File name: Pandora159s1_Wakkerstroom_20240503_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250129T121339.2Z 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_20240503_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: 20240503 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 20240503T045200.1Z 8889.202779 181 1 49.18 2 85.39 69.54 20.37 44.54 0.00 1 0.00 1 0 25 8.582e-01 6.021e-02 5.184e-01 4.852e-02 9.142737e-01 2.943141e-02 9.059778e-03 -6.000000e+00 5.042888e-01 225.39 -2.00 3.06 -2.00 322.30 0.00e+00 1.401266e-02 1.344932e-02 4.305223e-03 -6.000000e+00 2.561069e-02 279.47 -2.00 20.00 -2.00 321.83 0.00e+00 10.471 0.007 302.00 328.00 3 1.1083e+00 1.0532e-01 1.0059e-01 -6.0000e+00 1.2558e+00 1.6980e+00 1.2245e-01 6.5337e-02 -6.0000e+00 1.3837e+00 -2.1336e+00 7.8882e-02 2.1593e-02 -6.0000e+00 8.0890e-01 8.3505e-01 4.3607e-02 1.2460e-02 -6.0000e+00 3.4397e-01 1.2512e-05 -2.6725e-03 1.4051e-03 1.2131e-04 -6.0000e+00 2.5030e-02 -5.7743e-03 0.0000e+00 12 8 8 10 0 0 85.92 18.98 1.27 -0.00577 -0.02586 22 5 4 8 0 2234.710 14.99 18.98 11.24 21.27 21.17 25.9 807.81 900000 48811 77405 110430 900000 900000 -42101 125048 -75725 900000 18329 900000 21906 900000 900000 900000 900000 53405 -65171 69716 -29055 132061 900000 900000 233794 -53811 900000 -27323 293777 900000 900000 -3965 900000 -21492 900000 900000 900000 900000 6990 16949 89664 168484 81319 240630 15070 89395 68244 96839 900000 91568 6247 900000 -3603 124617 78334 900000 188081 -6541 180503 87846 55141 -25917 596697 -26876 -19978 60589 12560 85314 38224 22961 -4640 25854 58128 7074 -10166 -49226 59433 15030 -43607 23126 19359 9108 -12188 4898 -2577 7753 -1458 3799 8731 -15477 757 -6442 -14536 22591 3292 1169 -2000 18015 -3378 13957 3727 -9031 -3601 16489 -17495 -14479 -1437 4673 -7773 4515 4028 135 -1426 -5732 4034 4899 1044 -2724 -3672 729 -320 -33 3095 -520 3354 6267 -689 8911 -1611 2518 -1623 1906 -2614 3077 -1554 -1288 -544 -1087 1672 80 2952 -1390 -1991 900000 3605 4073 5201 900000 900000 -3459 5889 -7477 900000 863 900000 1032 900000 900000 900000 900000 3100 -11896 3283 -3177 6219 900000 900000 11010 -5050 900000 -1676 13835 900000 900000 -286 900000 -2068 900000 900000 900000 900000 506 1226 4223 7935 3830 11332 1155 4210 3214 4561 900000 4312 634 900000 -465 5869 4845 900000 8857 -856 8501 4137 3514 -3967 28101 -5368 -3999 5471 1788 6209 4823 3797 -1083 4555 7204 1308 -1965 -12330 4850 1969 -11774 3971 4082 2437 -4415 1591 -942 2707 -581 1467 3177 -6873 268 -2314 -5568 6431 1316 569 -1201 10407 -2676 9458 2641 -6427 -2175 8069 -12682 -10824 -1009 3367 -7126 4275 4413 167 -1858 -7733 4804 5631 1268 -3629 -5244 1029 -445 -43 3792 -644 3920 6921 -796 10006 -2346 4143 -3126 3871 -5955 7132 -4031 -3507 -1497 -3059 4546 211 7008 -3163 -4339 SS 20240503T050602.2Z 8889.212526 184 1 49.47 2 82.49 67.80 18.43 36.24 0.00 1 0.00 1 0 25 5.126e-01 1.021e-02 2.705e-01 3.867e-03 7.446710e-01 2.103677e-03 7.098721e-03 -6.000000e+00 2.882789e-01 225.39 -2.00 3.06 -2.00 321.73 0.00e+00 7.588763e-03 1.140095e-03 3.293621e-03 -6.000000e+00 1.272557e-02 279.47 -2.00 20.00 -2.00 321.24 