File name: Pandora159s1_Wakkerstroom_20230913_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20230915T032218.4Z 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_20230913_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: 20230913 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 20230913T045543.3Z 8656.205362 54 1 49.54 2 78.54 79.46 71.15 59.65 0.00 1 0.00 1 0 25 1.839e-01 8.401e-03 2.187e-01 5.151e-03 5.738230e-01 2.733701e-03 5.766668e-03 -6.000000e+00 1.047239e-01 227.43 -2.00 3.06 -2.00 320.88 0.00e+00 2.775322e-03 1.128717e-03 1.829842e-03 -6.000000e+00 4.746054e-03 277.35 -2.00 20.00 -2.00 320.35 0.00e+00 4.872 0.001 302.00 328.00 3 3.0162e+00 8.5800e-03 4.8748e-02 -6.0000e+00 2.6089e-01 5.8293e-02 1.1245e-02 3.0646e-02 -6.0000e+00 2.8410e-01 -1.4032e-02 1.1409e-02 1.3829e-02 -6.0000e+00 1.6802e-01 -6.8687e-03 5.6458e-03 5.1702e-03 -6.0000e+00 7.1240e-02 2.4924e-04 -1.1797e-03 1.5000e-04 4.9134e-05 -6.0000e+00 4.9899e-03 4.1240e-03 11 9 0 11 8 0 99.97 18.65 0.39 0.00412 -0.00474 64 14 4 8 0 773.780 15.00 18.65 10.30 21.06 20.96 24.6 816.33 48285 -118281 900000 -48181 900000 -78919 18773 -9185 900000 -40579 40021 -77177 -46657 -25427 -50818 -30092 -29398 -5175 -14897 5677 6630 -27477 2334 13728 -1311 -4639 6448 -16257 16997 22426 -14112 -9512 -5467 -6 -4459 -4718 -858 9388 1236 3712 -9513 854 -7257 6072 7136 -5166 899 1762 2383 4032 489 1028 303 2720 -394 749 642 969 -1678 -4226 6016 -1272 2275 654 1326 2592 1366 2112 1080 1317 624 -1414 -393 450 -1175 2131 -794 2543 408 368 123 -2011 -1320 -1878 -350 -783 -775 -9 -108 -13 874 1772 1819 2210 831 968 -308 1001 -1308 -110 -33 -23 1600 907 -2231 -1298 -569 -1305 -340 -522 151 -311 36 -63 425 1233 985 1150 -250 -1136 -1274 144 -110 -265 340 512 1563 2187 397 119 -288 109 192 485 -184 -453 317 -278 -607 -522 276 29 424 242 -1514 900000 -329 900000 -663 94 -49 900000 -359 201 -1145 -639 -363 -1138 -650 -709 -109 -371 124 147 -846 57 326 -39 -150 190 -578 439 586 -609 -463 -293 0 -241 -256 -49 581 101 350 -1136 99 -956 723 853 -714 119 238 332 587 81 189 61 581 -91 178 157 236 -410 -1046 1402 -349 678 221 463 865 450 706 401 558 293 -702 -192 207 -504 801 -286 887 161 170 66 -1242 -882 -1333 -260 -623 -650 -8 -92 -11 664 1244 1218 1504 632 840 -309 1119 -1610 -133 -37 -24 1503 870 -2368 -1443 -660 -1613 -449 -763 238 -518 59 -100 631 1738 1396 1704 -398 -1891 -2115 229 -170 -396 486 705 2055 2952 602 202 -530 210 381 1009 -409 -1058 751 -672 -1474 -1227 610 61 866 SS 20230913T050220.4Z 8656.209958 57 1 49.90 2 77.09 78.64 69.90 58.66 0.00 1 0.00 1 0 25 3.152e-01 3.052e-02 3.543e-01 1.834e-02 4.823052e-01 9.536529e-03 4.819758e-03 -6.000000e+00 1.790407e-01 227.43 -2.00 3.06 -2.00 320.54 0.00e+00 2.458164e-03 3.538806e-03 3.484532e-04 -6.000000e+00 8.672448e-03 277.36 -2.00 20.00 -2.00 319.99 0.00e+00 4.364 0.000 302.00 328.00 3 5.0520e+00 2.8907e-02 4.1766e-02 -6.0000e+00 4.4591e-01 -1.0942e-02 3.5952e-02 2.2678e-02 -6.0000e+00 4.8556e-01 3.2068e-02 3.3679e-02 1.1399e-02 -6.0000e+00 2.8732e-01 -1.0306e-02 1.7101e-02 4.3991e-03 -6.0000e+00 1.2203e-01 5.4773e-05 -5.0994e-04 5.4739e-04 4.3973e-05 -6.0000e+00 8.5842e-03 2.5626e-03 12 8 8 10 0 0 99.99 18.65 0.84 