File name: Pandora159s1_Wakkerstroom_20220212_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T040746.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 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_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20220212_L1_smca1c3d20201207p1-8.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: 20220212 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: None First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20220212T040639.0Z 8078.171285 57 1 50.06 2 85.27 103.00 146.21 277.21 0.00 1 0.00 1 0 25 6.376e-01 6.122e-02 4.831e-01 3.950e-02 8.793427e-01 2.387893e-02 9.662522e-03 -6.000000e+00 3.879565e-01 227.72 -2.00 3.06 -2.00 322.35 0.00e+00 -2.256982e-02 1.328108e-02 2.441146e-03 -6.000000e+00 2.090636e-02 282.74 -2.00 20.00 -2.00 321.89 0.00e+00 10.261 0.006 302.00 328.00 3 1.2105e+00 9.7111e-02 9.3012e-02 -6.0000e+00 9.7743e-01 1.2373e+00 1.1353e-01 5.0169e-02 -6.0000e+00 1.0743e+00 -1.8551e+00 7.1672e-02 2.0612e-02 -6.0000e+00 6.2685e-01 7.5928e-01 3.8024e-02 1.7911e-02 -6.0000e+00 2.6209e-01 1.8276e-05 3.0453e-04 1.1874e-03 3.4110e-04 -6.0000e+00 1.8869e-02 -4.8160e-03 12 8 8 10 0 0 63.87 19.38 0.78 -0.00482 -0.00253 30 6 4 8 0 1668.440 14.99 19.38 15.22 21.69 21.58 20.0 862.87 10564 900000 -39142 900000 -74958 900000 -37412 900000 900000 900000 18328 900000 900000 -11556 900000 -56761 900000 77417 900000 900000 138687 -3850 17538 900000 900000 111468 30133 900000 -68595 8930 -68025 900000 -338 900000 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4228 6690 -347 3941 2823 4267 6884 6017 -1502 -838 3689 1253 -3773 3626 2112 5502 2729 -5208 7057 596 -954 -2892 2014 5145 2109 4396 -547 1600 -3779 167 -5371 1462 -2273 3942 -642 1746 3155 4783 -1227 -40943 -1469 -8007 10685 -10780 6341 -7265 3030 -2193 4859 -5182 6554 1433 -1657 -880 72 12884 -1150 9050 6285 6739 8108 6344 817 3354 1135 4428 -2584 -126 1028 -5552 4337 -9724 1219 -6129 6299 -2772 SS 20220212T042051.1Z 8078.181147 60 1 50.36 2 82.19 101.44 149.20 276.19 0.00 1 0.00 1 0 25 4.488e-01 7.424e-03 2.719e-01 3.304e-03 7.371062e-01 1.817345e-03 7.119474e-03 -6.000000e+00 2.554825e-01 227.72 -2.00 3.06 -2.00 321.68 0.00e+00 6.262213e-03 1.006347e-03 2.480610e-03 -6.000000e+00 1.159000e-02 282.74 -2.00 20.00 -2.00 321.17 0.00e+00 6.871 0.002 302.00 328.00 3 5.2971e-01 6.7734e-03 6.8461e-02 -6.0000e+00 6.3429e-01 1.1325e-01 1.0302e-02 4.5537e-02 -6.0000e+00 6.8933e-01 -1.0846e-01 1.1264e-02 1.9410e-02 -6.0000e+00 4.1018e-01 3.0021e-02 5.1529e-03 1.0410e-02 -6.0000e+00 1.7573e-01 5.5248e-04 -1.1935e-03 9.2240e-05 8.7003e-05 -6.0000e+00 1.2170e-02 -5.7347e-03 11 8 0 10 0 0 34.98 19.38 0.27 -0.00573 -0.01470 216 46 2 8 0 227.850 14.99 19.38 16.54 21.69 21.58 20.0 870.07 900000 -153897 112517 -118293 900000 -249333 -27745 -219443 -120266 -144457 41676 -136771 -108463 -62428 -79161 -49973 8055 15107 -44267 43479 -76637 -1232 -71690 24225 -32363 30047 -28424 -31336 -13471 -28447 14395 -48269 46923 -31170 8653 -15163 11652 -16843 4412 -2383 -5254 -559 -2535 8071 -6783 15025 -13114 13891 -3411 14723 837 9218 -26 5667 10966 995 3472 -2585 1914 -2113 5599 288 6367 -171 2696 933 2963 1843 2822 1745 -1234 2491 163 3122 -863 932 -2417 1874 -103 506 187 -87 -1964 -1416 507 -1548 340 -1948 -119 -1112 819 -750 725 367 516 673 