File name: Pandora159s1_Wakkerstroom_20210428_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T025749.9Z 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_20210428_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: 20210428 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 20210428T044302.0Z 7788.196551 175 1 48.01 2 86.61 72.08 80.05 256.43 0.00 1 0.00 1 0 93 1.281e+00 4.430e-01 6.677e-01 2.939e-01 9.173895e-03 1.793446e-01 5.550930e-03 -6.000000e+00 8.269113e-01 225.61 -2.00 3.06 -2.00 318.23 0.00e+00 4.484000e-02 3.758544e-02 1.921483e-03 -6.000000e+00 4.656755e-02 279.83 -2.00 20.00 -2.00 316.99 0.00e+00 12.773 0.013 302.00 328.00 3 2.4589e+00 4.8915e-01 1.1033e-01 -6.0000e+00 2.0753e+00 5.5183e-01 5.6250e-01 6.4948e-02 -6.0000e+00 2.3108e+00 -6.6998e-01 2.9337e-01 7.4508e-03 -6.0000e+00 1.3187e+00 2.6943e-01 1.3548e-01 2.1613e-02 -6.0000e+00 5.7031e-01 1.4525e-06 4.9670e-02 1.1785e-02 1.5726e-04 -6.0000e+00 4.2630e-02 6.3900e-03 12 8 8 10 0 0 -43.50 18.95 4.34 0.00639 0.37963 12 3 4 8 0 4000.000 14.99 18.95 8.59 21.27 21.17 15.8 841.09 900000 76082 900000 -26066 -11875 900000 900000 900000 137412 900000 900000 39676 -41245 455882 -13842 900000 -11952 235305 900000 900000 900000 900000 900000 900000 900000 -40301 900000 -109216 900000 900000 900000 71680 900000 900000 -12641 900000 900000 900000 31320 900000 900000 900000 -86095 -34378 900000 900000 -42415 900000 900000 900000 900000 900000 900000 900000 900000 900000 284726 377764 119981 900000 900000 226683 238974 96495 9512 354443 900000 900000 38391 900000 -58027 900000 -60981 218806 -2473 900000 -41208 35418 900000 -36251 900000 9435 38266 -3262 158599 57375 225209 12589 317014 900000 176882 233614 900000 142127 16809 133679 18106 -14678 -50520 11101 14478 24144 38802 9361 113978 91280 -44731 52100 372841 40547 51494 -2586 546 -30405 69049 52054 49558 -32610 -13243 162462 -10174 46721 17613 281 -26206 43660 31321 181889 12362 56281 8851 -5676 1293 -19074 -1559 -2360 1983 9244 -11179 -9248 19034 13272 2220 900000 21512 900000 -12132 -3985 900000 900000 900000 38852 900000 900000 11218 -24629 128898 -6849 900000 -5950 66531 900000 900000 900000 900000 900000 900000 900000 -12087 900000 -77384 900000 900000 900000 20267 900000 900000 -3604 900000 900000 900000 8856 900000 900000 900000 -74294 -18647 900000 900000 -22756 900000 900000 900000 900000 900000 900000 900000 900000 900000 80505 106811 33924 900000 900000 64093 67569 27284 3227 100217 900000 900000 12532 900000 -47716 900000 -45738 61866 -904 900000 -25376 11705 900000 -27635 900000 5129 17143 -2351 44843 25321 63676 8127 89634 900000 50012 66053 900000 40186 11460 37797 13496 -14410 -65950 7669 10064 16783 25407 8640 40609 42746 -82048 39412 105419 33538 35691 -2774 536 -40231 37295 36370 39371 -61455 -21316 47840 -15508 39513 19064 345 -41352 36924 31921 51428 16260 49096 12579 -9868 2245 -42160 -3028 -4784 3909 16926 -24652 -19898 31767 24665 4964 SS 20210428T045145.2Z 7788.202606 179 1 48.31 2 84.78 71.03 81.84 255.52 0.00 1 0.00 1 0 25 6.203e-01 4.414e-02 4.761e-01 3.670e-02 8.321825e-01 2.195466e-02 8.068456e-03 -6.000000e+00 3.694817e-01 225.61 -2.00 3.06 -2.00 322.24 0.00e+00 9.729760e-03 1.206917e-02 3.616267e-03 -6.000000e+00 1.857760e-02 279.83 -2.00 20.00 -2.00 321.77 0.00e+00 