0.00256 -0.00127 35 8 1 8 0 1423.370 15.00 18.65 10.59 21.06 20.96 24.7 817.69 174046 -105731 49837 -69345 900000 -82443 -49564 -64985 22055 900000 900000 -58364 -81707 97996 98390 33884 -38942 9536 1594 959 -34702 27430 27703 -15716 50385 -21943 78686 -27603 120789 -25516 22418 31686 60228 5951 5235 -2610 14353 20496 1075 11401 -5710 14240 -14772 22823 -9017 10659 -4236 7270 -2280 -8434 -2046 -5693 4569 -10572 21983 -2552 73 -3355 13144 3107 1057 -5777 -7886 3152 -1118 -344 -611 5241 1339 -2458 -3483 2905 -1199 5269 -426 -1201 9326 -2157 8459 15 4960 -2816 2259 -5857 270 -335 570 1361 -1512 1889 -238 5089 1591 5967 -2396 6754 2620 2525 -226 1179 -2576 -1557 3594 2314 2247 -10 -17795 -1182 1329 877 532 -1865 -3484 759 536 1048 748 2437 -1527 1210 848 1079 594 2345 2657 3472 -264 1876 2251 413 27 -1517 1433 -1390 1049 -1916 462 -363 -286 -723 -420 290 527 3111 -2388 891 -1240 900000 -1474 -886 -1162 394 900000 900000 -1317 -2776 1752 1759 668 -1681 282 54 35 -1814 804 843 -776 1435 -1298 1829 -1684 2159 -1571 1003 1495 2446 423 360 -192 988 1579 120 1361 -889 1958 -2801 3098 -1674 1671 -775 1208 -426 -1745 -434 -1385 1088 -3118 4977 -759 22 -1028 3366 873 313 -2005 -3120 1234 -467 -137 -235 1919 558 -1216 -1911 1559 -664 2614 -207 -530 3429 -882 3424 7 2756 -1894 1563 -4640 215 -286 509 1241 -1421 1650 -198 3726 1139 4139 -1974 5777 2635 2866 -282 1440 -3062 -1669 3418 2281 2387 -11 -25412 -1528 1796 1307 858 -3195 -5961 1190 784 1454 1043 3501 -2434 1964 1392 1717 922 3443 3737 4655 -351 2508 3310 681 48 -2855 2709 -2845 2222 -4397 1059 -855 -672 -1661 -912 595 1053 SS 20230913T052324.2Z 8656.224586 67 1 10.80 2 72.53 75.95 66.02 55.32 0.00 1 0.00 1 0 25 3.092e-02 6.788e-03 2.209e-02 2.355e-03 3.960625e-01 1.180345e-03 4.101810e-03 -6.000000e+00 1.752535e-02 227.43 -2.00 3.06 -2.00 319.00 0.00e+00 1.777532e-04 2.724984e-04 1.808695e-04 -6.000000e+00 7.610945e-04 277.36 -2.00 20.00 -2.00 318.37 0.00e+00 3.285 0.000 302.00 328.00 3 2.5614e+00 3.2467e-03 3.2137e-02 -6.0000e+00 4.3594e-02 2.3652e-02 3.7408e-03 1.7955e-02 -6.0000e+00 4.7428e-02 2.1849e-04 2.7537e-03 8.8823e-03 -6.0000e+00 2.8169e-02 -7.2574e-03 1.4556e-03 2.5300e-03 -6.0000e+00 1.1910e-02 1.7086e-03 -5.5329e-04 6.7147e-05 2.7230e-05 -6.0000e+00 8.2670e-04 2.7095e-03 12 9 1 12 1 1 99.99 18.65 0.16 0.00271 -0.00145 41 43 1 8 0 247.180 15.00 18.65 11.14 21.06 20.96 24.6 819.93 -1134 -19121 -899 -21542 13030 -1087 -1788 1795 2735 -6015 -4067 479 -6868 -1438 -5096 133 -344 -278 -3499 2320 -3099 -2087 -610 174 -829 -2168 1703 -2777 2233 -380 2846 -616 1974 -3416 -37 -44 -1258 -1261 -1023 -1528 -1945 -331 -2058 -20 -478 -129 -633 -179 -194 972 2166 210 1495 517 455 284 822 -430 1068 765 1701 2206 937 884 -2 1122 389 1069 1225 299 -159 -148 -245 -376 -190 555 495 528 1107 -35 -737 -1252 -1946 -1270 -1061 -935 -338 -678 14 -402 410 868 676 2427 1361 501 582 375 -901 -114 -572 -266 624 363 -1323 -833 -567 -749 328 -186 -107 -445 -84 191 593 1178 867 653 92 -789 -1061 5 -337 -58 451 422 1220 1548 510 262 265 -101 178 250 -248 -607 175 -144 -418 -176 59 -224 61 -33 -745 -30 -844 338 -31 -56 62 105 -267 -180 22 -386 -91 -392 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