File name: Pandora159s1_Wakkerstroom_20250529_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250529T220907.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 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_v7d20231113.txt Level 1 file used: Pandora159s1_Wakkerstroom_20250529_L1_smca1c7d20231113p1-8.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: 20250529 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: new FC bc steadily increasing wrms First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0825 305.2233 305.3641 305.5049 305.6457 305.7864 305.9272 306.0679 306.2087 306.3494 306.4901 306.6308 306.7715 306.9122 307.0528 307.1935 307.3341 307.4747 307.6153 307.7560 307.8965 308.0371 308.1777 308.3183 308.4588 308.5993 308.7399 308.8804 309.0209 309.1614 309.3019 309.4423 309.5828 309.7232 309.8637 310.0041 310.1445 310.2849 310.4253 310.5657 310.7060 310.8464 310.9867 311.1270 311.2674 311.4077 311.5480 311.6882 311.8285 311.9688 312.1090 312.2493 312.3895 312.5297 312.6699 312.8101 312.9503 313.0904 313.2306 313.3708 313.5109 313.6510 313.7911 313.9312 314.0713 314.2114 314.3514 314.4915 314.6315 314.7716 314.9116 315.0516 315.1916 315.3316 315.4715 315.6115 315.7514 315.8914 316.0313 316.1712 316.3111 316.4510 316.5909 316.7307 316.8706 317.0104 317.1503 317.2901 317.4299 317.5697 317.7095 317.8493 317.9890 318.1288 318.2685 318.4082 318.5479 318.6876 318.8273 318.9670 319.1067 319.2463 319.3860 319.5256 319.6652 319.8048 319.9444 320.0840 320.2236 320.3632 320.5027 320.6422 320.7818 320.9213 321.0608 321.2003 321.3398 321.4792 321.6187 321.7581 321.8976 322.0370 322.1764 322.3158 322.4552 322.5945 322.7339 322.8732 323.0126 323.1519 323.2912 323.4305 323.5698 323.7091 323.8484 323.9876 324.1269 324.2661 324.4053 324.5445 324.6837 324.8229 324.9621 --------------------------------------------------------------------------------------- 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 20250529T050651.2Z 9280.213093 48 1 49.25 2 85.49 62.77 114.94 69.44 0.00 1 0.00 1 0 17 6.573e-01 4.200e-02 5.128e-01 3.786e-02 9.634418e-01 2.301512e-02 9.012787e-03 -6.000000e+00 3.897236e-01 224.80 -2.00 3.06 -2.00 322.50 0.00e+00 1.181179e-02 1.264758e-02 8.987704e-03 -6.000000e+00 2.060156e-02 278.11 -2.00 20.00 -2.00 322.08 0.00e+00 10.640 0.007 302.00 328.00 3 6.0825e-01 8.9906e-02 1.1869e-01 -6.0000e+00 9.7134e-01 1.6298e+00 1.0913e-01 1.0592e-01 -6.0000e+00 1.0744e+00 -1.9996e+00 8.1535e-02 2.9423e-02 -6.0000e+00 6.2321e-01 7.6002e-01 4.2280e-02 1.6540e-02 -6.0000e+00 2.6292e-01 1.7624e-05 -1.0909e-04 1.0508e-03 1.2489e-04 -6.0000e+00 1.9138e-02 -3.5413e-03 0.0000e+00 12 9 8 11 8 0 -5.06 18.97 0.89 -0.00354 -0.00436 32 7 4 8 0 1538.820 14.99 18.97 13.39 21.38 21.38 30.9 816.57 900000 900000 35302 900000 -63197 900000 -48149 900000 190794 45190 900000 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900000 -799 -10225 -847 1343 900000 900000 900000 2250 1991 1054 3988 -8854 3811 900000 1658 900000 2114 12848 