9.552 0.005 302.00 328.00 3 1.5917e+00 8.2798e-02 9.0629e-02 -6.0000e+00 9.1323e-01 1.1557e+00 1.0048e-01 5.5149e-02 -6.0000e+00 1.0029e+00 -1.4753e+00 7.6471e-02 1.9910e-02 -6.0000e+00 5.8986e-01 5.7605e-01 3.8236e-02 9.8821e-03 -6.0000e+00 2.5013e-01 1.8999e-05 -2.8768e-03 1.0937e-03 9.8382e-05 -6.0000e+00 1.8230e-02 1.0034e-02 12 8 8 10 0 0 22.69 18.93 0.96 0.01003 -0.01158 22 5 4 8 0 2195.610 15.00 18.93 9.32 21.27 21.27 16.0 846.24 900000 -80047 258730 104813 900000 -55973 900000 900000 -97448 -83008 -2444 -98502 900000 900000 900000 900000 -51964 56449 -26769 900000 -88434 -2501 -32568 -82518 900000 900000 900000 130995 900000 900000 900000 66321 900000 112453 900000 -17383 -27907 -10411 78138 900000 57272 900000 60474 139288 366038 900000 1477 900000 121282 124756 7567 -14277 92447 51630 21357 70190 91256 69635 132279 -36125 64337 28940 39708 17668 52665 60013 40648 25329 6228 12381 -9337 52100 11915 42612 9946 44870 3107 -9311 -17468 11579 20468 -3160 3020 -2397 15433 3468 2983 837 -6621 143 17310 1506 -12871 -9088 -15134 15089 -5015 -4528 -4725 -129 -6707 3893 -367 -13691 4623 1546 2641 -9737 5095 -3023 3669 -3253 -2069 4338 3342 -6260 -535 -1131 2347 2008 -566 1777 -2534 5715 -327 5648 -1815 5916 -2881 -456 4783 1061 1630 -2448 -117 -165 1176 -911 1871 -692 -239 -3288 262 900000 -4574 9219 3735 900000 -1994 900000 900000 -3998 -2958 -87 -4191 900000 900000 900000 900000 -3411 2011 -1466 900000 -8212 -92 -1547 -6365 900000 900000 900000 4668 900000 900000 900000 2363 900000 4007 900000 -927 -1703 -607 2784 900000 2457 900000 2663 4963 13043 900000 116 900000 4321 4445 701 -1793 4442 3914 2249 4649 4909 4482 4713 -5894 4034 2803 3954 2458 5557 5798 4716 3530 1147 2450 -2481 7828 2572 6307 1806 5180 505 -1767 -4121 2494 4785 -1064 1052 -933 5326 1426 1290 379 -3202 62 5979 570 -5500 -3964 -8092 7099 -3392 -3530 -4089 -108 -5611 2635 -233 -9864 2980 1092 1957 -8864 4487 -3314 4283 -4387 -2826 5500 4108 -8208 -672 -1507 3211 2854 -815 2378 -3396 6913 -408 6479 -2184 6997 -4301 -768 8575 2140 3482 -5810 -291 -433 3112 -2492 4956 -1810 -578 -7617 561 SS 20210428T050540.9Z 7788.212279 182 1 49.81 2 81.87 69.31 84.70 254.04 0.00 1 0.00 1 0 25 4.270e-01 8.136e-03 2.696e-01 4.070e-03 6.871406e-01 2.184008e-03 6.606153e-03 -6.000000e+00 2.402352e-01 225.61 -2.00 3.06 -2.00 321.54 0.00e+00 5.808697e-03 1.138951e-03 2.524417e-03 -6.000000e+00 1.061312e-02 279.83 -2.00 20.00 -2.00 321.02 0.00e+00 6.639 0.002 302.00 328.00 3 1.0915e+00 7.7093e-03 6.5023e-02 -6.0000e+00 5.9459e-01 9.6802e-02 1.1253e-02 4.1743e-02 -6.0000e+00 6.4766e-01 -1.1783e-01 1.2199e-02 1.7653e-02 -6.0000e+00 3.8577e-01 3.7632e-02 5.6935e-03 9.4095e-03 -6.0000e+00 1.6392e-01 4.0533e-04 -1.0776e-03 1.1373e-04 7.3912e-05 -6.0000e+00 1.1415e-02 9.5206e-03 11 8 0 10 0 0 49.40 18.93 0.31 0.00952 0.00142 147 32 4 8 0 336.480 14.99 18.93 10.52 21.27 21.27 16.1 853.37 -94807 -164171 -145096 -182070 58801 -190979 -142473 -82547 20505 166404 62907 -140560 -40165 -68332 -114296 -65072 -35818 -33809 -41651 -15935 -13450 -22156 -14624 24495 20833 -33912 27701 -46536 -53231 744 -23227 -22736 5298 -5439 -5294 -2956 -2481 14800 6553 -7694 1062 -8019 -4840 19 -581 -1095 533 8736 12604 5746 5450 6115 5749 1868 2623 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