File name: Pandora159s1_Wakkerstroom_20201020_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T165642.9Z 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_20201020_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: 20201020 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 20201020T035004.0Z 7598.159769 23 1 48.01 2 83.92 98.68 115.95 134.67 0.00 1 0.00 1 0 25 6.628e-01 5.819e-02 5.280e-01 5.367e-02 8.904505e-01 3.212056e-02 8.644015e-03 -6.000000e+00 3.928234e-01 228.10 -2.00 3.06 -2.00 322.03 0.00e+00 -2.266411e-02 1.483913e-02 1.037269e-02 -6.000000e+00 2.094126e-02 278.74 -2.00 20.00 -2.00 321.55 0.00e+00 8.486 0.004 302.00 328.00 3 2.9713e+00 1.1297e-01 1.1170e-01 -6.0000e+00 9.8426e-01 1.1479e+00 1.3746e-01 1.2097e-01 -6.0000e+00 1.0797e+00 -1.5890e+00 9.7310e-02 2.9355e-02 -6.0000e+00 6.2452e-01 6.4363e-01 4.9432e-02 2.0878e-02 -6.0000e+00 2.6375e-01 1.0891e-05 -5.2637e-04 1.5684e-03 1.3303e-04 -6.0000e+00 1.8803e-02 5.9252e-03 0.0000e+00 12 8 8 10 0 0 14.88 19.10 1.23 0.00593 0.00197 12 3 4 8 0 4000.000 15.00 19.10 23.57 21.38 21.27 12.7 937.37 113352 108070 900000 900000 -95923 900000 -51971 900000 -86075 900000 900000 442325 -86681 -35894 -40518 -24391 -9918 92502 -8145 -28299 900000 33940 900000 108706 53847 900000 -44690 -43057 -54708 900000 -43910 900000 -56481 900000 19216 900000 900000 3976 7773 101282 900000 900000 900000 -33064 219473 86945 174829 9170 64273 -633 145458 25217 900000 38473 106087 164203 75139 900000 106608 -9139 74059 24907 -5115 151372 -7903 29145 3326 53209 27622 16862 14582 -18507 14012 17828 -4114 16458 43270 -54726 36876 -17284 -17559 18745 -14361 13987 -5254 9896 780 17164 -11388 23158 -9835 7427 -6578 -1734 -4225 5460 3984 -11796 -2854 4768 -3186 -3432 11698 -8681 1572 475 -49 -4832 -5131 11843 -2350 1655 -4840 6677 -3836 8604 4191 5032 -3472 -566 4294 816 7014 -275 -3628 -5966 -5268 -2459 2676 5156 -422 833 -2038 -499 1500 2599 -4495 381 -3010 1146 -635 2694 2512 5910 5634 900000 900000 -5821 900000 -2710 900000 -6627 900000 900000 23061 -8047 -2191 -2817 -1538 -557 4823 -447 -1825 900000 1769 900000 5668 2807 900000 -4297 -3514 -4285 900000 -3187 900000 -5697 900000 1002 900000 900000 252 588 5280 900000 900000 900000 -4803 11443 4533 9115 732 3351 -61 7584 2323 900000 3697 5682 8561 6027 900000 5762 -1389 4800 2721 -829 7892 -1553 3942 575 5952 4424 3438 3353 -6083 3300 3760 -962 2785 5216 -17271 5355 -5017 -6026 5269 -6175 4918 -2362 4067 365 7019 -6056 8441 -4631 2798 -2810 -748 -2129 2932 2523 -10059 -2464 3876 -2653 -2572 6836 -6127 1076 350 -39 -4254 -5061 11383 -2967 2200 -7084 8724 -5340 10249 5231 6534 -5160 -846 6014 1123 8714 -358 -4734 -7753 -6576 -3131 3741 8150 -793 1674 -4503 -1168 3696 6695 -12675 1033 -8369 2924 -1528 5790 5134 SS 20201020T040412.7Z 7598.169591 26 1 49.40 2 80.81 97.12 113.75 132.21 0.00 1 0.00 1 0 25 4.453e-01 1.192e-02 2.646e-01 5.296e-03 6.907751e-01 2.979335e-03 6.713093e-03 -6.000000e+00 2.575832e-01 228.10 -2.00 3.06 -2.00 321.60 0.00e+00 8.536410e-03 1.532522e-03 2.455210e-03 -6.000000e+00 1.235169e-02 278.74 -2.00 20.00 -2.00 321.11 0.00e+00 5.957 0.001 302.00 328.00 3 2.1654e+00 1.0515e-02 6.1509e-02 -6.0000e+00 6.4350e-01 1.8293e-02 1.5533e-02 