File name: Pandora159s1_Wakkerstroom_20240721_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250129T124833.5Z 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_20240721_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: 20240721 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 20240721T051224.3Z 8968.216948 219 1 49.53 2 85.51 64.30 94.24 238.82 0.00 1 0.00 1 0 17 8.271e-01 4.233e-02 5.354e-01 3.121e-02 1.026357e+00 1.850040e-02 9.926318e-03 -6.000000e+00 4.778142e-01 225.68 -2.00 3.06 -2.00 322.54 0.00e+00 9.173191e-03 9.634033e-03 1.194069e-02 -6.000000e+00 2.123965e-02 276.74 -2.00 20.00 -2.00 322.11 0.00e+00 10.671 0.007 302.00 328.00 3 1.2875e-01 7.0490e-02 1.2464e-01 -6.0000e+00 1.1879e+00 1.6468e+00 8.7252e-02 1.1129e-01 -6.0000e+00 1.3017e+00 -1.9855e+00 6.5291e-02 3.7308e-02 -6.0000e+00 7.6801e-01 7.6576e-01 3.3079e-02 1.0291e-02 -6.0000e+00 3.2108e-01 2.5295e-05 -3.9300e-03 8.2795e-04 1.6302e-04 -6.0000e+00 2.2710e-02 1.3424e-03 0.0000e+00 12 8 8 10 0 0 22.27 18.03 0.76 0.00134 -0.02819 43 9 4 8 0 1151.760 14.96 18.03 -0.10 20.56 20.56 24.1 750.23 -68361 44858 76191 165906 -121230 900000 -100817 128730 -104885 -9907 -114331 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3658 900000 -4655 2597 8347 1429 2996 -169 2022 2026 2674 2355 5941 2961 3633 -2615 3156 2091 1401 1059 585 3793 2985 5122 5523 4136 3987 3035 5832 5232 1111 977 -920 1525 448 5329 -981 1232 1068 -206 -3391 2367 4989 989 -1537 1743 -4395 -1252 -835 256 -7833 362 -790 1719 -6064 1115 -5867 -1518 -103 -840 1832 -3097 -1085 20770 -6300 -5331 -2143 -3356 -1802 609 -386 -2474 3588 -2177 -4323 -331 2705 2555 2912 1556 1276 6188 1726 1931 3285 -815 410 -3488 4028 1587 982 840 -1687 -1028 9876 -4263 -2706 471 -4436 -2191 SS 20240721T052601.7Z 8968.226409 222 1 49.87 2 82.80 62.60 96.72 237.22 0.00 1 0.00 1 0 25 6.721e-01 9.454e-03 2.572e-01 3.585e-03 8.142165e-01 2.024512e-03 7.652969e-03 -6.000000e+00 3.822281e-01 225.68 -2.00 3.06 -2.00 321.95 0.00e+00 6.585948e-03 1.109122e-03 1.614740e-03 -6.000000e+00 1.736371e-02 276.74 -2.00 20.00 -2.00 321.49 0.00e+00 7.378 0.002 302.00 328.00 3 1.6971e-01 7.4103e-03 7.2556e-02 -6.0000e+00 9.4994e-01 2.3040e-01 1.1728e-02 4.5886e-02 -6.0000e+00 1.0374e+00 -2.2079e-01 1.3545e-02 2.2612e-02 -6.0000e+00 6.1345e-01 7.7116e-02 6.1852e-03 1.0681e-02 -6.0000e+00 2.5859e-01 4.7827e-04 -7.1309e-04 9.8986e-05 1.1148e-04 -6.0000e+00 1.8209e-02 6.5114e-04 0.0000e+00 12 8 8 10 0 0 57.63 18.02 0.31 0.00065 -0.00471 229 49 2 8 0 215.870 15.00 18.02 1.60 20.56 20.56 24.6 761.16 -226536 -237029 -212176 -244677 900000 -265101 -477 -279593 900000 -265935 -30020 -189522 