File name: Pandora159s1_Wakkerstroom_20201108_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T170659.2Z 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_20201108_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: 20201108 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 20201108T032939.7Z 7617.145598 125 1 49.41 2 85.32 106.37 49.62 5.20 0.00 1 0.00 1 0 25 6.942e-01 2.845e-02 4.831e-01 2.225e-02 9.841287e-01 1.403050e-02 9.222771e-03 -6.000000e+00 4.147138e-01 228.21 -2.00 3.06 -2.00 322.56 0.00e+00 1.257641e-02 8.733236e-03 6.355931e-03 -6.000000e+00 2.325742e-02 279.59 -2.00 20.00 -2.00 322.16 0.00e+00 10.353 0.007 302.00 328.00 3 1.0566e-01 5.8583e-02 1.0835e-01 -6.0000e+00 1.0267e+00 1.2409e+00 8.2116e-02 8.7601e-02 -6.0000e+00 1.1205e+00 -1.5889e+00 7.5874e-02 3.2552e-02 -6.0000e+00 6.6060e-01 6.3132e-01 3.4722e-02 1.2369e-02 -6.0000e+00 2.8494e-01 3.8129e-05 -2.1302e-03 6.4047e-04 1.3417e-04 -6.0000e+00 2.0212e-02 7.0952e-03 0.0000e+00 12 8 8 10 0 0 45.81 19.17 0.79 0.00710 -0.00891 55 12 4 8 0 898.170 15.00 19.17 17.09 21.48 21.38 12.8 902.34 -154593 900000 900000 900000 900000 900000 900000 900000 -175279 -178400 -70789 -94221 900000 86759 900000 900000 142547 900000 -25704 900000 -61149 900000 -138174 900000 900000 900000 -55119 900000 186252 127046 900000 47043 187710 -14601 -859 137879 900000 -27890 -6678 50653 138513 4857 112886 51870 197951 100873 -18282 900000 45368 53196 -14344 352660 90749 69221 133407 19386 49185 53859 135221 27243 27924 33576 67468 29143 96319 5084 40350 17750 22597 14613 12231 46017 15254 18990 -20725 9751 4710 7576 5980 10087 -768 6460 4792 11946 9136 -294 13188 -1952 5257 -7077 5235 10799 8658 -6076 3413 -6288 283 1558 -2803 -3347 -7797 2461 -2605 -1737 -5714 1223 -9193 -4879 -1263 -4155 -3672 -2830 1403 169 -72 -763 1908 -341 1075 824 -1057 3713 4345 317 2072 1133 2723 1293 1472 1008 -1485 1881 1486 223 673 -324 -88 -648 -1269 -413 608 -473 -501 -5467 900000 900000 900000 900000 900000 900000 900000 -5165 -5257 -1530 -2036 900000 1875 900000 900000 3081 900000 -606 900000 -1922 900000 -8144 900000 900000 900000 -1299 900000 4025 2746 900000 1017 4057 -459 -22 2980 900000 -986 -223 1095 2993 191 2440 1325 4278 2180 -970 900000 1569 1839 -986 7621 2942 2992 3171 1333 2764 2794 2922 1649 1690 2104 3499 2348 4788 579 3575 1883 2531 2038 1922 5334 2338 2574 -3705 1243 590 966 822 1645 -169 1548 1309 3239 2692 -101 4120 -729 1818 -2670 1635 3013 2432 -2113 1261 -3101 157 1013 -2153 -2670 -6158 1557 -1525 -973 -3536 752 -6647 -3681 -1039 -4131 -4228 -3591 1787 219 -91 -940 2313 -444 1466 1165 -1486 4690 5182 384 2394 1286 2963 1509 2015 1649 -2850 3847 3288 540 1751 -901 -249 -1861 -3653 -1128 1511 -1088 -1085 SS 20201108T034323.7Z 7617.155136 128 1 51.46 2 82.38 104.89 49.43 1.11 0.00 1 0.00 1 0 25 4.833e-01 6.428e-03 2.971e-01 2.737e-03 7.631926e-01 1.527377e-03 7.311152e-03 -6.000000e+00 2.755530e-01 228.21 -2.00 3.06 -2.00 321.73 0.00e+00 5.082644e-03 8.198950e-04 2.381916e-03 -6.000000e+00 1.201503e-02 279.59 -2.00 20.00 -2.00 321.24 0.00e+00 7.025 0.002 302.00 328.00 3 2.8438e-02 5.5879e-03 6.9747e-02 -6.0000e+00 6.8623e-01 1.2244e-01 8.5577e-03 4.5106e-02 -6.0000e+00 7.4508e-01 -9.6920e-02 