File name: Pandora159s1_Wakkerstroom_20240705_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240705T220818.5Z 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_20240705_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: 20240705 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 20240705T051649.4Z 8952.220017 47 1 49.70 2 85.53 61.52 82.56 51.96 0.00 1 0.00 1 0 46 6.942e-01 3.890e-02 4.803e-01 2.488e-02 9.902559e-01 1.533638e-02 1.190309e-02 -6.000000e+00 4.055380e-01 225.22 -2.00 3.06 -2.00 322.57 0.00e+00 -1.591993e-02 9.102775e-03 1.116890e-02 -6.000000e+00 2.137969e-02 276.94 -2.00 20.00 -2.00 322.15 0.00e+00 10.700 0.007 302.00 328.00 3 8.0531e-02 6.1966e-02 1.0720e-01 -6.0000e+00 1.0064e+00 1.2530e+00 8.4164e-02 6.7754e-02 -6.0000e+00 1.1053e+00 -1.6751e+00 7.3673e-02 4.7504e-02 -6.0000e+00 6.5347e-01 6.5341e-01 3.4518e-02 2.2179e-02 -6.0000e+00 2.7676e-01 3.3727e-05 -2.6036e-03 7.1996e-04 4.2303e-04 -6.0000e+00 1.9835e-02 1.4233e-02 12 9 8 11 8 0 24.98 18.30 0.69 0.01423 -0.00533 49 11 4 8 0 1014.100 15.00 18.30 8.04 20.77 20.77 25.6 792.82 51457 49707 900000 900000 -35354 900000 -150158 42677 -143508 900000 -143064 150639 900000 900000 -35410 92075 900000 18040 900000 900000 900000 -72220 900000 -75394 900000 -22062 900000 -45915 900000 900000 -3670 3985 74101 900000 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2876 2164 -817 1660 4303 4816 2069 4176 392 1547 -514 -65 -2264 2901 1207 506 2026 204 3331 -417 3765 1342 -1473 -171 3293 1979 1384 -1397 -356 -1342 -3923 442 -5638 -2318 -5974 1613 -5240 2437 -1010 -4176 -2226 -3683 -908 -5568 1741 -1423 4276 -3217 3958 463 3763 -4209 -2685 714 433 2294 2022 3869 -495 8224 -960 1101 -389 2521 2192 1698 3879 5635 3936 3626 -23237 -1866 7497 -651 3088 -2714 SS 20240705T053037.7Z 8952.229603 50 1 49.38 2 82.86 59.78 80.26 50.13 0.00 1 0.00 1 0 25 5.596e-01 6.855e-03 2.722e-01 3.218e-03 7.623092e-01 1.795431e-03 7.295832e-03 -6.000000e+00 3.174983e-01 225.22 -2.00 3.06 -2.00 321.85 0.00e+00 3.007906e-03 9.630049e-04 3.570683e-03 -6.000000e+00 1.476733e-02 276.94 -2.00 20.00 -2.00 321.38 0.00e+00 7.424 0.002 302.00 328.00 3 -3.0033e-02 6.4852e-03 7.3223e-02 -6.0000e+00 7.8667e-01 1.1523e-01 1.0129e-02 4.7918e-02 -6.0000e+00 8.5883e-01 -8.7557e-02 1.1694e-02 2.1948e-02 -6.0000e+00 5.0708e-01 2.2121e-02 5.3746e-03 7.2100e-03 -6.0000e+00 2.1529e-01 6.2385e-04 -1.2084e-03 9.0948e-05 8.3827e-05 -6.0000e+00 1.5314e-02 1.3521e-02 11 8 0 10 0 0 27.43 18.29 0.28 0.01352 0.00444 252 54 2 8 0 195.930 15.00 18.29 9.63 20.77 20.77 25.5 800.02 -186592 -272275 900000 -231095 900000 -227004 900000 -39880 -151552 900000 -174049 -90973 -131662 12673 -109590 254675 -70437 25791 -69204 119222 -45191 -1713 20472 -40614 -22378 -69322 -7738 -45359 -29382 -28824 7767 -20113 38816 -31336 9088 -1439 2689 6837 -11148 -4575 -12334 -412 -8099 6726 -8343 2885 -5178 8159 3217 9214 2669 5374 10702 83 5858 1955 3599 797 3047 -1957 8420 3650 3912 2643 1869 3973 506 3671 268 2532 -1257 625 -340 1465 -2459 1560 873 -1391 2130 -1894 1035 -2134 -1874 -1780 -69 -1038 -565 -623 -357 145 753 1304 -148 1069 -544 360 493 614 -661 -80 -49 323 1421 521 -1347 -1371 -109 -938 -150 -547 -238 -532 179 160 875 1025 983 