File name: Pandora159s1_Wakkerstroom_20210221_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T024524.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: B. Scholes Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora159_OF_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20210221_L1_smca1c3d20201207p1-8.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: 20210221 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: None First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0731 305.2139 305.3547 305.4955 305.6363 305.7770 305.9178 306.0585 306.1992 306.3399 306.4806 306.6213 306.7620 306.9026 307.0433 307.1839 307.3246 307.4652 307.6058 307.7464 307.8869 308.0275 308.1681 308.3086 308.4492 308.5897 308.7302 308.8707 309.0112 309.1517 309.2921 309.4326 309.5730 309.7135 309.8539 309.9943 310.1347 310.2751 310.4155 310.5558 310.6962 310.8365 310.9769 311.1172 311.2575 311.3978 311.5381 311.6784 311.8186 311.9589 312.0991 312.2393 312.3795 312.5198 312.6599 312.8001 312.9403 313.0805 313.2206 313.3607 313.5009 313.6410 313.7811 313.9212 314.0612 314.2013 314.3414 314.4814 314.6214 314.7615 314.9015 315.0415 315.1814 315.3214 315.4614 315.6013 315.7413 315.8812 316.0211 316.1610 316.3009 316.4408 316.5807 316.7205 316.8604 317.0002 317.1400 317.2798 317.4196 317.5594 317.6992 317.8389 317.9787 318.1184 318.2582 318.3979 318.5376 318.6773 318.8170 318.9566 319.0963 319.2359 319.3756 319.5152 319.6548 319.7944 319.9340 320.0736 320.2131 320.3527 320.4922 320.6318 320.7713 320.9108 321.0503 321.1898 321.3292 321.4687 321.6081 321.7476 321.8870 322.0264 322.1658 322.3052 322.4446 322.5839 322.7233 322.8626 323.0019 323.1413 323.2806 323.4199 323.5591 323.6984 323.8377 323.9769 324.1162 324.2554 324.3946 324.5338 324.6730 324.8121 324.9513 --------------------------------------------------------------------------------------- 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: 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 77: 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 78: 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 79: 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 80: 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 81: 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 82: Atmospheric variability [%], 999=no atmospheric variability was determined Column 83: Wavelength effective temperature [°C], 999=no effective temperature given Column 84: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 85: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 86: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 87: Number of bright count cycles Column 88: Number of dark count cycles Column 89: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 90: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 91: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 92: Integration time [ms] Column 93: Spectrometer control temperature [°C], 999=no temperature signal Column 94: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 95: Temperature in head sensor [°C], 999=no temperature signal Column 96: Temperature at electronics board 1 [°C], 