File name: Pandora159s1_Wakkerstroom_20210507_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T025650.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: B. Scholes 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_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20210507_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: 20210507 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 20210507T050910.5Z 7797.214705 131 1 48.01 2 82.34 66.46 33.27 54.10 0.00 1 0.00 1 0 73 1.581e+00 1.809e-01 4.768e-01 8.079e-02 6.510042e-01 4.985440e-02 1.995228e-02 -6.000000e+00 9.442770e-01 225.27 -2.00 3.06 -2.00 316.30 0.00e+00 2.245407e-01 1.354307e-02 1.003504e-02 -6.000000e+00 5.209361e-02 279.28 -2.00 20.00 -2.00 315.31 0.00e+00 6.991 0.002 302.00 328.00 3 3.2208e+00 1.3903e-01 7.0390e-02 -6.0000e+00 2.3679e+00 3.1418e+00 1.5197e-01 9.1257e-02 -6.0000e+00 2.6072e+00 -3.1122e+00 8.8237e-02 3.4024e-02 -6.0000e+00 1.5007e+00 1.2504e+00 5.4587e-02 6.3589e-02 -6.0000e+00 6.3343e-01 7.7726e-06 -2.8876e-02 1.6500e-03 1.0273e-03 -6.0000e+00 4.6478e-02 5.5569e-03 12 9 8 11 8 0 -122.69 18.88 2.43 0.00556 -0.21143 12 3 4 8 0 4000.000 14.99 18.88 13.15 21.27 21.27 16.2 865.23 499059 900000 656497 900000 900000 900000 900000 900000 900000 242340 900000 900000 900000 138993 239044 541475 541427 900000 900000 900000 390773 900000 -6530 900000 107699 212088 -69251 -104639 900000 900000 576471 900000 162444 205255 900000 545641 199143 259463 114208 900000 900000 -61250 43105 -38550 900000 17617 174182 143784 143900 129657 310709 170304 64342 171127 168227 109189 19698 30138 5496 -52295 45884 11587 25056 121769 128858 65456 124079 37186 89815 59720 23437 70049 42253 65814 -887 80579 23850 -30099 31996 -19822 6529 8092 -13067 -9950 -11923 10601 -22487 -9933 -7800 10471 1020 17260 2789 -6359 -52375 -50029 -9028 -13545 -16881 -1462 23152 55810 40679 13123 -7211 -25820 -11447 -15657 -10411 -7867 -2160 -6321 1728 -2637 3052 3602 7496 -1488 5883 -6529 12033 20460 4082 17371 16096 10529 14316 3712 7642 -10133 -7485 5679 5655 -4307 -2019 -7393 2369 4725 -8414 -2109 3473 2083 814 39134 900000 51480 900000 900000 900000 900000 900000 900000 19003 900000 900000 900000 10899 18745 42461 42457 900000 900000 900000 44893 900000 -19450 900000 18890 16631 -9088 -13698 900000 900000 45205 900000 26477 29776 900000 42787 20380 20346 14525 900000 900000 -14607 3380 -7273 900000 3642 13659 16238 20215 23252 24365 19744 19889 17718 15830 14430 4308 4156 734 -11151 4371 2063 5368 13569 16591 17704 19629 12747 16697 13707 7717 14893 11120 12386 -276 9870 4443 -8752 5416 -6842 2358 3596 -7918 -6038 -7176 5027 -14784 -5954 -4781 5530 594 8150 1355 -2988 -36437 -37695 -5767 -11720 -19012 -1682 22442 37728 27843 9843 -5844 -25174 -10161 -15228 -10459 -8616 -2563 -8827 2401 -3837 4008 4413 8444 -1872 7453 -10154 16606 26149 5832 20604 18497 12172 15401 4277 8705 -15657 -13246 9988 10761 -9386 -4436 -17727 5327 10432 -21119 -5012 7654 4366 1595 SS 20210507T052811.6Z 7797.227912 139 1 49.25 2 78.50 63.97 30.09 47.60 0.00 1 0.00 1 0 25 5.006e-01 1.535e-02 3.015e-01 8.202e-03 5.313434e-01 4.317722e-03 5.356542e-03 -6.000000e+00 2.815652e-01 225.27 -2.00 3.06 -2.00 321.19 0.00e+00 2.029562e-02 1.995206e-03 4.997341e-03 -6.000000e+00 1.286817e-02 279.28 -2.00 20.00 -2.00 320.65 0.00e+00 4.859 0.001 302.00 328.00 3 3.7947e+00 