 3470 1208 1626 332 -547 2569 -1072 3582 769 3701 -997 3503 -68 2800 1567 882 77 -531 280 -339 116 -826 3427 -342 1886 -1002 153 -1717 -1535 -1300 -1060 -573 -977 -498 -748 580 103 1984 122 2349 742 818 662 184 -415 -274 -21 -562 1239 -171 -842 -1483 -184 -1270 14 -159 -237 -23 -202 493 304 1550 522 605 -877 -575 -1148 -152 -208 1 680 245 1546 1387 642 -194 352 -117 466 215 -256 -485 33 35 -576 -38 -200 194 177 398 -333 -175 -761 -564 -127 -725 0 -1552 900000 -2043 -4 -698 221 -587 87 -373 -194 189 -764 333 -844 496 -1083 211 -1362 -112 -311 253 -679 342 520 -292 137 -870 493 -869 179 -696 261 -674 309 -229 76 -180 8 307 36 245 -96 1062 -379 833 -34 752 279 385 79 -129 578 -259 912 229 1192 -351 1142 -22 917 576 376 37 -264 136 -157 49 -316 1168 -122 731 -472 83 -1077 -1048 -937 -815 -468 -784 -409 -661 487 81 1420 85 1631 582 739 639 203 -499 -328 -23 -608 1214 -172 -923 -1609 -207 -1541 18 -232 -378 -38 -336 780 452 2170 742 899 -1408 -961 -1923 -244 -321 1 965 335 2161 1868 976 -333 654 -231 952 468 -597 -1112 77 82 -1376 -87 -464 423 373 SS 20210812T053836.6Z 7894.235146 13 1 49.85 2 77.02 65.41 110.47 98.29 0.00 1 0.00 1 0 25 1.091e-01 6.324e-03 5.841e-02 1.641e-03 5.238611e-01 8.456934e-04 5.297504e-03 -6.000000e+00 6.158733e-02 226.26 -2.00 3.06 -2.00 320.55 0.00e+00 1.586284e-03 3.167293e-04 1.055541e-03 -6.000000e+00 2.678376e-03 276.63 -2.00 20.00 -2.00 320.00 0.00e+00 4.342 0.000 302.00 328.00 3 1.8103e+00 2.5571e-03 4.2918e-02 -6.0000e+00 1.5282e-01 -1.5819e-02 3.2373e-03 2.5402e-02 -6.0000e+00 1.6642e-01 -5.7230e-03 3.1405e-03 1.2347e-02 -6.0000e+00 9.8893e-02 -5.5646e-03 1.5875e-03 3.9736e-03 -6.0000e+00 4.1889e-02 1.3934e-03 -9.0091e-04 4.7383e-05 4.2439e-05 -6.0000e+00 2.9172e-03 2.9343e-03 10 0 0 10 0 0 62.05 18.60 0.26 0.00293 -0.00384 201 43 4 8 0 245.490 15.00 18.60 17.13 21.06 21.06 17.0 883.07 9478 -60610 -6228 -53187 -13321 -47840 2916 -25466 -35934 -33456 -31379 -26462 -31713 -11568 -15987 13182 -3249 3316 -6398 1175 -6171 -6615 -6317 -6630 -7440 -8111 -1135 -13072 1987 -5676 2442 -2718 5246 -4240 -3299 -1956 -3611 -2294 -3922 -831 -5109 -650 -2971 -8 -843 943 -12 -753 -381 1109 1595 539 2073 -101 1933 549 977 -703 1061 815 1950 1584 2065 1176 52 1949 532 1724 1262 1123 -274 151 -481 -152 -855 492 877 894 1946 -520 -401 -1268 -1450 -1075 -927 -965 -457 -450 -173 -3 768 1180 1523 1843 1005 903 526 312 -697 -311 -309 -250 904 236 -1310 -1075 -1077 -735 -62 -241 -231 -211 148 281 518 1148 637 557 -249 -823 -976 -169 -329 18 681 250 1197 1508 427 245 353 65 226 218 -253 -583 75 -18 -636 -198 59 -1 359 50 -715 -46 -597 -95 -467 19 -252 -442 -433 -414 -370 -567 -212 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