File name: Pandora159s1_Wakkerstroom_20200824_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T163200.2Z 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_20200824_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: 20200824 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 20200824T044711.8Z 7541.199442 19 1 49.51 2 85.15 75.03 129.01 134.33 0.00 1 0.00 1 0 17 6.368e-01 5.196e-02 5.286e-01 4.221e-02 9.670121e-01 2.552383e-02 9.347342e-03 -6.000000e+00 3.738126e-01 226.71 -2.00 3.06 -2.00 322.45 0.00e+00 1.521850e-02 1.366413e-02 1.619168e-02 -6.000000e+00 2.007499e-02 276.86 -2.00 20.00 -2.00 322.04 0.00e+00 10.103 0.006 302.00 328.00 3 1.0967e+00 9.6353e-02 1.3997e-01 -6.0000e+00 9.2506e-01 1.5654e+00 1.1337e-01 1.4162e-01 -6.0000e+00 1.0114e+00 -1.9886e+00 7.9504e-02 3.3010e-02 -6.0000e+00 5.9785e-01 7.8457e-01 4.1908e-02 1.9529e-02 -6.0000e+00 2.5481e-01 1.5876e-05 -2.5656e-03 1.1800e-03 9.9093e-05 -6.0000e+00 1.8456e-02 5.2365e-03 0.0000e+00 12 8 8 10 0 0 53.23 18.41 1.06 0.00524 -0.01404 22 5 4 8 0 2250.110 14.97 18.41 5.90 20.87 20.77 10.9 848.52 -21285 90922 -6639 -67862 900000 -165 -101538 900000 -126084 -47490 15172 900000 900000 900000 900000 -13772 900000 68965 15811 -10704 900000 100953 900000 -23048 900000 900000 900000 89874 900000 900000 900000 -10942 98124 262942 -2506 900000 -28185 900000 -49577 165468 900000 900000 286954 78765 900000 105602 -50754 -10091 115137 -25422 900000 249931 37604 102084 115475 30779 -9635 15627 82254 16659 6959 -1569 38750 133007 -4852 67594 24760 65567 65019 20868 32432 69379 73713 57051 34041 -15397 122814 47662 71855 20754 -222 5739 1519 -4506 -11198 12736 -11508 18283 5315 3775 11021 19626 -4396 29412 -10012 447 -7530 -4158 -8841 -3511 -3439 -5384 7107 -1162 -1975 -12055 53173 -9182 2880 2220 -6598 -4893 -5759 4977 -6262 4307 -2985 1462 -3936 4966 -776 7713 1300 437 -2907 6447 5520 -340 -1389 -1948 2786 1617 4720 919 599 -761 -538 -714 1645 365 -2874 -1007 -1517 -1110 3726 -322 -5310 900000 -7 -6431 900000 -8926 -1946 622 900000 900000 900000 900000 -718 900000 2827 707 -598 900000 4138 900000 -1030 900000 900000 900000 3683 900000 900000 900000 -530 4022 10777 -121 900000 -1575 900000 -4249 6782 900000 900000 11761 3228 900000 4328 -5484 -752 4719 -2463 900000 10243 2522 4184 4733 2649 -1113 1473 3708 1366 627 -167 3176 5451 -705 5264 2943 5375 5863 3336 5051 7677 7553 6313 4186 -2713 5034 4298 5890 3487 -55 1576 441 -1477 -4131 3891 -4674 6220 1861 1423 3614 5550 -1550 7835 -4596 203 -4461 -2819 -7115 -2773 -2576 -3651 4107 -700 -1271 -9140 22229 -7082 2444 2018 -7621 -6181 -7682 5972 -8166 4910 -3693 1819 -5485 6569 -1063 10084 1720 568 -3800 7477 6289 -431 -2089 -3505 5469 3217 9796 2138 1507 -2052 -1477 -1983 4444 955 -7165 -2476 -3520 SS 20200824T050117.9Z 7541.209235 22 1 49.88 2 82.14 73.32 126.78 131.25 0.00 1 0.00 1 0 25 5.652e-01 8.582e-03 2.359e-01 3.912e-03 7.799036e-01 2.193505e-03 7.468644e-03 -6.000000e+00 3.248131e-01 226.71 -2.00 3.06 -2.00 321.78 0.00e+00 6.119887e-03 1.154542e-03 3.267907e-03 -6.000000e+00 1.424526e-02 276.86 -2.00 20.00 -2.00 321.31 0.00e+00 6.839 0.002 302.00 328.00 3 7.3093e-01 7.8760e-03 7.0236e-02 -6.0000e+00 8.0603e-01 1.7966e-01 1.2033e-02 