File name: Pandora159s1_Wakkerstroom_20240311_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250129T120416.8Z 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 v1.8.70 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v7d20231113.txt Level 1 file used: Pandora159s1_Wakkerstroom_20240311_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: 20240311 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 20240311T042359.4Z 8836.183327 46 1 50.07 2 85.14 91.47 97.51 93.47 0.00 1 0.00 1 0 25 6.560e-01 4.777e-02 4.606e-01 3.401e-02 9.868798e-01 2.053025e-02 9.309312e-03 -6.000000e+00 3.778190e-01 227.39 -2.00 3.06 -2.00 322.38 0.00e+00 7.635923e-04 1.070219e-02 1.850805e-03 -6.000000e+00 1.991908e-02 282.17 -2.00 20.00 -2.00 321.92 0.00e+00 10.074 0.006 302.00 328.00 3 8.6361e-01 7.8439e-02 9.4873e-02 -6.0000e+00 9.3945e-01 1.6495e+00 9.7114e-02 5.2098e-02 -6.0000e+00 1.0270e+00 -1.9419e+00 6.7677e-02 2.3658e-02 -6.0000e+00 6.0862e-01 7.3184e-01 3.3919e-02 9.2193e-03 -6.0000e+00 2.6046e-01 1.9558e-05 -1.5168e-03 9.2460e-04 1.0636e-04 -6.0000e+00 1.8785e-02 -2.2397e-03 0.0000e+00 12 8 8 10 0 0 63.29 19.62 0.89 -0.00224 -0.01364 29 6 4 8 0 1718.350 14.99 19.62 16.73 21.69 21.98 27.9 840.70 -38492 900000 -24170 80866 900000 172464 -35026 -63503 446593 -108844 900000 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900000 2783 1784 4039 2480 2322 3034 2143 2132 -5714 1989 2949 3152 811 900000 2359 900000 3791 4761 3797 3310 -38 3819 972 -4684 3869 592 5999 4432 5857 6223 5130 2997 6199 3245 2002 3828 6064 5349 4210 -1970 2582 174 2472 3361 -4738 5357 -2811 -458 2585 1469 -5835 1984 897 -4727 7012 -71 1487 -8345 1428 -9036 1087 -2246 -7229 -708 1501 -1072 -3108 -71 22727 2947 -3184 -4407 -2161 -2657 -3761 -4056 -5750 3686 303 2191 3951 2311 5984 -493 7763 -1661 734 -5861 4720 4301 -2900 975 -5176 7314 1982 2944 807 673 -3221 3483 -5748 6127 -3190 694 -6389 SS 20240311T043748.8Z 8836.192926 49 1 49.69 2 82.08 89.88 94.59 91.86 0.00 1 0.00 1 0 25 4.995e-01 7.326e-03 2.508e-01 3.393e-03 7.279144e-01 1.868030e-03 6.983036e-03 -6.000000e+00 2.850321e-01 227.39 -2.00 3.06 -2.00 321.71 0.00e+00 4.005972e-03 1.013241e-03 2.183502e-03 -6.000000e+00 1.256561e-02 282.17 -2.00 20.00 -2.00 321.18 0.00e+00 6.788 0.002 302.00 328.00 3 7.7372e-01 6.8885e-03 6.6731e-02 -6.0000e+00 7.0804e-01 9.8643e-02 1.0241e-02 4.2050e-02 -6.0000e+00 7.7017e-01 -9.2852e-02 1.1151e-02 1.8944e-02 -6.0000e+00 4.5702e-01 2.4504e-02 5.1501e-03 8.3918e-03 -6.0000e+00 1.9318e-01 4.6940e-04 -8.6172e-04 9.5588e-05 7.6450e-05 -6.0000e+00 1.3524e-02 -3.5458e-03 0.0000e+00 11 8 0 10 0 0 12.45 19.62 0.28 -0.00355 -0.01002 189 41 4 8 0 261.460 14.99 19.62 17.94 21.69 21.88 28.0 848.07 -161917 -184603 -186482 -235258 -195097 -190106 900000 -185138 -78377 -138988 47742 -96252 -86829 1170 -79279 -51692 -78909 -45012 -66586 -19633 -23066 53660 4441 -18174 -41983 8722 20604 22690 -25463 -37340 -24359 -18046 10019 -3558 6729 -24731 -2911 -814 16076 -3258 -5567 -6867 -9266 4198 -2345 3881 -6767 3229 -722 12969 5731 6727 8079 806 3775 938 1719 -2411 1841 -4179 3596 -3052 3907 393 3786 2574 3546 4360 1955 2799 -1047 -740 -879 990 -2615 1801 1835 1891 360 508 -60 -344 -2826 -1416 -618 -929 361 -1029 1103 -350 700 714 1790 819 1040 1058 652 399 -1220 143 -457 85 469 92 -2692 -1246 611 -626 -358 -306 -674 -582 -240 -8 811 1012 1237 343 89 -905 -351 190 65 -78 110 367 1241 1476 -241 88 -47 306 91 489 -205 -363 237 -524 -450 -18 272 -17 256 -643 -999 -1122 -2264 -1174 -1086 900000 -1281 -259 -828 158 -478 -517 4 -761 -462 -973 -447 -901 -195 -244 266 38 -216 -631 92 198 210 -388 -651 -462 -396 196 -86 142 -714 -75 -25 517 -153 -303 -411 -602 246 -150 242 -486 221 -55 940 505 666 875 103 498 134 251 -365 259 -616 511 -518 714 85 838 570 775 991 512 843 -331 -243 -309 321 -797 471 453 483 107 182 -25 -154 -1428 -750 -347 -557 224 -666 695 -215 397 415 999 485 642 766 552 390 -1321 153 -457 76 378 75 -2430 -1172 596 -665 -420 -407 -1004 -921 -380 -12 1170 1401 1726 508 140 -1487 -563 290 95 -111 150 483 1567 1961 -373 155 -91 633 200 1140 -516 -961 636 -1439 -1229 -46 661 -40 563 SS 20240311T044403.9Z 8836.197267 52 1 50.90 2 80.69 89.16 93.27 91.14 0.00 1 0.00 1 0 25 2.723e-01 5.738e-03 1.517e-01 1.965e-03 6.429956e-01 1.043808e-03 6.280466e-03 -6.000000e+00 1.542507e-01 227.39 -2.00 3.06 -2.00 321.25 0.00e+00 3.292114e-03 5.006816e-04 1.254049e-03 -6.000000e+00 6.835124e-03 282.17 -2.00 20.00 -2.00 320.68 0.00e+00 5.885 0.001 302.00 328.00 3 7.1812e-01 3.5461e-03 5.7018e-02 -6.0000e+00 3.8304e-01 5.2278e-02 4.9292e-03 3.3288e-02 -6.0000e+00 4.1647e-01 -3.0999e-02 5.1484e-03 1.5814e-02 -6.0000e+00 2.4807e-01 -9.3313e-04 2.4579e-03 6.9141e-03 -6.0000e+00 1.0528e-01 1.0836e-03 -5.1520e-04 5.5417e-05 6.3638e-05 -6.0000e+00 7.2812e-03 -3.6458e-03 0.0000e+00 10 0 0 10 0 0 45.94 19.62 0.27 -0.00365 -0.00752 299 64 2 8 0 165.210 15.00 19.62 18.68 21.69 21.88 28.2 852.24 -121890 -101992 -62039 -100154 -7017 -110922 -67099 -124021 -44066 -80730 -41836 -67413 67620 -66495 -29384 352 -18327 -16851 -36226 -8201 -30865 751 -17595 -3998 -21895 -8518 -16008 -18112 -7805 -2815 -3828 -5322 3802 -9560 -1578 517 1864 -4966 5401 -3807 -574 -1149 -2812 -1597 -1261 1218 447 1181 493 3546 1918 1134 1139 2690 1016 2177 482 -1531 -371 -1234 2407 1078 2524 758 1132 1070 2373 1702 1286 288 156 -152 -512 -329 -701 621 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