File name: Pandora159s1_Wakkerstroom_20200722_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T160921.3Z 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_20200722_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: 20200722 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 20200722T051334.6Z 7508.217762 7 1 51.27 2 85.18 64.32 102.87 74.71 0.00 1 0.00 1 0 25 7.501e-01 7.057e-02 5.611e-01 6.294e-02 9.062568e-01 3.938381e-02 9.381853e-03 -6.000000e+00 4.502254e-01 225.71 -2.00 3.06 -2.00 322.26 0.00e+00 -9.069805e-03 1.874650e-02 7.737251e-03 -6.000000e+00 2.678511e-02 276.74 -2.00 20.00 -2.00 321.81 0.00e+00 10.145 0.006 302.00 328.00 3 1.7774e+00 1.4346e-01 9.8276e-02 -6.0000e+00 1.1240e+00 1.4158e+00 1.6705e-01 5.5110e-02 -6.0000e+00 1.2342e+00 -1.6401e+00 1.0896e-01 2.5002e-02 -6.0000e+00 7.1018e-01 5.7470e-01 5.9026e-02 7.3981e-03 -6.0000e+00 2.9967e-01 8.8483e-06 -7.2794e-04 1.8830e-03 2.2881e-04 -6.0000e+00 2.2267e-02 -4.1077e-04 0.0000e+00 12 9 8 11 8 0 32.75 13.55 0.30 -0.00041 -0.00588 13 3 4 8 0 3943.380 14.73 13.55 -5.09 16.99 17.10 12.2 796.42 45234 -120037 900000 -25731 -93354 900000 900000 900000 900000 900000 -36835 900000 -109555 347254 900000 900000 9434 241586 163475 24692 900000 900000 900000 -109130 41001 900000 900000 900000 900000 383855 -104954 900000 900000 147370 -45210 -36565 91847 10289 900000 16655 900000 900000 900000 40740 80899 -71842 86968 48942 89547 39744 900000 900000 7709 900000 56545 103574 -16013 900000 -16366 900000 54209 189612 89243 25885 900000 76193 29265 -16328 900000 20765 37026 7140 93220 78172 10703 123755 -1070 63321 -45200 50670 -12009 22495 26122 16371 2841 33104 2805 -9839 11969 -15944 22490 -9884 47463 -3666 14357 -874 21056 -16912 3951 2785 -9457 9706 -5942 -5589 -2062 -2905 -1256 3059 -10139 -3101 -8727 6275 -3629 1041 -6929 -3296 3790 2384 1397 -3258 -2880 8043 -455 4742 4180 7313 4927 3171 504 -11 905 1410 3080 1282 -5891 3393 -1325 1733 3655 310 -3692 -1922 -1891 2758 -11299 900000 -1569 -5693 900000 900000 900000 900000 900000 -2246 900000 -8962 21175 900000 900000 575 14732 9968 1506 900000 900000 900000 -13444 2500 900000 900000 900000 900000 23407 -11927 900000 900000 8986 -3618 -2514 5601 627 900000 1154 900000 900000 900000 2495 4933 -11694 5303 2984 5460 2424 900000 900000 842 900000 4422 6316 -2652 900000 -2484 900000 3786 11562 5442 3150 900000 6099 3631 -3251 900000 3654 6110 1625 9165 8196 1905 7546 -174 5697 -12801 6865 -3501 5440 6775 4970 1041 9580 1127 -4561 4465 -7466 6828 -3859 10562 -1402 5286 -438 10034 -13483 2863 2089 -7566 5787 -3689 -3379 -1287 -1946 -874 2206 -9269 -3064 -10460 7165 -4738 1298 -9003 -4011 4336 2897 1816 -4584 -3981 9500 -559 5423 4677 7749 5194 3575 676 -17 1608 2719 6274 2873 -15223 8526 -3576 4600 9551 805 -9247 -4383 -4117 SS 20200722T052829.0Z 7508.228114 10 1 50.03 2 82.22 62.45 99.80 73.26 0.00 1 0.00 1 0 25 5.999e-01 1.299e-02 3.142e-01 5.999e-03 7.328227e-01 3.302993e-03 7.114559e-03 -6.000000e+00 3.426120e-01 225.71 -2.00 3.06 -2.00 321.75 0.00e+00 8.023858e-03 1.718724e-03 3.611552e-03 -6.000000e+00 1.479876e-02 276.74 -2.00 20.00 -2.00 321.29 0.00e+00 6.902 0.002 302.00 328.00 3 1.4050e+00 1.1757e-02 7.0470e-02 -6.0000e+00 