999=no temperature signal Column 97: Temperature at electronics board 2 [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20210221T041246.1Z 7722.175533 29 1 50.15 2 85.27 99.37 168.23 251.23 0.00 1 0.00 1 0 25 6.801e-01 3.677e-02 4.792e-01 3.022e-02 9.641644e-01 2.059727e-02 9.355191e-03 -6.000000e+00 4.400144e-01 227.64 -2.00 3.06 -2.00 322.53 0.00e+00 3.602096e-02 1.392429e-02 2.937074e-02 -6.000000e+00 5.681370e-02 282.61 -2.00 20.00 -2.00 322.11 0.00e+00 10.258 0.006 302.00 328.00 3 6.6526e-01 8.9826e-02 2.3202e-01 -6.0000e+00 1.1358e+00 1.1270e+00 1.2533e-01 2.8555e-01 -6.0000e+00 1.2597e+00 -1.2233e+00 1.2075e-01 5.0832e-02 -6.0000e+00 7.0936e-01 4.6786e-01 5.4109e-02 4.6299e-02 -6.0000e+00 3.0018e-01 2.0498e-05 -3.4774e-03 9.3123e-04 1.2458e-04 -6.0000e+00 2.1784e-02 3.6430e-03 12 9 8 11 8 0 26.41 19.43 1.20 0.00364 -0.02249 29 6 4 8 0 1729.030 14.99 19.43 17.51 21.69 21.69 15.7 894.42 -164771 900000 -119505 900000 -46915 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 -167055 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 -46512 900000 900000 900000 120868 900000 48840 900000 900000 900000 900000 900000 362908 238304 88626 900000 45819 86448 900000 127454 900000 26991 900000 117897 900000 -40693 115323 44752 81703 900000 31379 104337 106399 155696 39403 136011 70563 3490 14445 28911 25085 19437 11987 18214 44589 -45706 17703 23704 43776 -3471 -1828 7718 7925 -8827 8810 -5425 -15452 2513 1419 5954 7621 14951 -334 2909 -12144 10088 -5340 2119 -2173 2165 5703 2628 -1510 -11839 3496 -2368 8851 -5576 2549 -5097 -362 -2065 -4226 3246 2661 3721 -4448 3084 -3993 -2575 -703 2489 -2378 6057 4567 1210 3152 1593 1791 882 904 377 527 -1164 -995 1379 129 -1119 1801 -41 -801 -2333 -4804 900000 -3484 900000 -1368 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 -7563 900000 900000 900000 900000 900000 900000 900000 900000 900000 900000 -1356 900000 900000 900000 3524 900000 1424 900000 900000 900000 900000 900000 10581 6948 2584 900000 1336 2520 900000 3716 900000 1283 900000 3437 900000 -3943 3362 1724 2382 900000 1662 3206 3787 4539 3043 4109 4253 446 1894 3592 3299 2615 1587 2025 3402 -7995 1789 2705 5128 -777 -466 1984 2148 -2961 2618 -1934 -6229 851 471 1776 2104 3782 -105 1042 -6103 4951 -3610 1501 -1640 1481 3323 1389 -804 -7408 1999 -1517 5563 -4560 2255 -5583 -418 -2503 -5215 3594 2899 4080 -5571 3814 -5434 -3368 -851 2770 -2698 6182 4598 1228 3351 2025 2685 1514 1701 763 1147 -2755 -2475 3406 328 -2859 4286 -92 -1657 -4662 SS 20210221T042646.9Z 7722.185265 32 1 51.86 2 82.19 97.81 170.98 243.57 0.00 1 0.00 1 0 25 4.540e-01 8.545e-03 2.545e-01 3.169e-03 7.111970e-01 1.716197e-03 6.878832e-03 -6.000000e+00 2.589945e-01 227.64 -2.00 3.06 -2.00 321.59 0.00e+00 5.385652e-03 9.235681e-04 1.929495e-03 -6.000000e+00 1.156178e-02 282.61 -2.00 20.00 -2.00 321.07 0.00e+00 6.873 0.002 302.00 328.00 3 5.2409e-01 6.2650e-03 6.6618e-02 -6.0000e+00 6.4287e-01 1.4192e-01 9.2000e-03 4.0733e-02 -6.0000e+00 6.9879e-01 -1.3909e-01 9.7726e-03 1.8035e-02 -6.0000e+00 4.1528e-01 4.3456e-02 4.5154e-03 9.1224e-03 -6.0000e+00 1.7595e-01 5.6769e-04 -1.0894e-03 8.8068e-05 7.9616e-05 -6.0000e+00 