4.9487e-02 -6.0000e+00 8.7766e-01 -1.9648e-01 1.3670e-02 2.1651e-02 -6.0000e+00 5.1756e-01 6.8766e-02 6.3176e-03 9.7046e-03 -6.0000e+00 2.2001e-01 4.3173e-04 -1.1340e-03 1.0964e-04 8.8861e-05 -6.0000e+00 1.5373e-02 4.7824e-03 0.0000e+00 11 8 0 10 0 0 66.09 18.41 0.26 0.00478 -0.00374 167 36 4 8 0 295.120 15.05 18.41 7.10 20.87 20.87 10.9 855.77 900000 -266967 -74041 -222183 -234014 900000 900000 -188077 -239245 -45216 -241346 -139452 -97955 -128604 -100342 -73768 -44806 -66243 -12315 -55914 66704 -49668 -17176 -59824 -48973 -35117 -37971 -30559 -6971 -12813 -10476 20350 -25326 -1970 -23364 13895 -7215 -11275 -2598 2423 -16354 9991 -1224 -5686 13473 2103 8733 -2807 8550 1972 7408 3736 5347 5662 9031 1983 3307 3187 -714 2838 -181 3962 2801 5357 2473 3814 1681 2657 5391 284 1855 -18 2608 -1638 1584 -122 1794 -1106 1245 -194 -22 476 -2101 -825 -1155 248 -567 207 -202 291 1398 1025 637 473 392 296 695 -339 -433 -451 -100 -861 573 66 -1766 -2098 -656 -1076 -687 -9 -1081 -115 -455 332 50 1540 931 741 -163 -680 -537 124 472 -410 851 46 1370 1542 545 -229 285 331 117 423 -286 -251 -147 210 -742 -154 99 -5 183 900000 -2869 -282 -1694 -1866 900000 900000 -1219 -2654 -172 -3179 -851 -523 -1275 -995 -703 -376 -783 -94 -704 254 -606 -157 -913 -728 -482 -550 -408 -74 -161 -160 287 -615 -42 -599 265 -168 -324 -85 91 -845 433 -63 -319 640 116 469 -179 522 140 562 335 526 610 1008 249 423 408 -92 345 -23 542 450 968 500 763 342 558 1224 79 564 -6 818 -504 429 -30 404 -263 328 -63 -8 211 -1064 -440 -602 136 -330 123 -121 182 811 559 337 261 245 218 550 -315 -447 -474 -98 -764 489 55 -1620 -2051 -610 -1079 -759 -11 -1544 -176 -713 506 73 2114 1286 1072 -252 -1098 -854 186 677 -574 1137 60 1848 2155 806 -394 544 683 255 982 -720 -667 -400 574 -2050 -407 244 -11 399 SS 20200824T050740.7Z 7541.213666 25 1 51.41 2 80.78 72.52 125.74 129.93 0.00 1 0.00 1 0 25 3.799e-01 7.144e-03 1.833e-01 2.063e-03 6.968823e-01 1.113971e-03 6.841765e-03 -6.000000e+00 2.153867e-01 226.71 -2.00 3.06 -2.00 321.38 0.00e+00 6.828835e-03 5.303840e-04 3.374734e-03 -6.000000e+00 9.335905e-03 276.86 -2.00 20.00 -2.00 320.89 0.00e+00 5.943 0.001 302.00 328.00 3 5.2931e-01 3.7332e-03 6.2592e-02 -6.0000e+00 5.3501e-01 1.0622e-01 5.3653e-03 4.6167e-02 -6.0000e+00 5.8176e-01 -7.6352e-02 5.9652e-03 1.8029e-02 -6.0000e+00 3.4565e-01 1.6902e-02 2.8387e-03 1.0250e-02 -6.0000e+00 1.4682e-01 1.1347e-03 -1.1713e-03 5.7420e-05 7.3950e-05 -6.0000e+00 1.0144e-02 4.4396e-03 0.0000e+00 11 8 0 10 0 0 24.30 18.43 0.27 0.00444 -0.00436 290 62 2 8 0 170.210 15.06 18.43 7.74 20.87 20.87 11.0 859.55 -102719 -190338 44252 -144185 19109 -154446 -38632 -147799 -111459 -96241 -129661 -96387 -113171 -42501 -57678 19129 -29628 37336 -32094 -13786 -45955 -14450 -29836 -37952 -21496 -24509 -3625 -39725 -5799 -36127 -5079 -16088 5187 -5525 -2502 -10268 -12321 1261 -2285 2548 -5279 5730 -3911 1868 442 6562 1775 2637 1508 1105 4141 2437 5757 157 2087 -40 2754 -1931 2470 -750 1833 1855 2545 2424 121 3300 756 1849 1991 1909 428 915 -1090 595 -342 -290 -541 -1540 1042 -861 323 -1592 -1453 -1880 -520 -1214 -511 -897 -304 -73 761 904 253 1433 517 547 309 672 -651 -87 77 13 1134 114 -1420 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