5279 2924 3344 8610 618 5594 2000 3625 3189 3061 5208 2847 7240 3001 6184 6692 3674 3028 2102 3981 114 1217 4770 -1075 -784 3582 6645 3920 2213 -1406 4929 3498 3541 -1763 5779 2784 3889 -4045 2459 -4438 -592 -7308 -3409 -8044 2730 1394 -2179 2814 -1980 270 -1807 342 -5404 1035 -4856 1553 -4967 -1562 -1374 1087 -6818 -1486 2119 1839 -1934 -1423 2472 -2391 4768 -1750 4841 4067 7091 4166 -6243 -922 8629 2234 1685 590 -1903 1642 3836 3707 -7487 -1228 -972 -3910 -282 SS 20250529T052059.8Z 9280.222914 51 1 49.32 2 82.72 60.99 112.15 68.35 0.00 1 0.00 1 0 25 5.727e-01 7.010e-03 3.427e-01 4.180e-03 7.768725e-01 2.281542e-03 7.286084e-03 -6.000000e+00 3.233975e-01 224.80 -2.00 3.06 -2.00 321.81 0.00e+00 6.109522e-03 1.271449e-03 1.884310e-03 -6.000000e+00 1.469511e-02 278.11 -2.00 20.00 -2.00 321.35 0.00e+00 7.310 0.002 302.00 328.00 3 5.4290e-01 8.3891e-03 7.1038e-02 -6.0000e+00 8.0034e-01 1.2074e-01 1.3538e-02 4.4235e-02 -6.0000e+00 8.7378e-01 -1.2745e-01 1.5662e-02 2.1458e-02 -6.0000e+00 5.2022e-01 3.8468e-02 7.1093e-03 1.0278e-02 -6.0000e+00 2.2206e-01 3.8117e-04 -7.8918e-04 1.1417e-04 9.3579e-05 -6.0000e+00 1.5417e-02 -3.5413e-03 0.0000e+00 11 8 0 10 0 0 24.91 18.97 0.37 -0.00354 -0.00947 187 40 4 8 0 263.700 14.99 18.97 14.71 21.38 21.38 30.8 822.09 900000 -170821 -132726 -174700 -156338 -202035 -210087 -234558 -122592 -114183 -167928 900000 -195611 -79247 -146254 -11207 900000 53241 -75551 -72647 87657 -82185 163041 -70371 26787 -61864 -23129 20951 -20662 -38027 -14648 -52184 4080 -20623 -16412 -2462 4009 1054 19297 12451 -3641 342 -10437 1030 -5416 -4313 8474 7321 8446 1290 2332 2492 10100 2340 9932 4154 2481 2101 2260 -86 -188 2385 2685 4554 2225 1809 4992 4454 1635 1328 958 1128 -177 -1222 -2614 -2887 -1782 -299 1611 -3167 1057 407 -1320 89 180 -605 -435 -971 -246 466 1094 237 405 1234 687 1030 1477 -471 -942 -70 -140 -120 853 -256 -2126 -1264 -1106 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-2.00 3.06 -2.00 321.52 0.00e+00 3.013742e-03 6.476006e-04 2.167440e-03 -6.000000e+00 1.106727e-02 278.11 -2.00 20.00 -2.00 321.01 0.00e+00 6.431 0.002 302.00 328.00 3 4.5547e-01 4.4050e-03 6.2775e-02 -6.0000e+00 6.1832e-01 4.8655e-02 6.5049e-03 3.8554e-02 -6.0000e+00 6.7423e-01 -5.0507e-02 7.2280e-03 1.8267e-02 -6.0000e+00 4.0144e-01 1.0160e-02 3.3787e-03 7.0755e-03 -6.0000e+00 1.7189e-01 8.9373e-04 -6.0193e-04 6.5936e-05 6.9013e-05 -6.0000e+00 1.1985e-02 -3.4819e-03 0.0000e+00 11 8 0 10 0 0 16.64 18.97 0.30 -0.00348 -0.00801 302 65 2 8 0 163.640 14.99 18.97 15.21 21.38 21.38 30.8 824.50 900000 -175597 -111353 -106907 -160709 -137155 -172769 -106587 -195406 -135423 -159169 -100888 -125168 504 -62228 -11168 -35424 -51243 17419 -33970 26798 -54540 2186 -35372 -14033 -45640 -13448 -36294 -17041 -22262 -12282 1696 -5994 11169 1066 19752 -6728 8477 -9419 5426 -1326 -160 -2234 2343 3201 922 10404 -732 5637 -1541 6079 1676 5639 466 3600 2944 3202 -1593 298 2291 1430 2032 1939 3233 -252 2759 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