1.2146e-02 2.8719e-03 11 8 0 10 0 0 -2.27 19.43 0.23 0.00287 -0.00531 199 43 4 8 0 248.110 14.99 19.43 18.78 21.69 21.58 15.7 901.79 -189657 -33258 -228439 -42129 -240081 900000 -201173 -43301 -194826 5114 -39447 -1225 -106149 -812 -5456 -81938 29099 -86576 -13795 -48276 39834 -66773 32532 -45660 -3311 -44249 -33435 -25033 -36699 -11244 -23182 17128 -11656 15003 -24775 25167 -20191 22103 -3205 8658 -3603 -3173 5232 -6123 8726 -7787 11837 -7074 11449 -2122 7016 2295 9238 5141 3460 6351 -1586 3502 -2241 7067 302 7589 -884 7141 2198 5075 2287 4804 3460 2067 2185 623 2151 -1527 1990 -2086 772 -1464 1821 -784 230 -817 -1391 -399 -1559 -52 -1614 -341 -829 686 192 811 -234 793 -232 448 1192 -1 -626 -782 351 -749 1324 -324 -1678 -1328 -429 -1077 -341 141 -884 154 -344 821 27 1193 502 458 -439 -406 -599 206 93 -407 1048 128 1804 817 419 -32 512 78 259 191 -267 -322 -87 -80 -650 150 -131 105 152 -1279 -103 -2952 -130 -3169 900000 -1921 -134 -2244 16 -122 -4 -894 -4 -29 -1151 171 -1654 -139 -732 283 -1257 261 -795 -41 -870 -601 -408 -680 -180 -514 313 -334 354 -842 516 -720 621 -143 411 -219 -208 334 -452 569 -619 801 -608 868 -184 623 242 1004 635 462 862 -240 500 -329 933 44 1157 -169 1434 493 1091 502 1071 875 614 715 215 722 -499 571 -559 189 -377 518 -275 94 -388 -731 -220 -930 -33 -1081 -232 -564 442 116 457 -129 451 -151 339 1045 -1 -704 -883 366 -704 1109 -278 -1568 -1310 -443 -1201 -417 194 -1373 253 -569 1300 41 1712 732 701 -720 -691 -1005 328 142 -608 1485 176 2364 1134 666 -58 1024 155 540 424 -640 -813 -223 -208 -1701 375 -306 229 348 SS 20210221T043308.9Z 7722.189686 35 1 51.78 2 80.79 97.10 172.16 238.52 0.00 1 0.00 1 0 25 2.745e-01 5.885e-03 1.244e-01 1.851e-03 6.327412e-01 9.841934e-04 6.266564e-03 -6.000000e+00 1.557234e-01 227.64 -2.00 3.06 -2.00 321.21 0.00e+00 2.339295e-03 4.658116e-04 2.002859e-03 -6.000000e+00 6.904811e-03 282.61 -2.00 20.00 -2.00 320.63 0.00e+00 5.942 0.001 302.00 328.00 3 5.4270e-01 3.3318e-03 5.7733e-02 -6.0000e+00 3.8687e-01 4.7657e-02 4.5982e-03 3.4630e-02 -6.0000e+00 4.2044e-01 -3.1517e-02 4.7538e-03 1.5491e-02 -6.0000e+00 2.5045e-01 1.8365e-03 2.2760e-03 5.9170e-03 -6.0000e+00 1.0635e-01 1.2595e-03 -8.8897e-04 5.2529e-05 5.7414e-05 -6.0000e+00 7.3399e-03 2.9276e-03 10 0 0 10 0 0 82.08 19.42 0.27 0.00293 -0.00375 297 64 2 8 0 165.940 15.00 19.42 19.44 21.69 21.69 15.8 905.93 -50388 -39622 -111744 -116503 -141643 -52576 -144166 -37535 -97956 -1027 -87557 -26627 -55551 -12400 -33236 -8687 -12013 -30350 -21643 -24166 -5990 -22694 -7801 -24056 -1014 -18250 -8545 -17470 -18668 -5438 -6880 391 -5840 -3861 -6822 10235 -6922 3241 -3474 -2336 -3722 -185 -1167 -599 -2022 -2149 4120 -1360 2221 -173 3020 813 4417 1554 1641 440 103 -1161 438 454 954 2741 1211 2271 -60 2426 1237 2450 981 962 270 -409 -196 -502 -87 -217 930 611 1542 -691 -8 -772 -1561 -1216 -1026 -916 -723 -537 -283 472 752 1064 697 1907 681 591 803 255 -496 -263 -78 -238 1198 431 -1305 -1055 -571 -689 -366 -315 -416 -348 95 307 505 1157 590 482 -139 -692 -884 -13 -281 -140 552 213 1216 1354 485 69 131 150 79 275 -404 -454 53 -2 -451 -138 66 55 273 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