File name: Pandora159s1_Wakkerstroom_20231008_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20231009T021132.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Refilwe Kai Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20231008_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: 20231008 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 20231008T042548.8Z 8681.184593 133 1 48.01 2 78.78 90.73 54.25 14.64 0.00 1 0.00 1 0 17 4.442e-01 9.759e-02 4.245e-01 3.897e-02 4.680699e-01 2.107760e-02 8.683725e-03 -6.000000e+00 2.630919e-01 227.93 -2.00 3.06 -2.00 321.14 0.00e+00 1.285579e-02 8.716683e-03 1.019821e-02 -6.000000e+00 1.222856e-02 278.22 -2.00 20.00 -2.00 320.59 0.00e+00 4.969 0.001 302.00 328.00 3 4.7867e+00 6.7877e-02 6.1885e-02 -6.0000e+00 6.6004e-01 -5.0884e-02 8.4988e-02 5.5983e-02 -6.0000e+00 7.2259e-01 -3.8224e-01 7.0952e-02 3.0629e-02 -6.0000e+00 4.2274e-01 2.4920e-01 3.4958e-02 1.0019e-02 -6.0000e+00 1.7781e-01 5.0363e-05 9.7178e-05 1.2532e-03 2.5814e-04 -6.0000e+00 1.2818e-02 -1.7531e-03 12 8 8 10 0 0 99.96 19.91 1.05 -0.00175 -0.00102 12 3 3 8 0 4000.000 14.99 19.91 18.54 22.09 21.88 25.7 856.53 -64512 900000 -122564 900000 -118220 900000 -19584 900000 900000 -66210 77729 -123414 900000 36988 -17261 900000 7904 900000 -62459 35451 -6401 141244 40634 900000 -16752 -10018 -97497 900000 48051 900000 -8683 113344 35575 900000 -11138 900000 900000 210038 154018 23188 36313 -23475 68980 62798 22556 -31850 32332 900000 -17929 23297 93005 101451 30397 13006 34525 69844 18666 255 25181 -5897 5365 11789 53297 -14525 30807 31985 11759 21546 19547 16992 9284 -8138 -1045 6595 -23176 39306 -19827 -1897 12790 30177 -93 -9152 -3862 7204 -4744 -3735 10951 10681 1641 7703 2538 3628 2527 -6666 7527 2506 2130 -8536 -8909 4078 -7239 4992 3701 6923 4353 3462 -36373 -1906 10728 6351 6948 4031 -2024 -886 -3682 1127 3458 -3794 -433 2683 4213 -2712 6991 9463 6369 -806 4574 9623 -737 3022 -855 81 -4083 -959 -2043 -6445 -1374 42387 -2718 -1845 -2335 -2852 -2824 -2444 900000 -7606 900000 -5804 900000 -742 900000 900000 -2509 2945 -6739 900000 1401 -654 900000 299 900000 -5070 1343 -314 5351 1540 900000 -871 -492 -10943 900000 1821 900000 -503 4294 1740 900000 -828 900000 900000 7958 5835 1997 2997 -3614 4617 4602 2490 -6074 3399 900000 -3155 2872 6374 7018 4414 2369 5266 7730 3399 55 4186 -1335 1150 2619 8934 -5162 7289 7172 3073 5158 5203 5294 3410 -3670 -438 2452 -10615 8955 -7412 -598 3875 9038 -43 -5207 -2257 4000 -3171 -2655 7163 7260 1227 5276 1709 2247 1497 -4358 4742 1900 1857 -9380 -10650 4293 -8000 4466 3147 5858 4089 3506 -57223 -2284 12278 8383 9875 6156 -3222 -1331 -5338 1487 4521 -5600 -663 4208 6585 -4432 10099 12934 8609 -1124 5822 11988 -1122 4911 -1555 151 -8252 -1976 -4531 -15685 -3251 67019 -6633 -4334 -5220 -6091 -5846 SS 20231008T052327.1Z 8681.224619 160 1 48.01 2 65.99 83.91 52.65 358.83 0.00 1 0.00 1 0 25 1.574e-01 4.013e-02 2.096e-01 3.892e-02 3.203197e-01 1.955119e-02 3.447892e-03 -6.000000e+00 8.943913e-02 227.93 -2.00 3.06 -2.00 318.60 0.00e+00 2.876383e-03 3.927814e-03 2.333514e-04 -6.000000e+00 3.890132e-03 278.23 -2.00 20.00 -2.00 317.95 0.00e+00 2.441 0.000 302.00 328.00 3 7.5961e+00 5.2885e-02 2.4846e-02 -6.0000e+00 