File name: Pandora159s1_Wakkerstroom_20240222_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240223T084335.9Z 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 v1.8.59 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20240222_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: 20240222 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 20240222T042735.7Z 8818.185830 155 1 50.07 2 82.05 97.62 124.56 280.59 0.00 1 0.00 1 0 25 7.624e-01 4.008e-02 4.342e-01 2.167e-02 7.058883e-01 1.228035e-02 9.697086e-03 -6.000000e+00 4.441085e-01 227.63 -2.00 3.06 -2.00 321.70 0.00e+00 4.216640e-02 6.544937e-03 7.527668e-04 -6.000000e+00 2.295360e-02 282.58 -2.00 20.00 -2.00 321.17 0.00e+00 6.765 0.002 302.00 328.00 3 3.1257e+00 4.4371e-02 7.3571e-02 -6.0000e+00 1.1049e+00 6.8306e-01 5.8648e-02 7.2136e-02 -6.0000e+00 1.2065e+00 -7.1924e-01 5.2657e-02 2.6855e-02 -6.0000e+00 7.0752e-01 2.8156e-01 2.4841e-02 3.9702e-02 -6.0000e+00 3.0257e-01 3.5252e-05 -2.8458e-03 6.1794e-04 4.1056e-04 -6.0000e+00 2.1252e-02 1.4592e-02 12 8 8 10 0 0 99.32 19.75 0.91 0.01459 -0.00679 23 5 4 8 0 2176.300 15.00 19.75 21.81 21.79 22.09 28.0 866.50 -223753 900000 900000 900000 -124240 900000 900000 -122598 900000 -207171 900000 46633 -98447 215003 -56250 523191 19340 3595 14614 -25874 -71310 900000 30013 900000 900000 163984 -25266 174241 -65132 900000 -18763 167997 900000 170652 191758 16414 -47010 -7655 162981 105163 110178 -47496 68945 -13178 62930 31711 55081 93152 34454 68299 40470 61064 44321 9419 18199 -4680 -2031 23752 48145 32529 -17649 12860 24852 24810 22587 9724 31900 14930 15604 12375 -453 -1182 -5402 -2564 -991 1344 -7579 12174 -2345 4853 -225 5923 -7019 -1526 3098 -4757 292 1382 -5111 373 -5059 1645 321 -111 2375 -1958 -563 -2421 799 -2586 -2380 560 520 -3372 -2278 -2599 -4265 991 -1053 -1948 -1695 367 -278 1814 4444 -1069 -2241 -1463 236 -54 3008 -1486 2448 728 1177 2624 3370 1155 2958 829 692 1177 -1473 386 -1248 -2736 -1960 11293 -2795 531 -1222 -1133 -1917 -13068 900000 900000 900000 -3088 900000 900000 -2585 900000 -6160 900000 983 -2076 4533 -1419 11032 408 86 339 -913 -3790 900000 633 900000 900000 3458 -533 3674 -2330 900000 -705 3542 900000 3598 4043 603 -3270 -399 3436 2217 2346 -4910 2521 -1149 2839 2085 3106 3881 2679 4065 3429 4666 4241 1315 2336 -726 -298 2625 4109 3312 -3174 1973 3969 4530 4503 2161 5607 3142 3552 3286 -147 -392 -1814 -777 -267 320 -1856 2585 -666 1562 -89 2518 -3643 -788 1609 -2813 173 834 -3290 221 -2938 833 158 -57 1362 -1384 -464 -2368 830 -2798 -2400 490 411 -2747 -1953 -2378 -4179 996 -1198 -2528 -2439 550 -420 2599 5898 -1446 -3116 -2132 360 -85 4561 -2260 3431 1008 1558 3317 4114 1511 4358 1422 1307 2351 -3177 866 -3021 -7040 -5093 26159 -7399 1310 -2880 -2495 -4089 SS 20240222T044456.6Z 8818.197877 160 1 51.37 2 78.22 95.70 128.19 279.06 0.00 1 0.00 1 0 25 1.167e-01 5.775e-03 3.675e-02 1.142e-03 5.363709e-01 5.899500e-04 5.365855e-03 -6.000000e+00 6.614196e-02 227.62 -2.00 3.06 -2.00 320.59 0.00e+00 2.385029e-03 2.301485e-04 8.659812e-04 -6.000000e+00 2.934062e-03 282.58 -2.00 20.00 -2.00 319.96 0.00e+00 4.750 0.001 302.00 328.00 3 8.7305e-01 1.8306e-03 4.5992e-02 -6.0000e+00 1.6431e-01 2.9241e-02 2.3377e-03 2.6161e-02 -6.0000e+00 1.7866e-01 -2.0497e-02 2.2111e-03 1.2380e-02 -6.0000e+00 1.0642e-01 -1.7245e-03 1.1057e-03 4.7923e-03 -6.0000e+00 4.5117e-02 2.5157e-03 -8.7106e-04 3.2377e-05 4.4033e-05 -6.0000e+00 3.1226e-03 1.2990e-02 10 0 0 10 0 0 54.36 19.74 0.23 0.01299 0.00644 378 81 2 8 0 130.700 15.00 19.74 22.91 21.79 22.09 28.3 873.43 -40997 -44325 -34017 -25406 -46340 -48533 -46353 -16784 -39983 -34103 -40014 -12320 -22799 -12367 -14085 -12670 -6296 -4239 -3731 -6953 -4758 -8628 -1103 -9843 -4785 -7090 -3985 -6877 -3144 523 919 1959 -808 -1834 -3701 2224 -4256 1508 -2820 -1280 -2681 -1072 -1998 -1396 -334 -571 -250 -279 226 160 1981 533 2325 776 1084 840 -342 -362 418 804 1504 1635 1749 1471 -250 1786 793 1294 1776 388 152 -174 -226 -446 -193 266 400 653 1059 -619 -431 -1450 -1806 -830 -1003 -587 -443 -456 -72 173 834 738 914 1730 897 685 769 348 -562 -326 -213 -37 927 415 -1485 -1001 -788 -694 2 -237 -424 -307 -102 265 459 1168 775 524 -181 -653 -743 -81 -163 -56 542 276 1286 1464 187 165 23 59 117 229 -273 -496 127 -97 -482 -99 -10 44 352 -338 -434 -318 -209 -434 -459 -470 -146 -494 -425 -553 -145 -371 -229 -297 -308 -159 -115 -108 -220 -151 -287 -36 -378 -189 -301 -165 -284 -123 21 43 106 -51 -124 -243 138 -312 126 -301 -159 -377 -159 -312 -222 -53 -93 -41 -47 39 29 393 119 556 203 297 240 -101 -107 119 226 437 523 631 588 -105 703 305 507 767 195 84 -92 -128 -240 -95 117 163 267 479 -334 -269 -944 -1279 -615 -796 -495 -393 -416 -65 149 665 545 699 1340 713 625 802 412 -722 -413 -250 -39 902 416 -1642 -1163 -961 -899 2 -367 -661 -497 -163 432 700 1687 1132 805 -299 -1131 -1284 -135 -262 -87 798 390 1731 2041 294 290 40 109 224 463 -591 -1129 294 -229 -1141 -224 -21 89 695 SS 20240222T045150.4Z 8818.202666 163 1 52.15 2 76.70 94.94 129.64 278.45 0.00 1 0.00 1 0 25 6.524e-02 5.924e-03 1.750e-02 7.778e-04 4.851578e-01 3.943877e-04 4.868052e-03 -6.000000e+00 3.697184e-02 227.62 -2.00 3.06 -2.00 320.18 0.00e+00 1.589582e-03 1.353446e-04 5.475809e-04 -6.000000e+00 1.640053e-03 282.58 -2.00 20.00 -2.00 319.52 0.00e+00 4.242 0.000 302.00 328.00 3 6.6385e-01 1.1697e-03 4.0947e-02 -6.0000e+00 9.1845e-02 2.0689e-02 1.4419e-03 2.2738e-02 -6.0000e+00 9.9865e-02 -7.4721e-03 1.2811e-03 1.1066e-02 -6.0000e+00 5.9487e-02 -6.7317e-03 6.5730e-04 3.7565e-03 -6.0000e+00 2.5220e-02 4.8791e-03 -7.3880e-04 2.2109e-05 3.5894e-05 -6.0000e+00 1.7454e-03 1.2814e-02 10 0 0 10 0 0 81.29 19.74 0.24 0.01281 0.00726 611 131 2 8 0 80.830 14.99 19.74 23.78 21.79 22.09 28.4 877.58 -35335 -25225 -20978 -22933 -17874 -22297 -15823 -23355 -4817 -22006 -10514 -16117 -7964 -9958 -5809 -5599 -3660 -2594 -1244 -907 -4743 -630 -898 -1032 -3948 -2718 -5946 -1948 -2948 1256 779 1564 2210 -2353 -191 -1330 475 -614 -374 -2212 -1963 -2884 -1948 -1773 -776 -865 -168 -13 -603 1517 904 1455 866 893 631 1054 -191 124 186 727 1776 1644 1543 831 -19 990 851 1195 1827 377 41 -221 -294 -207 -168 680 217 1127 696 -211 -632 -1087 -2034 -774 -1015 -899 -459 -420 51 -37 918 611 1298 1719 1167 617 847 129 -644 -441 -352 60 946 415 -1353 -777 -646 -689 -97 -195 -341 -365 -9 264 517 1188 786 465 -13 -844 -778 -149 -124 -141 526 98 1209 1490 320 209 -17 55 -19 357 -357 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