9.6354e-03 2.0806e-02 -6.0000e+00 4.4288e-01 2.6115e-02 4.4263e-03 9.6221e-03 -6.0000e+00 1.8793e-01 7.7808e-04 -9.3763e-04 7.6982e-05 8.7951e-05 -6.0000e+00 1.2914e-02 6.2591e-03 0.0000e+00 11 8 0 10 0 0 28.69 19.16 0.28 0.00626 -0.00079 304 65 2 8 0 162.330 15.00 19.16 18.29 21.48 21.38 12.8 909.07 -159679 -103486 -168803 -127724 -221802 -154142 -128025 -78505 -100834 -178973 -48276 -204225 -29520 -118988 -50373 -77844 -6338 -54254 72023 -83630 -6766 -34752 -18253 -28561 -40062 -7434 -40362 -33158 -58520 -39798 -48836 -19561 -13945 -5476 3757 -15293 -14626 -3273 8679 -9665 8799 -13815 542 -5071 8060 247 1787 2035 5787 3584 400 11000 3019 5893 2139 3005 758 735 2005 15 2869 1900 2991 2106 2115 799 3276 2287 3278 1394 2177 31 5 -1497 -911 1147 -704 966 557 1302 -976 -219 -2195 -565 -822 -589 -1091 -452 53 -388 654 800 1578 792 1052 -412 844 143 18 -369 -110 -280 980 272 -1392 -1056 -949 -733 -648 241 -430 -456 -271 254 253 1039 1311 707 31 -799 -524 -140 76 -200 509 61 815 1720 256 -146 36 143 17 201 -386 -256 18 204 -552 -66 41 -1 399 -426 -276 -676 -341 -1421 -494 -342 -210 -269 -1147 -129 -2126 -79 -953 -269 -686 -32 -507 211 -1250 -49 -334 -156 -297 -513 -73 -571 -434 -1000 -627 -1043 -392 -316 -126 77 -376 -390 -85 249 -403 350 -754 27 -282 403 14 103 123 362 250 33 921 305 638 258 378 101 98 257 2 368 273 492 403 438 168 669 492 777 391 676 10 2 -473 -261 288 -168 232 152 427 -390 -100 -1141 -308 -479 -365 -657 -279 36 -252 394 451 852 447 671 -314 682 134 19 -394 -110 -251 849 234 -1306 -1049 -908 -751 -733 307 -621 -711 -430 391 370 1447 1823 1034 48 -1307 -844 -214 112 -284 692 81 1121 2231 384 -253 69 296 37 471 -976 -683 50 562 -1532 -175 102 -2 880 SS 20201108T034943.9Z 7617.159536 131 1 51.85 2 81.02 104.21 49.41 359.22 0.00 1 0.00 1 0 25 3.593e-01 6.111e-03 9.978e-02 1.539e-03 6.749149e-01 8.349939e-04 6.658956e-03 -6.000000e+00 2.048565e-01 228.21 -2.00 3.06 -2.00 321.27 0.00e+00 3.789429e-03 3.991019e-04 2.013910e-03 -6.000000e+00 8.932250e-03 279.59 -2.00 20.00 -2.00 320.74 0.00e+00 6.081 0.001 302.00 328.00 3 -2.3829e-02 2.8266e-03 6.0131e-02 -6.0000e+00 5.1017e-01 8.1470e-02 3.9817e-03 3.7471e-02 -6.0000e+00 5.5392e-01 -4.9023e-02 4.2652e-03 1.7115e-02 -6.0000e+00 3.2925e-01 6.9599e-03 2.0270e-03 7.6082e-03 -6.0000e+00 1.3971e-01 1.8556e-03 -8.8893e-04 4.3373e-05 6.6756e-05 -6.0000e+00 9.6005e-03 6.1523e-03 0.0000e+00 10 0 0 10 0 0 32.00 19.16 0.28 0.00615 -0.00053 476 102 2 8 0 103.480 14.99 19.16 18.93 21.48 21.38 12.9 913.11 -181931 -72350 -138850 -76272 -148423 -97173 -99893 -109467 -119368 -106048 -66527 -104171 -42198 -76722 -37581 -49805 4051 -31467 -10484 -24410 -20560 -15807 -28245 -13809 -28100 -13394 -23919 -7437 -28954 -4305 -6293 2693 -1661 -2163 -4083 -13292 -5224 -7967 -1212 -6395 -268 -4929 299 -3564 458 679 2155 2144 638 3048 1589 4378 2392 3499 2135 2160 403 294 413 1186 2335 2994 2545 1351 1152 749 2286 937 2591 533 883 -242 -99 -143 -686 260 -141 487 291 -156 -290 -572 -1855 -897 -1093 -758 -601 -447 168 -168 919 644 738 725 1262 139 901 367 -384 -398 -74 -6 727 1073 -1565 -1104 -400 -798 -375 -133 -471 -249 -111 271 481 993 964 583 92 -801 -660 -241 -25 -357 499 123 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