File name: Pandora159s1_Wakkerstroom_20240627_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250129T124453.6Z 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_20240627_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: 20240627 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 20240627T053136.3Z 8944.230281 231 1 11.18 2 82.69 58.99 45.31 286.69 0.00 1 0.00 1 0 17 5.210e-01 3.295e-02 4.220e-01 2.375e-02 7.474792e-01 1.336510e-02 7.396629e-03 -6.000000e+00 3.027841e-01 224.99 -2.00 3.06 -2.00 321.71 0.00e+00 2.133304e-02 6.831559e-03 4.055697e-03 -6.000000e+00 1.503358e-02 277.07 -2.00 20.00 -2.00 321.23 0.00e+00 7.284 0.002 302.00 328.00 3 2.5758e+00 4.6420e-02 7.9773e-02 -6.0000e+00 7.5081e-01 6.9049e-01 6.0721e-02 7.1306e-02 -6.0000e+00 8.2576e-01 -8.8703e-01 5.6929e-02 1.8171e-02 -6.0000e+00 4.8756e-01 3.6316e-01 2.7280e-02 2.2472e-02 -6.0000e+00 2.0415e-01 4.4305e-05 -1.6780e-03 6.7135e-04 1.9259e-04 -6.0000e+00 1.4459e-02 7.3135e-04 0.0000e+00 12 9 9 12 1 1 95.72 18.43 0.90 0.00073 -0.01188 4 5 4 8 0 2231.370 15.00 18.43 6.92 20.87 20.87 25.2 785.83 -144897 900000 -70697 900000 -115690 900000 -174382 -13709 -132390 -61866 -84546 900000 -117284 900000 900000 84601 900000 110222 900000 -56603 109843 -98690 900000 125959 900000 900000 119488 169358 56953 -56747 100800 35356 126764 900000 -66563 900000 22888 59044 57711 900000 23588 78212 37943 4334 30660 85097 104607 36738 62290 103373 89030 62097 68177 3121 -18392 3195 410 28722 774 36698 13773 51012 16535 34260 -10728 10055 27412 5416 3483 18823 -58 8582 1478 2709 13318 11342 29491 -13585 4724 1903 3169 -2271 1350 2037 -8602 10420 -11767 7005 4865 1335 -2620 3434 -5342 2086 -1874 -3154 -869 -2135 -1083 -1095 -1695 -1751 10752 -2835 -1849 -1228 -7003 -954 -4642 -4838 -1769 -1944 -397 3193 -2113 2199 -476 2887 -803 2538 2203 651 1536 -1322 3583 -2573 6511 2341 1657 3152 117 1325 780 829 -797 -157 -616 -756 -1195 -252 -1564 -623 1271 -5339 900000 -1633 900000 -3097 900000 -6883 -317 -3330 -1429 -1952 900000 -3809 900000 900000 1954 900000 2545 900000 -2900 2537 -6878 900000 2909 900000 900000 2759 3911 1315 -2687 2328 1047 2927 900000 -5887 900000 854 1752 1996 900000 1377 2844 2144 351 1981 3379 3589 2549 3553 4214 4592 4588 5086 462 -3423 484 63 3271 112 3718 1830 5304 2759 5474 -2797 2112 4817 1211 873 4641 -19 2580 462 776 3123 2429 5028 -3654 1233 614 1182 -1016 632 997 -4941 5285 -7710 3937 2779 759 -1450 1688 -2764 1059 -1127 -2259 -711 -2035 -1116 -1132 -1647 -1528 7585 -2285 -1577 -1101 -6983 -968 -5376 -6352 -2506 -2930 -597 4512 -2993 2907 -656 4057 -1234 3900 3330 957 2166 -1860 4671 -3446 7839 3090 2506 5321 222 2643 1644 1847 -1905 -389 -1553 -1933 -3049 -615 -3633 -1349 2619 SS 20240627T054431.5Z 8944.239254 234 1 17.88 2 80.26 57.27 48.04 284.60 0.00 1 0.00 1 0 25 6.180e-01 2.405e-02 3.240e-01 1.224e-02 5.913120e-01 6.492292e-03 5.964389e-03 -6.000000e+00 3.503909e-01 224.99 -2.00 3.06 -2.00 321.01 0.00e+00 7.676833e-03 2.825550e-03 3.925468e-04 -6.000000e+00 1.636094e-02 277.07 -2.00 20.00 -2.00 320.50 0.00e+00 5.652 0.001 302.00 328.00 3 3.5410e+00 2.0750e-02 