8.5168e-01 2.1596e-01 1.7171e-02 5.0635e-02 -6.0000e+00 9.2844e-01 -3.1389e-01 1.8698e-02 1.9616e-02 -6.0000e+00 5.4912e-01 1.2424e-01 8.7116e-03 1.0366e-02 -6.0000e+00 2.3182e-01 2.2522e-04 -1.3262e-03 1.6953e-04 8.5982e-05 -6.0000e+00 1.6276e-02 1.1359e-03 0.0000e+00 12 8 8 10 0 0 22.73 16.05 0.21 0.00114 -0.00883 96 21 4 8 0 515.740 15.01 16.05 -1.56 19.04 19.12 11.4 812.52 -214170 18219 -234321 -67973 -252764 -88904 -193534 900000 -61941 264858 -130821 -188636 -41928 -111470 -51878 -119722 117270 -105000 900000 -71476 188274 -47534 24956 -12267 -17475 -15994 -70055 -19943 -54885 132891 -47226 28123 6842 47936 -3292 29444 15420 9433 53076 -5409 11872 -16953 21276 -13344 32509 8142 25244 7164 7293 12466 8075 14123 2939 17479 4808 20807 -2567 14141 -2392 14756 -787 7462 4509 3986 9096 4339 8692 -2147 11098 -865 6799 -168 2672 1002 235 2837 -273 3030 -2703 468 -1661 591 -4804 708 -973 0 -748 32 -1478 -236 552 -243 2091 -2171 1043 -1494 1295 -59 -311 -548 93 142 271 -324 -2787 -1035 -2620 -842 -1414 431 -1093 -82 -86 342 189 1030 364 -100 415 -1289 -8 -196 408 -211 1577 1028 1587 2225 323 628 270 573 -346 909 -622 -1 -512 517 -479 -505 -44 -237 30 -2403 107 -4210 -398 -4943 -520 -2123 900000 -362 1549 -1063 -3011 -245 -1460 -504 -2705 686 -2669 900000 -1528 1101 -822 220 -164 -260 -245 -1830 -320 -1234 777 -1306 471 164 855 -93 592 379 284 1280 -269 567 -1145 1066 -959 1547 507 1384 486 524 917 687 1279 327 1833 604 2333 -371 1734 -333 1721 -109 1053 750 760 1785 891 1700 -479 2388 -241 1953 -54 834 300 65 690 -64 693 -736 147 -631 254 -2400 357 -530 0 -457 20 -944 -144 316 -131 1067 -1190 618 -1066 1047 -56 -325 -585 94 130 223 -264 -2487 -967 -2598 -881 -1624 552 -1588 -126 -135 527 278 1445 513 -148 645 -2129 -14 -308 609 -309 2190 1398 2067 2968 495 1094 522 1181 -760 2082 -1540 -3 -1364 1384 -1297 -1332 -109 -552 67 SS 20200722T053455.2Z 7508.232583 13 1 50.34 2 80.96 61.61 98.48 72.62 0.00 1 0.00 1 0 25 3.768e-01 6.687e-03 2.317e-01 3.217e-03 6.639628e-01 1.728141e-03 6.515975e-03 -6.000000e+00 2.129451e-01 225.71 -2.00 3.06 -2.00 321.36 0.00e+00 3.885286e-03 8.319985e-04 2.565494e-03 -6.000000e+00 9.256296e-03 276.74 -2.00 20.00 -2.00 320.87 0.00e+00 6.045 0.001 302.00 328.00 3 1.2530e+00 5.7861e-03 5.9895e-02 -6.0000e+00 5.2777e-01 3.4681e-02 8.3415e-03 3.8366e-02 -6.0000e+00 5.7422e-01 -4.8331e-02 9.2525e-03 1.7298e-02 -6.0000e+00 3.4142e-01 8.7645e-03 4.3994e-03 7.2713e-03 -6.0000e+00 1.4538e-01 5.5807e-04 -1.0274e-03 9.0587e-05 6.2268e-05 -6.0000e+00 1.0060e-02 1.8005e-03 0.0000e+00 11 8 0 10 0 0 20.28 16.56 0.36 0.00180 -0.00592 161 35 4 8 0 306.880 15.02 16.56 -0.47 19.44 19.54 11.3 817.72 -101682 -125993 -116068 -179308 -19074 -146909 26161 -139229 -78774 -138975 -76064 150833 -49734 -56933 -84552 -47405 -63549 19282 -36490 -31804 -6068 10429 1169 -1718 14276 -24388 -10383 -24439 -10411 -9499 15135 -28483 4927 -1798 1795 6994 -9455 1737 -1256 2278 -8412 3007 -5250 212 -936 4187 -2080 1020 881 578 4192 2040 2772 3220 4184 -923 1564 -1017 1307 942 2005 -59 1677 4467 286 1117 635 1977 1135 3298 281 599 -1386 238 -829 824 1187 -1188 2469 -819 959 -1066 -1093 -1824 -590 -1198 -199 -547 346 -508 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