1.4233e-02 6.2808e-02 -6.0000e+00 6.9757e-01 -2.4370e-02 1.8686e-02 6.4654e-02 -6.0000e+00 7.6026e-01 -1.1315e-01 1.8818e-02 1.5741e-02 -6.0000e+00 4.5183e-01 5.2585e-02 9.1897e-03 2.5188e-02 -6.0000e+00 1.9239e-01 1.2848e-04 -1.4968e-03 2.4368e-04 1.5243e-04 -6.0000e+00 1.3399e-02 3.5735e-03 12 8 8 10 0 0 95.96 18.87 0.61 0.00357 -0.00767 34 7 4 8 0 1448.170 14.99 18.87 14.83 21.27 21.27 16.5 874.92 285202 -113794 -20894 -153939 -130208 -33274 -109085 202360 -107625 900000 -124248 111604 -119953 65630 5079 7348 9116 8866 -43500 -10947 50631 1837 183666 21846 200108 -64438 42248 -16149 -11087 -24379 6649 -20809 -9429 -2402 -3255 10267 -26583 18589 10358 30021 -3387 19013 -2354 17318 4405 -12079 8001 5723 11281 -2886 12207 5081 9633 -1306 14169 -769 2680 6880 4987 3135 -3551 4358 -205 8611 -7735 6154 -5906 3353 -2044 -1180 -706 -98 -381 581 2016 959 326 -997 4635 -3256 -352 -3016 -3421 29 -638 -1234 -160 687 160 1923 568 2099 -609 4476 -1301 1872 1767 586 -512 879 521 -1108 2011 -632 2092 -1869 -6826 -845 -851 -9 48 170 -288 355 -323 1530 -424 568 -1019 -682 -1305 -129 90 -99 346 975 4044 1660 1667 -443 1067 249 1109 -444 435 -633 -237 -243 -916 2 -474 203 257 2281 -1740 -167 -3693 -2266 -266 -1419 1618 -1477 900000 -2046 892 -2878 525 65 113 158 172 -1504 -293 766 43 1469 410 1600 -2804 670 -458 -313 -889 218 -1073 -503 -127 -165 444 -1760 919 655 1792 -305 1471 -242 1550 471 -1582 907 691 1339 -416 1657 818 1580 -254 2471 -155 524 1294 941 612 -791 994 -56 2420 -2683 1799 -1879 982 -690 -452 -296 -42 -163 233 743 322 103 -321 1582 -1409 -173 -1715 -2119 18 -432 -898 -122 537 126 1442 403 1377 -387 2742 -939 1494 1636 628 -596 1011 570 -1109 1821 -595 2070 -2013 -8150 -1015 -1113 -13 74 277 -466 551 -473 2102 -599 835 -1629 -1143 -2205 -209 141 -149 508 1367 5288 2296 2578 -772 1992 494 2270 -960 996 -1540 -581 -607 -2309 5 -1109 452 555 SS 20210507T053529.6Z 7797.232982 142 1 49.29 2 77.05 62.97 28.96 44.79 0.00 1 0.00 1 0 25 1.660e-01 7.516e-03 1.837e-01 4.135e-03 4.944709e-01 2.147498e-03 4.987066e-03 -6.000000e+00 9.332464e-02 225.27 -2.00 3.06 -2.00 320.81 0.00e+00 1.403340e-02 8.820667e-04 2.923515e-03 -6.000000e+00 4.173704e-03 279.28 -2.00 20.00 -2.00 320.24 0.00e+00 4.352 0.000 302.00 328.00 3 3.3075e+00 6.7222e-03 4.8961e-02 -6.0000e+00 2.3085e-01 -4.9015e-02 8.6232e-03 4.3250e-02 -6.0000e+00 2.5146e-01 -4.4542e-02 8.4307e-03 1.4060e-02 -6.0000e+00 1.4987e-01 1.6278e-02 4.2086e-03 1.7521e-02 -6.0000e+00 6.4018e-02 3.2421e-04 -1.1623e-03 1.2204e-04 1.0947e-04 -6.0000e+00 4.4455e-03 3.2334e-03 11 9 0 11 8 0 95.46 18.87 0.38 0.00323 -0.00550 61 13 4 8 0 808.000 14.99 18.87 15.50 21.27 21.27 16.5 878.43 34265 -53847 900000 -39356 38803 103488 -28380 4498 -65872 14186 -80983 -49309 -41641 2629 -18429 -2883 -6769 16521 4303 -5070 9089 10468 11543 -19927 29538 -7223 7659 6426 -10011 7398 6037 7785 4877 -5787 -11411 3514 -11359 2420 140 -4482 -5471 -2578 -860 -3425 -574 -2504 14 443 3621 1360 2433 1687 4886 -448 2832 169 53 1063 -2008 1455 671 1552 -143 875 -1521 1632 1487 1601 1011 1117 -373 -845 413 654 -1008 412 1946 -156 1511 -820 -802 -1533 -1888 -1038 -918 -999 -470 -437 -3 922 1466 942 1105 2390 957 1228 37 487 -682 -415 24 25 1406 206 -942 -1255 1410 -1138 74 -306 -731 -529 -116 204 458 1281 673 424 -224 -1200 -1592 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