File name: Pandora159s1_Wakkerstroom_20200803_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T161341.9Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: B. Scholes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora159_OF_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v6d20191220.txt Level 1 file used: Pandora159s1_Wakkerstroom_20200803_L1_smca1c6d20191220p1-8.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: 20200803 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: Update session 4 based on session2 for SO2 First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0490 305.1898 305.3306 305.4713 305.6121 305.7529 305.8936 306.0343 306.1750 306.3157 306.4564 306.5971 306.7378 306.8785 307.0191 307.1597 307.3004 307.4410 307.5816 307.7222 307.8628 308.0033 308.1439 308.2845 308.4250 308.5655 308.7060 308.8465 308.9870 309.1275 309.2680 309.4084 309.5489 309.6893 309.8297 309.9701 310.1105 310.2509 310.3913 310.5317 310.6720 310.8124 310.9527 311.0930 311.2333 311.3736 311.5139 311.6542 311.7944 311.9347 312.0749 312.2152 312.3554 312.4956 312.6358 312.7760 312.9161 313.0563 313.1964 313.3366 313.4767 313.6168 313.7569 313.8970 314.0371 314.1771 314.3172 314.4572 314.5973 314.7373 314.8773 315.0173 315.1573 315.2973 315.4372 315.5772 315.7171 315.8570 315.9969 316.1369 316.2767 316.4166 316.5565 316.6964 316.8362 316.9760 317.1159 317.2557 317.3955 317.5352 317.6750 317.8148 317.9545 318.0943 318.2340 318.3737 318.5134 318.6531 318.7928 318.9325 319.0721 319.2118 319.3514 319.4910 319.6307 319.7703 319.9098 320.0494 320.1890 320.3285 320.4681 320.6076 320.7471 320.8866 321.0261 321.1656 321.3051 321.4445 321.5840 321.7234 321.8628 322.0023 322.1417 322.2810 322.4204 322.5598 322.6991 322.8385 322.9778 323.1171 323.2564 323.3957 323.5350 323.6743 323.8135 323.9528 324.0920 324.2312 324.3704 324.5096 324.6488 324.7880 324.9272 --------------------------------------------------------------------------------------- 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: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: 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 78: 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 79: 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 80: 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 81: 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 82: 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 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20200803T050555.7Z 7520.212450 182 1 49.36 2 85.23 67.63 97.11 241.54 0.00 1 0.00 1 0 62 8.401e-01 1.461e-01 5.269e-01 3.959e-02 7.470988e-01 2.281622e-02 1.787626e-02 -6.000000e+00 4.890051e-01 226.04 -2.00 3.06 -2.00 322.31 0.00e+00 -6.514298e-02 1.160837e-02 6.807551e-02 -6.000000e+00 2.314930e-02 276.68 -2.00 20.00 -2.00 321.88 0.00e+00 10.216 0.006 302.00 328.00 3 1.7423e+00 