File name: Pandora159s1_Wakkerstroom_20210623_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T031144.6Z 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_20210623_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: 20210623 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 20210623T051707.8Z 7844.220229 157 1 48.01 2 85.36 60.60 113.51 227.88 0.00 1 0.00 1 0 25 7.905e-01 1.012e-01 5.627e-01 7.828e-02 8.614317e-01 4.905231e-02 1.270085e-02 -6.000000e+00 4.737016e-01 224.84 -2.00 3.06 -2.00 322.14 0.00e+00 2.182887e-02 2.288749e-02 1.558517e-02 -6.000000e+00 3.443872e-02 277.16 -2.00 20.00 -2.00 321.66 0.00e+00 10.432 0.007 302.00 328.00 3 1.5296e+00 1.7181e-01 1.1132e-01 -6.0000e+00 1.1806e+00 1.8649e+00 1.9560e-01 6.5743e-02 -6.0000e+00 1.3035e+00 -1.7962e+00 1.2303e-01 2.6368e-02 -6.0000e+00 7.6130e-01 5.6017e-01 6.8207e-02 1.0023e-02 -6.0000e+00 3.2975e-01 6.9533e-06 -1.8410e-03 2.3774e-03 4.8002e-04 -6.0000e+00 2.4549e-02 3.8182e-03 12 9 8 11 8 0 90.87 18.27 2.16 0.00382 -0.01002 12 3 4 8 0 4000.000 14.99 18.27 3.75 20.77 20.77 16.0 814.76 192961 900000 -38095 900000 -55963 900000 900000 39809 900000 900000 900000 900000 900000 -87272 900000 900000 900000 -37070 900000 900000 900000 900000 900000 900000 900000 900000 -29384 900000 -43878 900000 -72881 900000 101452 900000 17412 144070 900000 900000 900000 900000 120248 900000 130487 9218 50269 -52406 900000 900000 309846 64697 900000 106060 -12592 362613 -39389 71848 91191 253489 81389 13326 138274 77168 62821 72123 143227 -47733 211635 68733 61801 4016 82877 47789 143954 11469 -21750 -55760 51979 126271 45238 103750 -3553 12450 16600 17520 -1532 14950 6146 57704 15963 49032 21727 -15971 6190 -23427 46726 -14119 35518 -21474 18032 -4603 6998 -15174 5686 -10224 4097 2996 -42796 22777 3685 10250 -11063 6847 -8062 -6362 3918 -2515 7008 5866 8107 4691 4876 4503 9886 789 11157 -3887 7054 6936 -1648 2857 -4305 1200 1580 -263 -986 1179 1286 -973 -4039 -643 -917 2467 220 14621 900000 -4284 900000 -5335 900000 900000 3016 900000 900000 900000 900000 900000 -11595 900000 900000 900000 -5080 900000 900000 900000 900000 900000 900000 900000 900000 -2226 900000 -3325 900000 -10142 900000 7687 900000 1319 10916 900000 900000 900000 900000 9111 900000 9887 948 3809 -9946 900000 900000 23477 4902 900000 8036 -2301 27475 -9769 5880 6910 19207 6167 1600 10477 5847 5980 7085 10852 -15786 16036 7312 7686 987 10105 8261 10908 2454 -5669 -17893 5425 9568 6121 9554 -1107 3788 5246 5766 -635 5527 2560 14812 6072 12908 6963 -6900 2106 -11290 13122 -8532 15667 -19151 12097 -3884 4912 -11689 3194 -6628 2455 1919 -45398 13824 3029 9083 -13755 7753 -10785 -8264 4406 -2928 7583 6781 9735 6015 6092 5383 10729 914 11378 -4481 7167 7515 -2284 4413 -8014 2302 3233 -590 -2391 2968 3305 -2598 -11115 -1639 -2193 5317 467 SS 20210623T053150.4Z 7844.230444 160 1 49.20 2 82.54 58.73 115.75 225.29 0.00 1 0.00 1 0 25 6.163e-01 1.619e-02 3.365e-01 6.895e-03 7.230574e-01 3.813112e-03 6.891005e-03 -6.000000e+00 3.522760e-01 224.84 -2.00 3.06 -2.00 321.81 0.00e+00 5.199363e-03 2.056895e-03 2.279811e-03 -6.000000e+00 1.605146e-02 277.16 -2.00 20.00 -2.00 321.34 0.00e+00 7.160 0.002 302.00 328.00 3 1.4281e+00 1.3864e-02 6.9055e-02 -6.0000e+00 8.7420e-01 1.6071e-01 2.0395e-02 4.2236e-02 -6.0000e+00 9.5601e-01 -2.6694e-01 2.2165e-02 1.9061e-02 -6.0000e+00 5.6462e-01 1.0438e-01 1.0262e-02 8.2028e-03 -6.0000e+00 2.3731e-01 1.9086e-04 -7.1724e-04 2.0108e-04 8.1321e-05 -6.0000e+00 1.6808e-02 4.0147e-03 12 8 8 10 0 0 73.20 18.27 0.34 0.00401 -0.00137 90 19 4 8 0 546.530 14.99 18.27 5.24 20.77 20.77 16.0 823.45 137768 -226117 -42375 -243382 900000 -241039 900000 -224651 -91173 900000 -108609 -119270 -144049 261435 -109751 900000 -131779 900000 -109446 126362 -68865 -3084 25891 8349 58670 -72772 69419 -66859 117887 -94126 33451 -75880 79799 14473 90650 -6228 7493 8713 -20912 32011 -8443 5513 -22116 27946 -3118 44191 5941 17353 16924 25645 16449 9556 12229 471 24330 3536 7133 1855 21415 -3339 14533 4716 14133 1333 3499 14759 3292 12005 199 4375 -3789 4938 -1361 7160 495 5230 -753 1367 5715 -1461 2489 -2235 928 -2505 1507 -1784 1495 -1343 453 144 422 2240 -1589 3394 -1788 673 -1452 697 -1712 405 -865 -481 1747 1032 -819 -1358 -8433 -1726 724 -1077 -295 -1486 220 -184 883 1291 929 624 -960 114 -621 1114 -328 1549 952 1515 1309 2462 1056 278 506 -290 669 222 390 -978 129 -389 -371 -420 -76 -183 114 926 -2961 -285 -3905 900000 -3415 900000 -3305 -613 900000 -730 -927 -1850 1756 -1713 900000 -3490 900000 -2835 849 -1293 -31 203 84 394 -1812 466 -1556 792 -3213 410 -3232 884 321 932 -161 188 257 -997 1086 -473 292 -1607 1295 -198 1845 368 1015 1056 1594 1252 874 1193 56 2451 451 901 245 2284 -446 1700 670 2111 256 697 2612 646 2273 47 1144 -1175 1469 -423 1930 129 1176 -170 313 1435 -471 906 -973 430 -1277 789 -1028 877 -833 275 84 232 1134 -818 1746 -1097 470 -1211 651 -1779 413 -839 -417 1360 816 -711 -1256 -8793 -1814 824 -1407 -424 -2292 338 -276 1253 1756 1283 908 -1498 183 -991 1671 -483 2174 1307 1995 1687 3289 1628 490 977 -600 1448 511 958 -2559 341 -1048 -996 -1089 -184 -419 253 SS 20210623T053811.2Z 7844.234852 163 1 49.69 2 81.35 57.90 116.68 224.13 0.00 1 0.00 1 0 25 3.776e-01 7.386e-03 2.082e-01 3.463e-03 6.631623e-01 1.856517e-03 6.460230e-03 -6.000000e+00 2.119374e-01 224.84 -2.00 3.06 -2.00 321.45 0.00e+00 4.735874e-03 9.114923e-04 2.262098e-03 -6.000000e+00 9.434730e-03 277.16 -2.00 20.00 -2.00 320.95 0.00e+00 6.286 0.001 302.00 328.00 3 1.1568e+00 6.3183e-03 6.1310e-02 -6.0000e+00 5.2407e-01 7.5620e-02 9.0523e-03 3.8129e-02 -6.0000e+00 5.7127e-01 -8.9288e-02 9.9039e-03 1.6904e-02 -6.0000e+00 3.4007e-01 2.2404e-02 4.6961e-03 7.5685e-03 -6.0000e+00 1.4490e-01 5.1139e-04 -9.7780e-04 9.9060e-05 6.6929e-05 -6.0000e+00 1.0239e-02 4.0092e-03 11 9 0 11 8 0 95.44 18.27 0.36 0.00401 -0.00334 161 35 4 8 0 306.690 14.99 18.27 6.00 20.77 20.77 16.2 827.35 -179721 -39136 -176329 900000 -165819 -109073 -80502 -103300 -138278 -117263 12209 -109189 -49644 -75935 -21954 -75872 -34902 -45591 11715 -30166 -19621 -20962 11190 -31564 8280 -3278 -38874 -22338 -36730 5648 -19362 19742 -7680 6070 -15718 4736 -7374 -2211 -8465 -5322 -2321 -4597 2842 -1977 8525 -2869 12125 -3239 1868 1699 2246 6062 916 7863 1945 5297 -2049 2790 -1886 2147 1098 1884 2396 1398 1814 3045 3928 523 3092 -100 740 513 175 -420 69 -461 1162 658 -175 -324 -81 -1040 -2510 -176 -1741 -420 -563 -396 545 181 1338 -428 1330 569 875 232 1079 -591 -291 -339 54 -173 1191 312 -1796 -1519 -656 -676 -628 -72 -468 -76 52 404 399 1245 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