488 -249 -779 -847 186 -333 143 207 -25 1173 1614 179 48 -153 107 253 87 -133 -542 242 -216 -281 -171 104 116 365 -585 -2406 900000 -1449 900000 -1294 900000 -125 -665 900000 -1146 -314 -908 40 -969 799 -663 105 -730 374 -453 -11 116 -471 -239 -1146 -78 -654 -369 -407 95 -367 511 -813 168 -27 54 162 -394 -183 -605 -19 -439 324 -478 153 -310 454 202 599 211 470 989 9 668 244 457 103 374 -249 1006 513 637 498 378 780 103 768 66 645 -366 186 -100 430 -680 372 199 -339 580 -649 374 -916 -882 -891 -36 -586 -333 -377 -214 83 399 648 -79 602 -328 253 404 580 -688 -82 -47 274 1087 407 -1152 -1239 -103 -963 -170 -709 -345 -824 278 240 1242 1401 1360 712 -387 -1256 -1336 277 -477 198 276 -32 1454 2116 275 84 -297 222 557 205 -336 -1448 654 -593 -768 -447 252 263 797 SS 20240705T053637.0Z 8952.233762 53 1 49.39 2 81.71 59.00 79.28 49.30 0.00 1 0.00 1 0 25 3.237e-01 5.956e-03 1.654e-01 1.916e-03 6.864280e-01 1.028580e-03 6.739209e-03 -6.000000e+00 1.817416e-01 225.22 -2.00 3.06 -2.00 321.44 0.00e+00 2.670437e-03 5.020750e-04 2.602265e-03 -6.000000e+00 7.948072e-03 276.94 -2.00 20.00 -2.00 320.93 0.00e+00 6.530 0.002 302.00 328.00 3 -6.7465e-02 3.4744e-03 6.3546e-02 -6.0000e+00 4.4984e-01 7.3663e-02 5.0322e-03 3.8921e-02 -6.0000e+00 4.9046e-01 -2.9735e-02 5.6154e-03 1.7897e-02 -6.0000e+00 2.9174e-01 -2.3549e-03 2.6582e-03 6.1570e-03 -6.0000e+00 1.2367e-01 1.3834e-03 -9.8013e-04 5.3281e-05 6.7447e-05 -6.0000e+00 8.6536e-03 1.3261e-02 10 0 0 10 0 0 32.47 18.29 0.28 0.01326 0.00590 383 82 2 8 0 128.940 15.01 18.29 10.37 20.77 20.77 25.7 804.18 -147769 -134803 -150710 -112448 -99046 -3929 -93230 -101212 -110108 -55627 -62781 -50620 -81909 -15919 -21600 -29685 -29081 -29039 -8405 -32129 -30406 -21103 -24009 -24382 -14976 -27365 -17718 -25526 -14436 -5996 -1306 -13214 -4417 -8875 -15374 -5961 -8033 -5168 -4448 -1573 -4123 -2398 -918 -3856 398 -898 1715 1153 1772 3591 2100 1478 3889 2150 1358 2304 848 384 1327 946 1188 1877 1804 2328 347 2126 1399 1405 1003 557 205 -195 166 -112 -913 360 424 1075 593 -167 -5 -1307 -1760 -827 -1334 -946 -744 -310 59 196 755 535 1326 1591 993 431 747 229 -341 -278 16 183 1074 221 -1681 -1099 -936 -753 -76 -345 -483 -339 -52 443 655 1360 769 428 -86 -951 -657 -72 -219 -258 389 31 1387 1381 281 282 30 204 106 320 -431 -354 35 -476 -507 66 7 235 436 -690 -655 -929 -462 -333 -7 -331 -454 -617 -197 -258 -218 -627 -83 -153 -277 -310 -347 -90 -462 -443 -284 -354 -401 -246 -542 -324 -496 -254 -108 -27 -346 -124 -277 -496 -176 -272 -206 -219 -90 -275 -170 -68 -301 30 -72 138 98 158 343 229 183 521 320 217 383 147 67 222 157 205 358 396 575 92 544 358 376 303 195 79 -79 66 -42 -310 108 120 313 198 -67 -2 -715 -1059 -523 -831 -625 -516 -219 41 131 511 340 810 1016 724 338 677 239 -388 -314 17 170 992 191 -1599 -1098 -985 -850 -95 -482 -752 -556 -84 695 968 1917 1102 646 -138 -1596 -1081 -113 -331 -377 543 42 1786 1878 441 500 59 423 233 743 -1081 -860 87 -1197 -1270 171 16 531 956 SS 20240705T055241.8Z 8952.244928 58 1 50.01 2 78.68 56.83 76.71 47.00 0.00 1 0.00 1 0 25 1.061e-01 6.040e-03 2.489e-02 7.471e-04 5.388749e-01 3.818060e-04 5.379035e-03 -6.000000e+00 5.955982e-02 225.22 -2.00 3.06 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