5.3292e-02 -6.0000e+00 8.6962e-01 1.4722e-01 2.7041e-02 2.8503e-02 -6.0000e+00 9.4969e-01 -2.3551e-01 2.6637e-02 1.5092e-02 -6.0000e+00 5.6313e-01 1.1041e-01 1.3066e-02 8.3291e-03 -6.0000e+00 2.4006e-01 8.0464e-05 -1.0217e-03 3.5579e-04 8.2479e-05 -6.0000e+00 1.7166e-02 6.3269e-04 0.0000e+00 12 9 9 12 9 1 99.34 18.43 0.55 0.00063 -0.00704 5 4 1 8 0 2978.990 14.99 18.43 7.69 20.87 20.87 25.0 788.46 -85513 -108960 900000 900000 -212751 -124971 -223473 900000 -155722 306469 211332 900000 -55114 900000 165006 286892 21343 12925 900000 -14012 105088 -19723 151533 -17436 9804 3244 134813 81186 21244 900000 31319 112447 6156 71764 -6666 46424 -9529 8095 3717 17595 20980 12942 15426 14507 31652 7432 27303 12959 25441 7032 4323 661 15881 3541 8607 8247 -2617 5971 -8476 6308 1169 -2161 -5435 1928 1748 10487 1364 88 10401 2407 1667 2051 -3663 -2042 4641 -3547 848 -2294 4281 3887 -760 -328 -4021 -1302 -1541 -121 -4250 -119 -389 538 48 2150 4968 3384 963 998 1450 466 -896 -2498 328 -164 1279 -3439 -2009 -526 -10709 938 -186 752 -265 997 -911 884 466 1201 -1217 121 -801 -268 490 1709 2365 -198 1636 -346 1959 1884 2446 1022 707 741 489 477 -1052 -156 -211 -1928 -261 319 -81 -106 -415 -1037 -1911 900000 900000 -9243 -2247 -10832 900000 -4708 3652 2518 900000 -972 900000 1966 3419 381 272 900000 -429 1252 -639 1806 -593 269 98 1607 1137 533 900000 918 1785 310 2016 -380 1567 -600 508 292 1406 1795 1275 1558 1521 2863 872 2710 1524 2755 965 670 117 2645 713 1721 1704 -610 1269 -2015 1296 264 -556 -1637 602 569 3038 422 28 3338 953 724 920 -1708 -886 1732 -1294 278 -789 1551 1662 -391 -190 -2602 -866 -1093 -90 -3450 -96 -312 415 35 1429 3078 2195 712 846 1395 510 -1062 -2990 360 -165 1177 -3368 -2077 -566 -13246 1113 -242 1066 -411 1596 -1474 1360 682 1677 -1757 180 -1272 -438 791 2649 3543 -295 2316 -482 2590 2592 3719 1734 1293 1417 974 995 -2344 -361 -495 -4654 -620 733 -177 -221 -847 SS 20240627T055811.8Z 8944.248748 242 1 48.60 2 77.73 55.38 50.96 282.55 0.00 1 0.00 1 0 25 1.777e-01 9.059e-03 2.035e-01 7.402e-03 5.157997e-01 3.826152e-03 5.180713e-03 -6.000000e+00 9.996647e-02 224.99 -2.00 3.06 -2.00 320.57 0.00e+00 4.640862e-03 1.433802e-03 1.193551e-03 -6.000000e+00 4.485940e-03 277.07 -2.00 20.00 -2.00 320.02 0.00e+00 4.574 0.001 302.00 328.00 3 3.9876e+00 1.1576e-02 4.4666e-02 -6.0000e+00 2.4788e-01 8.6926e-02 1.4539e-02 2.6972e-02 -6.0000e+00 2.7045e-01 -3.4396e-02 1.3845e-02 1.2109e-02 -6.0000e+00 1.6040e-01 3.2142e-03 7.0142e-03 6.5371e-03 -6.0000e+00 6.8215e-02 1.2586e-04 -7.4914e-04 2.1511e-04 5.1435e-05 -6.0000e+00 4.7744e-03 1.9705e-04 0.0000e+00 11 8 0 10 0 0 99.52 18.42 0.14 0.00020 -0.00543 26 6 1 8 0 1868.960 14.99 18.42 8.34 20.87 20.87 25.2 791.92 19542 -108926 900000 -63146 -44991 -82372 4410 -70557 900000 -50588 27352 4277 -16014 5683 -26881 36325 14780 30729 -18999 -9499 -14968 -21636 12757 -17231 29035 -6336 14980 6682 293 10096 24432 -10622 33138 -14285 1464 8395 7020 4309 2163 1955 -8493 2135 -5305 -1620 -485 3105 -4327 580 -527 4553 3992 2060 -1160 840 7161 3483 -958 -1290 570 -5902 2580 3394 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