296 565 -638 596 -178 500 -116 780 -2615 -1260 947 -892 -61 -270 -412 -467 75 185 714 810 978 498 -105 -1017 -504 -16 4 -279 412 633 781 1504 78 96 -64 309 -15 237 -310 -557 209 -94 -245 -394 146 -170 595 900000 -586 362 -381 900000 -2482 -89 -1992 -458 -761 134 -841 -667 -329 -649 -380 40 80 -467 204 -1234 -9 -1155 163 -417 220 -383 -431 -158 -433 177 -1385 618 -977 177 -391 252 -582 152 -106 -274 -30 -149 444 -445 823 -991 846 -264 1035 70 804 -3 624 1222 128 450 -355 245 -277 705 43 1025 -34 554 194 601 394 667 483 -390 794 53 918 -240 228 -575 439 -28 165 72 -39 -991 -756 283 -941 213 -1289 -77 -703 475 -414 381 202 321 491 253 557 -702 653 -184 459 -97 643 -2394 -1207 936 -965 -73 -364 -624 -758 123 293 1069 1162 1410 755 -170 -1726 -839 -25 7 -411 583 862 1023 2043 123 173 -129 661 -30 528 -745 -1414 538 -246 -644 -996 344 -373 1355 SS 20220212T042708.5Z 8078.185515 63 1 51.05 2 80.82 100.75 150.52 275.74 0.00 1 0.00 1 0 25 3.474e-01 6.626e-03 1.530e-01 1.826e-03 6.578392e-01 9.786911e-04 6.479990e-03 -6.000000e+00 1.974202e-01 227.72 -2.00 3.06 -2.00 321.31 0.00e+00 3.313597e-03 4.789019e-04 1.851831e-03 -6.000000e+00 8.751374e-03 282.74 -2.00 20.00 -2.00 320.75 0.00e+00 5.959 0.001 302.00 328.00 3 4.2283e-01 3.3772e-03 5.8559e-02 -6.0000e+00 4.9053e-01 5.6075e-02 4.7476e-03 3.6043e-02 -6.0000e+00 5.3282e-01 -4.2143e-02 4.9656e-03 1.6373e-02 -6.0000e+00 3.1740e-01 4.3582e-03 2.3567e-03 6.9483e-03 -6.0000e+00 1.3497e-01 1.3555e-03 -9.9431e-04 5.1671e-05 6.3450e-05 -6.0000e+00 9.2889e-03 -5.8832e-03 11 9 0 11 8 0 1.79 19.38 0.27 -0.00588 -0.01335 358 77 2 8 0 137.590 14.99 19.38 17.28 21.69 21.58 20.2 874.73 -183553 -100244 -114572 -139364 -64908 -97553 98307 -137785 -24306 -119698 23280 -122216 -24830 -68503 -16597 -22635 -22496 12593 -37236 -1056 -37653 10185 -31892 3947 -39238 -5344 -32124 -4994 -25691 -9501 -10650 -2750 4759 -11747 -199 -14711 2519 -11701 8077 -5701 558 -5394 -2595 -1797 706 529 1471 6042 -398 8596 2120 5736 901 2792 931 2482 895 494 1129 -296 3366 929 3035 -948 1451 609 2944 754 2503 534 87 -141 -451 783 -1120 1488 -795 2052 -306 380 -906 -500 -2275 -862 -957 -1212 -109 -863 253 -462 944 208 1535 917 1319 398 1040 239 -513 -79 -196 178 677 705 -1799 -846 -1110 -558 -434 -68 -326 -449 37 120 641 1169 983 329 121 -912 -479 -285 -24 -219 479 272 849 1794 138 316 -24 234 -88 383 -458 -365 -66 -41 -498 -112 135 -216 626 -1545 -482 -694 -970 -220 -452 175 -1202 -78 -1087 54 -1266 -137 -699 -142 -250 -284 126 -609 -14 -683 127 -578 60 -921 -95 -764 -89 -561 -192 -262 -76 143 -451 -7 -560 89 -572 401 -391 41 -454 -225 -159 62 48 136 557 -41 877 258 759 138 458 166 456 172 95 211 -55 626 196 717 -264 418 174 806 218 789 182 33 -56 -178 315 -419 487 -248 630 -108 159 -412 -259 -1321 -524 -622 -843 -79 -650 188 -333 626 130 905 559 898 317 955 253 -600 -92 -215 174 601 628 -1769 -873 -1209 -646 -550 -97 -515 -753 62 194 971 1685 1422 501 196 -1560 -810 -462 -38 -330 689 378 1126 2444 216 559 -47 484 -191 815 -1053 -883 -163 -103 -1256 -272 307 -499 1386 SS 20220212T043820.6Z 8078.193294 68 1 51.47 2 78.37 99.54 152.88 274.91 0.00 1 0.00 1 0 25 1.135e-01 5.774e-03 3.074e-02 8.644e-04 5.429995e-01 4.473218e-04 5.430053e-03 -6.000000e+00 6.451576e-02 227.72 -2.00 3.06 -2.00 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