900000 -161423 -69807 -15462 -86749 900000 -94872 174906 -96096 900000 -86329 93061 -78313 4891 -48008 -10761 -7299 -25475 -3993 -20889 67391 -18018 26772 -25709 16054 -29498 12973 -3705 6825 -3904 -10078 16936 1210 12821 268 19197 392 22688 -1327 10425 5557 9632 1983 5337 7029 -2000 7684 -4870 13909 1133 11978 -219 7219 3129 6254 2261 3692 3570 801 1870 -264 3916 -2208 3094 -4411 2113 879 -375 429 -1742 -2413 -1468 267 -2022 -18 -1094 1125 -1547 1427 138 707 225 -285 246 621 223 -953 439 -694 861 -595 562 -2753 -1154 -158 -1166 -719 -575 -409 -718 69 -177 1039 685 1502 411 258 -682 -48 432 38 54 170 412 1062 2072 -277 380 -238 196 -97 335 -432 -414 322 -65 -415 -290 228 -331 597 -1079 -1505 -1145 -1787 900000 -2189 -2 -3285 900000 -3293 -105 -1444 900000 -1743 -399 -70 -854 900000 -1265 611 -1404 900000 -1206 325 -1194 38 -579 -98 -66 -320 -52 -365 636 -389 393 -580 265 -927 330 -133 249 -172 -502 667 57 562 14 884 24 1203 -102 811 505 921 218 593 788 -243 817 -578 1431 149 1654 -39 1286 579 1134 452 824 847 214 512 -72 1038 -560 667 -979 464 228 -120 148 -710 -1089 -697 133 -1092 -10 -628 626 -846 706 65 327 112 -165 168 496 207 -977 443 -657 709 -450 423 -2298 -1000 -144 -1159 -796 -728 -582 -1098 106 -265 1465 937 2068 600 399 -1092 -74 630 54 73 223 521 1297 2683 -426 669 -469 412 -216 801 -1115 -1118 879 -179 -1143 -758 551 -747 1290 SS 20240721T053159.7Z 8968.230552 225 1 49.46 2 81.63 61.83 97.79 236.49 0.00 1 0.00 1 0 25 4.419e-01 7.228e-03 1.806e-01 2.056e-03 7.318372e-01 1.113387e-03 6.992629e-03 -6.000000e+00 2.486376e-01 225.68 -2.00 3.06 -2.00 321.54 0.00e+00 5.238048e-03 5.652370e-04 2.602402e-03 -6.000000e+00 1.141954e-02 276.74 -2.00 20.00 -2.00 321.07 0.00e+00 6.474 0.002 302.00 328.00 3 1.3026e-01 3.8415e-03 6.5070e-02 -6.0000e+00 6.1606e-01 1.2042e-01 5.7518e-03 4.3232e-02 -6.0000e+00 6.7168e-01 -7.3826e-02 6.5063e-03 1.8875e-02 -6.0000e+00 3.9969e-01 1.4899e-02 3.0393e-03 8.8883e-03 -6.0000e+00 1.7177e-01 1.0947e-03 -6.6829e-04 5.6123e-05 7.6936e-05 -6.0000e+00 1.1900e-02 8.2730e-04 0.0000e+00 11 8 0 10 0 0 85.60 18.01 0.25 0.00083 -0.00419 351 75 2 8 0 140.510 14.95 18.01 2.63 20.56 20.56 24.9 765.75 900000 -231999 900000 -225381 -69244 -194597 -129431 -145525 -52162 -95057 -109617 900000 -127936 58986 -96925 -24648 -83207 10883 -56144 -21506 -18786 -39200 -22711 -36631 1858 -44565 4376 -37206 16279 -33915 10142 -21192 13557 -7836 -9128 2683 -8637 9244 -6927 8140 -10112 3744 -2996 5138 -7079 3507 -484 258 3169 2423 7621 1427 6665 923 3563 -282 2204 -1130 2480 550 3215 3237 2252 3947 1193 5675 773 4032 1536 1809 -901 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