File name: Pandora159s1_Wakkerstroom_20240628_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20240628T220939.9Z 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_20240628_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: 20240628 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 20240628T053209.7Z 8945.230668 237 1 44.26 2 82.60 58.98 39.99 304.95 0.00 1 0.00 1 0 17 5.041e-01 2.425e-02 3.968e-01 2.040e-02 7.285391e-01 1.150930e-02 7.552176e-03 -6.000000e+00 2.901992e-01 225.02 -2.00 3.06 -2.00 321.72 0.00e+00 1.379183e-02 5.831418e-03 1.428817e-03 -6.000000e+00 1.456463e-02 277.06 -2.00 20.00 -2.00 321.24 0.00e+00 7.205 0.002 302.00 328.00 3 2.8188e+00 4.0377e-02 6.7580e-02 -6.0000e+00 7.2244e-01 5.4124e-01 5.3452e-02 3.6962e-02 -6.0000e+00 7.9226e-01 -6.5211e-01 5.1444e-02 1.9787e-02 -6.0000e+00 4.6517e-01 2.6889e-01 2.4488e-02 1.3933e-02 -6.0000e+00 1.9645e-01 3.8853e-05 -1.8531e-03 5.8989e-04 1.7864e-04 -6.0000e+00 1.4456e-02 1.3672e-02 12 8 8 10 0 0 95.46 18.31 0.49 0.01367 -0.00025 14 3 4 8 0 3161.290 14.99 18.31 5.83 20.87 20.77 25.1 779.79 -60267 -214124 -163105 -77927 900000 -161987 -104902 900000 -121516 900000 -158738 900000 900000 900000 900000 128534 4951 44673 900000 -49450 -70170 900000 67772 212092 900000 -60543 2357 -15082 179455 900000 900000 84409 28264 900000 -15770 7962 51062 900000 -1933 46253 -1131 18872 28361 7458 86198 -3512 9047 20350 78299 26913 21882 20567 35437 9742 13238 2367 15251 45550 -16423 28692 29972 14576 -8993 7319 14476 20431 20993 16714 24614 5141 19124 -7106 9902 -5163 5962 -5261 3537 -8946 1215 3129 -4880 5249 1266 -5021 -3079 3463 -5637 385 -2026 -4255 -4236 -719 1884 -2011 -1471 -1502 1802 -3412 1109 753 -2434 -1999 3401 -1124 -3305 -3774 -870 -822 -2449 923 -2535 1446 -1368 -541 562 1128 -570 1207 -579 1918 314 1161 358 1026 3466 639 2565 3119 98 -763 431 1030 20 363 -162 -286 816 -335 -1852 -361 139 -1 -338 -1196 -9925 -4827 -1546 900000 -3665 -2081 900000 -2411 900000 -3782 900000 900000 900000 900000 2550 98 886 900000 -1707 -2921 900000 1345 4208 900000 -2247 48 -352 3561 900000 900000 1675 856 900000 -719 281 1275 900000 -109 1880 -79 1154 1664 551 3063 -304 717 1512 3520 2113 1994 2101 3404 1278 1746 353 2013 4390 -2773 3111 3353 2110 -1875 1476 2871 3762 3797 3265 4934 1423 5033 -2469 2858 -1603 1504 -1325 776 -2301 325 986 -1946 2170 592 -2640 -1679 1883 -3508 232 -1244 -2563 -2385 -367 913 -1063 -880 -1055 1435 -3290 1113 759 -2364 -1730 2543 -884 -2843 -3464 -820 -831 -2794 1153 -3647 2127 -2083 -795 778 1494 -778 1701 -881 2947 481 1691 504 1396 4457 815 3124 3994 148 -1314 809 2045 41 811 -388 -718 2060 -864 -4827 -888 319 -2 -705 SS 20240628T055310.2Z 8945.245257 243 1 49.38 2 78.66 56.15 43.92 299.96 0.00 1 0.00 1 0 25 1.106e-01 6.019e-03 5.316e-02 1.536e-03 5.397672e-01 7.839778e-04 5.388809e-03 -6.000000e+00 6.206541e-02 225.02 -2.00 3.06 -2.00 320.58 0.00e+00 1.824688e-03 2.984258e-04 9.856775e-04 -6.000000e+00 2.717706e-03 277.05 -2.00 20.00 -2.00 320.04 0.00e+00 4.921 0.001 302.00 328.00 3 1.2648e+00 2.3792e-03 4.7001e-02 -6.0000e+00 1.5355e-01 4.5396e-02 3.0384e-03 2.5947e-02 -6.0000e+00 1.6743e-01 -1.6922e-02 2.9914e-03 1.2633e-02 -6.0000e+00 9.9615e-02 -3.6247e-03 1.5100e-03 4.2816e-03 -6.0000e+00 4.2248e-02 1.4758e-03 -9.0772e-04 4.3436e-05 4.2416e-05 -6.0000e+00 2.9575e-03 1.3555e-02 10 0 0 10 0 0 98.80 18.28 0.25 0.01356 0.00673 193 42 4 8 0 255.840 14.99 18.28 7.33 20.77 20.77 25.3 787.60 -9973 -58919 -45005 -44685 -23137 -23974 -47454 -13598 -31805 -20782 -30373 -38674 -22844 -13343 -9432 -4593 -12884 -8330 -2467 2905 -4985 368 -758 -8254 -424 -9475 -3391 -13831 -4908 -5073 -35 -1018 12 -1714 -1213 -1515 -2011 -2483 -2999 -1488 -5701 -1052 -2686 -1965 -1301 156 -731 -93 1101 1643 2063 1022 1908 598 1036 432 551 404 367 1160 1763 1666 1537 1310 351 1669 181 1969 1194 507 -148 180 -245 -69 164 305 476 372 929 -113 -84 -1148 -2159 -1278 -927 -879 -420 -379 -156 30 896 867 1069 1989 1068 585 689 108 -707 -376 -192 -89 1130 363 -1308 -863 -663 -777 -190 -215 -314 -271 -20 236 535 1341 751 549 -273 -708 -757 -137 -394 -93 374 162 1313 1563 471 246 19 -14 135 216 -412 -464 196 -219 -422 -37 1 64 292 -60 -662 -465 -442 -170 -176 -483 -114 -362 -227 -382 -543 -339 -227 -190 -103 -349 -236 -71 83 -159 11 -24 -314 -16 -417 -141 -618 -197 -218 -2 -57 1 -116 -78 -98 -145 -217 -324 -188 -835 -157 -427 -317 -211 25 -122 -16 190 299 413 229 462 158 287 125 163 119 106 328 515 537 560 529 147 663 71 774 525 258 -76 96 -129 -37 81 135 195 154 424 -61 -48 -752 -1549 -960 -742 -751 -376 -347 -142 26 718 644 753 1421 854 539 725 129 -917 -481 -228 -94 1104 366 -1450 -1006 -810 -1012 -267 -334 -492 -441 -32 389 820 1947 1105 849 -454 -1136 -1211 -228 -635 -144 553 230 1770 2184 742 433 33 -25 258 438 -897 -1061 455 -520 -1000 -85 1 129 575 SS 20240628T055939.8Z 8945.249766 246 1 49.37 2 77.47 55.24 45.17 298.56 0.00 1 0.00 1 0 25 7.039e-02 6.130e-03 2.647e-02 1.051e-03 4.976603e-01 5.324047e-04 5.003211e-03 -6.000000e+00 3.949282e-02 225.02 -2.00 3.06 -2.00 320.26 0.00e+00 1.574658e-03 1.827173e-04 6.908422e-04 -6.000000e+00 1.729301e-03 277.05 -2.00 20.00 -2.00 319.68 0.00e+00 4.487 0.001 302.00 328.00 3 1.0007e+00 1.5641e-03 4.2786e-02 -6.0000e+00 9.7703e-02 3.8822e-02 1.9343e-03 2.3231e-02 -6.0000e+00 1.0654e-01 -7.9545e-03 1.8018e-03 1.1450e-02 -6.0000e+00 6.3386e-02 -7.3027e-03 9.2631e-04 3.7614e-03 -6.0000e+00 2.6883e-02 2.8230e-03 -8.8698e-04 2.9994e-05 3.6989e-05 -6.0000e+00 1.8819e-03 1.3551e-02 11 1 0 11 8 0 97.37 18.28 0.28 0.01355 0.00689 317 68 2 8 0 155.710 14.99 18.28 8.03 20.77 20.77 25.5 792.25 -20701 -20571 -25544 -6240 -35572 -8830 -39313 -11938 -25904 -17433 -18870 -15749 -10500 -9824 -3203 -8409 -1135 -5255 -2314 -5407 -850 -2706 2333 -3033 -3446 -3627 -4406 -2006 -5992 2075 -447 2294 -998 -2466 -2321 -1567 -3628 -76 -2138 -2431 -1965 -2208 -1275 -2038 430 -988 -27 -550 288 1267 1639 1421 1401 1104 615 927 -679 228 15 1141 1486 1683 1535 1146 -128 1079 792 1019 1951 31 234 -514 -101 -141 -91 516 617 789 950 -2 -416 -931 -1896 -863 -1180 -851 -594 -481 -196 -63 862 818 1295 1578 1201 560 935 5 -720 -420 -190 -40 916 382 -1540 -712 -728 -582 -23 -89 -472 -257 -70 386 509 1247 920 531 -175 -938 -846 -334 -221 -166 645 154 1374 1416 406 178 57 88 102 291 -412 -450 51 -95 -514 4 -23 15 328 -214 -242 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