2.2268e-01 1.5342e-01 6.0422e-02 1.5398e-02 -6.0000e+00 2.4208e-01 -2.1404e-02 4.0043e-02 7.3985e-03 -6.0000e+00 1.4380e-01 -6.8294e-03 2.0528e-02 3.3516e-03 -6.0000e+00 6.0825e-02 2.2265e-05 -4.8149e-04 1.1351e-03 3.1246e-05 -6.0000e+00 4.2086e-03 -1.5991e-03 12 9 8 11 8 0 79.68 19.90 3.17 -0.00160 -0.00522 12 3 2 8 0 4000.000 15.00 19.90 20.92 22.09 21.88 25.8 868.20 -22880 -3510 -19437 -10754 -16762 20950 11827 -67754 -7915 -71395 -13630 -21549 -5847 3907 44675 25211 27489 7424 63747 33288 38309 22475 -4013 -3514 -3617 33106 -13445 5913 4371 23943 -7144 7148 -17607 -38362 34496 2792 -1141 4909 26748 -1240 6162 32746 26751 15699 -6351 5581 -14472 24294 -15985 15306 1998 4234 -622 -1168 832 3536 4834 -7319 3894 -5726 -8243 -6548 15018 -2326 -3265 4254 2296 14406 6089 5849 2679 -4610 -2029 6735 -1431 -2204 -10113 5866 -7329 1530 2171 -989 6523 -2203 -3007 -3248 5271 -3089 -1193 -2355 -2356 6874 3061 -2416 -5081 1729 -1649 -4536 783 3056 393 313 -4911 372 1185 670 6089 -5777 1378 -1687 984 927 -351 -2576 4196 -731 715 -3613 675 -2120 1567 2673 -615 1248 280 2849 -536 2598 1956 3879 4255 -54 -810 151 -1578 482 213 -1188 -1467 -1930 2612 -2858 875 -1668 -236 -1560 -749 -1114 929 601 -8171 -594 -10196 -1120 -1998 -534 384 3452 2604 2941 1010 5308 3829 4297 2891 -676 -618 -669 4440 -2801 975 697 3193 -1383 1330 -4535 -12379 5225 558 -258 1217 6395 -449 2261 9747 8719 5761 -2899 2279 -7103 8067 -7776 5569 877 1958 -319 -634 458 1930 2639 -4473 2086 -3350 -5106 -4289 8721 -1714 -2436 2759 1409 7706 3780 4129 2130 -4078 -1744 5093 -1086 -1515 -6804 3252 -4884 1060 1682 -874 5711 -2202 -3229 -3737 5867 -3844 -1453 -2801 -2589 6328 2683 -2192 -5021 1775 -1957 -6127 1068 4036 497 363 -5630 416 1422 854 7668 -8574 2010 -2712 1633 1574 -583 -4099 5751 -988 952 -5217 999 -3422 2480 4124 -950 1822 391 3715 -685 3250 2652 5557 6422 -87 -1349 260 -2909 919 417 -2406 -2990 -3848 4784 -5285 1524 SS 20231008T053217.4Z 8681.230757 164 1 7.61 2 64.04 82.79 52.71 356.36 0.00 1 0.00 1 0 17 2.572e-02 9.781e-03 2.234e-02 5.958e-03 2.951543e-01 2.981849e-03 3.128798e-03 -6.000000e+00 1.461135e-02 227.93 -2.00 3.06 -2.00 317.58 0.00e+00 -2.080443e-04 4.561221e-04 9.364562e-05 -6.000000e+00 6.355213e-04 278.23 -2.00 20.00 -2.00 316.92 0.00e+00 2.272 0.000 302.00 328.00 3 4.7979e+00 7.9106e-03 2.2814e-02 -6.0000e+00 3.6378e-02 2.3901e-02 8.9150e-03 1.3344e-02 -6.0000e+00 3.9548e-02 -8.0048e-05 5.5059e-03 6.5799e-03 -6.0000e+00 2.3492e-02 -6.6418e-03 2.7702e-03 1.8508e-03 -6.0000e+00 9.9366e-03 4.6861e-04 -3.7874e-04 1.6902e-04 2.0724e-05 -6.0000e+00 6.8755e-04 -1.4953e-03 12 9 9 12 1 1 999.00 19.90 0.48 -0.00150 -0.00434 2 4 1 8 0 2478.450 15.00 19.90 21.12 22.09 21.88 25.9 869.73 -1590 9042 -10522 2633 -7881 7997 -4104 10881 6184 -7133 -2227 1577 3213 -400 4196 -4143 4792 -3204 -2346 -1090 2393 -104 2293 -973 -1365 1706 -4161 2683 -5647 2347 1289 4844 730 1664 -1537 3019 -1210 2384 -2497 -1637 -892 -2404 -897 -2316 511 -4 1868 568 -309 -1211 -1808 2273 -312 783 277 2456 -31 2289 12 1748 885 -717 -103 -109 -573 -259 282 1018 2080 444 360 -98 1369 -51 -1235 -192 1397 2063 1883 598 -1377 -756 -2538 -896 -1845 -433 -1143 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