4.3619e-02 -6.0000e+00 7.0086e-01 -8.5249e-02 1.7103e-02 1.8275e-02 -6.0000e+00 4.1115e-01 3.0905e-02 7.9675e-03 1.1041e-02 -6.0000e+00 1.7673e-01 2.3400e-04 -1.2614e-03 1.5445e-04 8.9975e-05 -6.0000e+00 1.2234e-02 5.6232e-03 0.0000e+00 12 8 8 10 0 0 88.27 19.10 0.36 0.00562 -0.00386 82 18 4 8 0 602.290 15.00 19.10 24.21 21.38 21.38 12.6 940.94 900000 900000 96742 -157425 -65890 900000 -270425 900000 -155896 900000 -207552 900000 -135298 -29612 -120531 -34726 -1556 -58346 -29629 -47692 900000 -65805 900000 -53367 92594 -67559 4174 -47982 15884 -28279 -26445 5598 -24759 39524 -16911 60312 -20902 3396 -20699 9258 -14749 12071 -4233 -6848 3757 -1656 -3052 -12111 9299 -4710 22735 -202 8508 -4252 6030 200 -1331 -41 -1816 4177 871 13924 3851 8321 127 4875 1107 3484 3482 3166 1748 2437 3390 -3225 2366 -1459 5015 -3964 4210 -2497 505 -1245 -313 398 -1065 -1015 -1058 852 -976 1914 201 2267 141 2962 1365 995 343 -123 -387 -1386 979 -1300 1135 -517 -417 -2296 -6462 -853 234 234 -189 -216 -187 505 -120 1579 849 546 -574 -639 -1487 420 250 289 940 930 2228 1535 1027 -71 695 -203 294 128 -70 -595 260 -108 -551 -98 -146 -87 109 900000 900000 499 -920 -340 900000 -4484 900000 -1075 900000 -2670 900000 -1295 -153 -1769 -276 -10 -769 -328 -670 900000 -1150 900000 -908 478 -1482 47 -896 165 -493 -555 106 -739 696 -501 838 -686 105 -975 388 -883 609 -266 -462 235 -114 -221 -1000 665 -413 1713 -21 917 -563 766 28 -195 -6 -262 565 126 1965 685 1622 29 1054 245 774 844 892 556 810 1109 -1068 685 -394 1192 -1033 1134 -863 199 -574 -157 210 -609 -619 -682 558 -652 1205 122 1257 77 1616 839 717 288 -119 -414 -1523 990 -1220 947 -434 -376 -2216 -6847 -915 272 305 -273 -335 -293 765 -174 2162 1171 789 -891 -1028 -2403 647 371 418 1302 1254 2854 2040 1531 -122 1290 -408 611 282 -165 -1490 655 -277 -1427 -246 -350 -194 235 SS 20201020T041543.4Z 7598.177586 31 1 50.85 2 78.27 95.85 111.90 130.31 0.00 1 0.00 1 0 25 1.934e-01 6.358e-03 7.942e-02 1.902e-03 5.747308e-01 1.003823e-03 5.815748e-03 -6.000000e+00 1.102098e-01 228.10 -2.00 3.06 -2.00 320.90 0.00e+00 7.304314e-03 4.206647e-04 2.647820e-03 -6.000000e+00 4.790029e-03 278.74 -2.00 20.00 -2.00 320.37 0.00e+00 4.768 0.001 302.00 328.00 3 1.6078e+00 3.1866e-03 5.0516e-02 -6.0000e+00 2.7447e-01 1.3133e-02 4.1998e-03 3.7582e-02 -6.0000e+00 2.9807e-01 -4.1941e-02 4.2555e-03 1.4065e-02 -6.0000e+00 1.7710e-01 8.7510e-03 2.0980e-03 1.0350e-02 -6.0000e+00 7.5118e-02 1.1317e-03 -1.0845e-03 5.4213e-05 6.3906e-05 -6.0000e+00 5.1663e-03 5.4598e-03 0.0000e+00 11 1 0 11 8 0 90.10 19.09 0.24 0.00546 -0.00269 221 48 2 8 0 223.010 15.00 19.09 24.79 21.48 21.38 12.6 943.30 -51311 -86857 -44627 -66816 -79157 -30881 -78622 -47267 -69992 -43690 -69767 -41117 -44480 -23183 -27436 -8199 -7786 -14975 -12215 -14443 -1238 -18901 -4853 -9967 -5416 -4790 -13315 -8741 -11208 -7421 -8844 -3496 4560 -465 1331 4076 -3403 2466 -2569 -1313 -1407 -1864 -1648 -2030 -392 -2703 2864 -1774 2875 1516 3473 1394 1291 649 593 1438 -324 -76 335 906 771 1403 1708 1698 441 1182 1072 971 1920 568 473 -260 -134 -216 -9 105 1106 407 615 -647 -666 -996 -2294 -973 -1503 -914 -570 -266 -193 648 980 1294 1299 2041 1289 567 851 571 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