8.7297e-02 4.5793e-01 -6.0000e+00 1.2206e+00 3.3095e-01 1.1063e-01 6.3800e-01 -6.0000e+00 1.3347e+00 -9.3690e-01 8.5580e-02 1.7792e-01 -6.0000e+00 7.8482e-01 3.9324e-01 4.3628e-02 5.4456e-02 -6.0000e+00 3.3557e-01 1.8631e-05 7.4411e-03 1.2715e-03 4.8781e-04 -6.0000e+00 2.4872e-02 4.3142e-03 0.0000e+00 12 8 8 10 0 0 37.24 18.48 1.09 0.00431 0.06023 27 6 4 8 0 1827.850 15.00 18.48 3.96 20.96 20.87 10.7 839.94 -187015 900000 900000 900000 -171283 -143800 900000 -136024 900000 -86291 -4044 -70698 900000 -52527 275360 -11776 199812 900000 -95904 69247 -126411 900000 -105331 280120 -16963 186301 -62710 900000 900000 37128 1842 -25017 152278 -56645 900000 -78606 900000 -57555 900000 293804 24988 -7254 48857 42720 119123 28430 -33081 126987 -36415 -27899 55444 7347 7369 296462 50586 37927 95987 43604 85491 62473 181291 37438 185981 41729 51258 4680 84434 45564 111595 65862 32316 80612 76258 80623 27132 129988 33706 185396 25362 30887 37915 34995 22187 33764 20337 4790 44826 14413 17832 170 27637 -5440 18573 32745 11755 20480 2670 19198 -3371 -11321 -9917 -1253 77 18547 13242 17350 -76543 20759 11746 15512 11443 7116 7705 -1245 653 -1493 6674 3583 8792 4008 3753 11037 10200 13517 12422 16978 17919 20231 10538 4757 2567 -2348 -2661 -4373 -2589 -2816 167 -2267 -2524 -3690 -177 362 7710 -8736 900000 900000 900000 -6596 -5538 900000 -7497 900000 -5094 -156 -3510 900000 -2023 10604 -453 7695 900000 -4237 2667 -7735 900000 -7789 10787 -1073 7174 -6229 900000 900000 1430 71 -963 5864 -2986 900000 -5203 900000 -5107 900000 11314 2027 -817 2941 2384 4587 1437 -2812 4890 -3240 -2496 2491 604 679 11417 4020 3944 6137 4631 5459 4424 6981 3327 7162 4182 4725 657 5589 4822 7247 7789 5842 9553 9322 8911 4541 7161 4476 7139 4083 5487 7366 8077 6454 9585 7093 2089 13876 6039 7099 76 8978 -2370 6478 10804 5349 9720 1706 11689 -2719 -9731 -7887 -839 49 10489 8604 11569 -134585 15409 10625 15327 13184 9119 9966 -1720 848 -1922 8114 4731 11714 5733 5328 14058 12889 16170 14614 18543 19046 22714 14877 8010 4857 -4964 -6041 -10961 -6878 -7947 468 -6615 -7290 -10239 -446 855 16936 SS 20200803T052008.4Z 7520.222319 185 1 50.73 2 82.33 65.86 99.77 239.79 0.00 1 0.00 1 0 25 5.799e-01 9.809e-03 3.022e-01 4.007e-03 7.824748e-01 2.249565e-03 7.511564e-03 -6.000000e+00 3.307806e-01 226.04 -2.00 3.06 -2.00 321.88 0.00e+00 8.533283e-03 1.199672e-03 4.767965e-03 -6.000000e+00 1.457850e-02 276.68 -2.00 20.00 -2.00 321.42 0.00e+00 6.984 0.002 302.00 328.00 3 6.3474e-01 8.1568e-03 7.5426e-02 -6.0000e+00 8.2162e-01 1.9986e-01 1.2582e-02 6.0659e-02 -6.0000e+00 8.9464e-01 -2.3470e-01 1.4332e-02 2.2591e-02 -6.0000e+00 5.2848e-01 8.6294e-02 6.6020e-03 1.1397e-02 -6.0000e+00 2.2376e-01 4.2380e-04 -1.1885e-03 1.1295e-04 9.2731e-05 -6.0000e+00 1.5565e-02 4.4481e-03 0.0000e+00 12 8 8 10 0 0 49.70 18.44 0.31 0.00445 -0.00448 172 37 4 8 0 286.570 14.99 18.44 5.66 20.87 20.87 