0.00e+00 7.113 0.002 302.00 328.00 3 6.1515e-01 7.6640e-03 7.1868e-02 -6.0000e+00 7.1322e-01 1.8930e-01 1.1536e-02 5.1015e-02 -6.0000e+00 7.7686e-01 -1.8080e-01 1.2764e-02 1.9651e-02 -6.0000e+00 4.6272e-01 5.6258e-02 5.8855e-03 1.1773e-02 -6.0000e+00 1.9680e-01 4.1184e-04 -9.8717e-04 1.0709e-04 9.1561e-05 -6.0000e+00 1.3698e-02 -6.1848e-03 0.0000e+00 12 9 8 11 8 0 3.84 18.98 0.29 -0.00618 -0.01360 180 39 4 8 0 274.750 15.00 18.98 12.62 21.27 21.17 26.1 815.91 -281043 -128628 -131174 -154069 -167436 -176574 -197560 -79680 -164762 -99545 68701 -163611 -84306 -72737 -42143 -46979 -47841 -62966 -43870 -92840 -29058 -32697 -62496 30285 -58437 -19049 -15072 2279 -38463 -544 -13389 19517 -10866 -17620 -8561 12237 2611 -8677 6056 -2483 525 -293 1385 -1555 2122 587 16949 1208 4172 7968 6843 5558 8380 9899 -385 4721 -2399 3149 1203 3070 1817 1216 3127 6841 4735 3824 5502 1136 2405 460 2493 -204 790 -223 616 -264 -192 -276 39 819 27 -124 -2932 -1044 -2098 -799 -2349 -223 -398 -216 828 -306 682 15 846 -486 431 111 -200 -249 135 -251 601 -258 -2538 -1401 8417 -894 -1037 -640 -675 -323 -484 63 257 1193 795 629 -210 -715 -583 -223 199 -290 535 -88 1092 871 -187 -228 44 244 286 330 -244 -220 189 197 -660 5 53 37 -30 -3792 -485 -540 -782 -900 -1018 -1495 -300 -1140 -390 259 -1516 -480 -503 -282 -406 -484 -828 -527 -1892 -329 -383 -1013 217 -1056 -247 -193 24 -628 -7 -241 316 -275 -510 -222 257 66 -291 215 -113 26 -16 78 -94 127 37 955 83 298 598 583 540 876 1105 -50 614 -341 423 160 397 247 186 542 1306 979 791 1123 252 590 133 774 -67 254 -68 169 -66 -46 -68 11 274 11 -56 -1497 -556 -1202 -481 -1509 -144 -256 -134 474 -168 359 8 534 -362 370 109 -216 -270 137 -229 496 -215 -2316 -1337 7741 -961 -1231 -856 -1006 -509 -771 98 378 1684 1138 942 -334 -1182 -944 -345 297 -422 751 -119 1432 1201 -297 -411 86 509 633 768 -610 -575 502 531 -1784 13 129 85 -68 SS 20240503T051251.2Z 8889.217260 187 1 49.46 2 81.09 66.93 17.62 31.63 0.00 1 0.00 1 0 25 3.371e-01 6.639e-03 1.298e-01 1.970e-03 6.513473e-01 1.054255e-03 6.345513e-03 -6.000000e+00 1.895781e-01 225.39 -2.00 3.06 -2.00 321.31 0.00e+00 3.866949e-03 5.104117e-04 1.366862e-03 -6.000000e+00 8.368586e-03 279.47 -2.00 20.00 -2.00 320.77 0.00e+00 6.126 0.001 302.00 328.00 3 4.8957e-01 3.5765e-03 5.8785e-02 -6.0000e+00 4.6903e-01 5.4645e-02 5.0180e-03 3.3975e-02 -6.0000e+00 5.1088e-01 -3.0986e-02 5.3560e-03 1.6344e-02 -6.0000e+00 3.0429e-01 -1.1936e-03 2.5509e-03 7.4719e-03 -6.0000e+00 1.2942e-01 1.1317e-03 -5.9224e-04 5.5871e-05 6.7649e-05 -6.0000e+00 9.0084e-03 -6.1934e-03 0.0000e+00 11 8 0 10 0 0 40.20 18.98 0.29 -0.00619 -0.01064 327 70 2 8 0 150.740 15.00 18.98 13.56 21.27 21.17 26.3 820.43 -165928 -126582 -143281 -87594 -154999 -45755 -128283 -47458 -106777 -31938 -83687 -62476 -59055 -31531 -29271 -33224 -27463 -24657 -30761 -41601 -7805 -28487 -28463 -16056 -16462 -10587 -6793 -14325 -27589 -6980 -10338 -475 -9762 547 -8488 1375 -11176 2857 -4470 -4886 -5314 -2682 -578 632 4431 -2208 5529 -1635 5818 1581 4623 3143 3839 2101 1954 1911 -1616 996 -134 1988 1280 3653 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