10.8 849.55 -325140 -167927 -213268 -192141 14139 900000 -94835 -222814 900000 -216706 -42077 -179157 2555 -175450 -52263 -77661 -18694 -72019 79791 63787 -61399 47861 -72242 -33922 -92832 54334 -50767 56281 -58447 -27480 -7862 29745 603 -14728 31231 -5035 13378 -13504 19962 -8526 4515 -11350 9035 -5183 4315 16150 14017 9840 6576 21740 992 13982 777 17190 4986 7983 4307 -801 3514 1790 5486 479 7103 -380 5372 -928 6502 210 6322 133 3212 3053 536 1680 1163 1327 -2343 2824 -2084 575 -1591 -35 -2279 -1219 -607 -1515 510 -1199 1824 -954 2332 -1689 1417 -624 697 -70 647 -96 -741 -593 -281 457 711 1246 -2228 -765 -1736 -950 -791 -446 -615 -620 43 190 717 670 1211 277 300 -1183 -514 -179 70 -180 807 769 1327 1834 243 303 258 581 126 396 -327 -360 -110 144 -526 -360 91 -169 376 -5426 -716 -1590 -1160 55 900000 -370 -1899 900000 -2078 -164 -1463 10 -2554 -297 -717 -113 -844 312 249 -785 224 -1052 -361 -1912 297 -739 308 -934 -361 -106 383 11 -356 466 -105 252 -393 510 -348 184 -592 411 -283 221 763 707 549 406 1258 80 1122 79 1630 570 924 532 -104 423 215 654 67 1074 -72 1041 -192 1247 45 1403 33 870 868 155 451 310 316 -541 635 -560 167 -564 -14 -1050 -592 -311 -835 290 -716 1057 -550 1217 -860 676 -316 395 -47 510 -89 -766 -625 -278 401 556 950 -1878 -675 -1631 -951 -875 -561 -876 -956 67 291 1041 933 1679 406 465 -1934 -824 -272 101 -254 1087 1002 1657 2366 364 524 500 1211 280 933 -834 -970 -303 400 -1472 -968 228 -394 829 SS 20200803T052627.7Z 7520.226710 188 1 51.46 2 81.05 65.05 100.93 238.98 0.00 1 0.00 1 0 25 3.987e-01 6.263e-03 2.262e-01 2.170e-03 7.003465e-01 1.168654e-03 6.828221e-03 -6.000000e+00 2.255099e-01 226.04 -2.00 3.06 -2.00 321.44 0.00e+00 5.628858e-03 5.711216e-04 2.671465e-03 -6.000000e+00 9.791701e-03 276.68 -2.00 20.00 -2.00 320.97 0.00e+00 6.100 0.001 302.00 328.00 3 4.7381e-01 3.9846e-03 6.2004e-02 -6.0000e+00 5.5933e-01 6.8891e-02 5.8570e-03 4.2219e-02 -6.0000e+00 6.0850e-01 -5.4246e-02 6.5558e-03 1.8349e-02 -6.0000e+00 3.6170e-01 1.0321e-02 3.0921e-03 8.8141e-03 -6.0000e+00 1.5383e-01 1.0867e-03 -1.0160e-03 6.0218e-05 7.4544e-05 -6.0000e+00 1.0646e-02 4.3092e-03 0.0000e+00 10 0 0 10 0 0 71.51 18.43 0.25 0.00431 -0.00333 302 65 2 8 0 163.360 15.00 18.43 6.40 20.87 20.87 10.9 854.12 -40407 -139317 23814 -140719 178167 -153893 -117007 -117890 -178671 -2519 -137467 99265 -109280 -10152 -73707 13571 -42132 2100 -31668 -24828 -22590 -39503 3022 -52779 -13040 -40082 -1139 -41984 1799 -24901 2385 -9215 -10272 -283 -16776 -2666 -11766 -953 -8579 4400 -7111 5816 -4361 2022 -1224 3250 1413 -371 1338 933 5058 1897 4914 2475 4391 906 1303 175 1610 -294 458 2405 1272 2430 237 3163 1104 2787 709 1067 35 -47 -319 -65 -465 -631 842 18 1822 -469 607 -963 -1869 -1433 -1283 -1163 -583 -463 -331 197 557 1680 739 2086 1048 748 732 457 -427 -321 218 -187 950 396 -1092 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