File name: Pandora159s1_Wakkerstroom_20220104_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T035328.5Z 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 v1.8.75 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20220104_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: 20220104 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 20220104T035245.7Z 8039.161640 50 1 49.58 2 82.16 111.58 99.74 122.71 0.00 1 0.00 1 0 17 5.160e-01 1.894e-02 3.861e-01 9.949e-03 7.667783e-01 5.676488e-03 7.418001e-03 -6.000000e+00 2.994474e-01 227.71 -2.00 3.06 -2.00 321.75 0.00e+00 8.106940e-03 3.100756e-03 1.586218e-03 -6.000000e+00 1.441139e-02 282.06 -2.00 20.00 -2.00 321.24 0.00e+00 6.852 0.002 302.00 328.00 3 2.2931e+00 2.1050e-02 6.8222e-02 -6.0000e+00 7.4883e-01 3.1037e-01 3.1272e-02 4.4668e-02 -6.0000e+00 8.1803e-01 -3.0045e-01 3.3009e-02 2.0499e-02 -6.0000e+00 4.8130e-01 1.0439e-01 1.5142e-02 1.1826e-02 -6.0000e+00 2.0318e-01 8.6308e-05 -1.5881e-03 2.8138e-04 1.1197e-04 -6.0000e+00 1.3969e-02 -4.2812e-03 12 8 8 10 0 0 99.07 19.14 0.28 -0.00428 -0.01621 29 6 4 8 0 1709.070 15.00 19.14 22.46 21.48 21.38 19.5 901.61 900000 -120900 -79981 -200526 -184199 900000 -262878 -155666 900000 900000 27040 -156565 -110940 -91201 -109696 -19702 131751 900000 900000 48287 900000 -39893 900000 88541 900000 -90362 -65364 120873 -116297 90719 -12367 61192 4970 -4759 -30632 10288 54086 -21825 -16805 -5038 -10000 -15351 -1492 -4042 17853 -4296 14897 -7654 22427 10449 16797 14304 23484 12025 -5686 -2624 8861 25574 4345 7775 -10093 6372 1276 5076 6422 6855 8748 2562 13833 -710 6983 499 6533 1243 2624 -1994 2626 -4226 3072 61 1221 1993 -5116 3024 -4710 373 -2721 177 -5662 996 213 672 1761 581 293 -3036 1829 526 -2482 -1279 1377 -890 1055 -3960 -2523 -2499 17834 -1700 -1912 -223 -1246 -239 -921 541 -139 1329 1161 1264 437 -60 -638 47 173 -929 371 -854 2736 1358 271 -875 -85 136 371 603 -95 -260 18 -271 -348 -199 126 166 -98 900000 -1171 -775 -2050 -1784 900000 -4578 -1508 900000 900000 262 -1559 -1075 -883 -1615 -191 1276 900000 900000 468 900000 -559 900000 858 900000 -2501 -1454 1171 -4223 879 -230 696 114 -129 -1028 230 861 -846 -749 -238 -557 -971 -88 -252 925 -284 851 -571 1335 758 1285 1263 2091 1303 -772 -359 1113 2722 550 932 -1489 892 215 944 1267 1340 1676 541 2904 -198 1994 157 1920 360 682 -488 578 -1020 791 19 452 843 -2554 1486 -2645 211 -1673 109 -3670 585 118 348 877 306 175 -2193 1468 493 -2629 -1360 1341 -793 834 -3260 -2195 -2302 14208 -1751 -2173 -284 -1791 -364 -1431 812 -199 1813 1595 1817 671 -95 -1009 71 249 -1307 500 -1128 3386 1771 407 -1520 -162 276 792 1361 -231 -666 45 -712 -915 -506 299 368 -210 SS 20220104T042307.3Z 8039.182723 66 1 49.54 2 75.83 108.54 94.24 118.97 0.00 1 0.00 1 0 25 1.615e-01 8.949e-03 1.177e-01 4.299e-03 4.742133e-01 2.215861e-03 4.863783e-03 -6.000000e+00 9.174750e-02 227.71 -2.00 3.06 -2.00 320.35 0.00e+00 7.057673e-03 7.915202e-04 1.588636e-03 -6.000000e+00 4.056317e-03 282.06 -2.00 20.00 -2.00 319.71 0.00e+00 3.999 0.000 302.00 328.00 3 3.4922e+00 6.6738e-03 4.1012e-02 -6.0000e+00 2.2802e-01 4.2309e-02 8.2220e-03 2.8868e-02 -6.0000e+00 2.4773e-01 -2.0307e-02 7.2701e-03 1.1457e-02 -6.0000e+00 1.4751e-01 2.3008e-03 3.7068e-03 9.0667e-03 -6.0000e+00 6.2666e-02 3.4100e-04 -1.0066e-03 1.2535e-04 6.1551e-05 -6.0000e+00 4.3185e-03 -3.8139e-03 11 9 0 11 8 0 99.96 19.13 0.37 -0.00381 -0.01138 91 20 4 8 0 544.290 15.00 19.13 23.34 21.48 21.48 19.4 905.58 -88444 21638 -26710 18897 -22354 -56950 53539 -70121 52626 -69816 28588 -50931 9022 -39937 12077 -11103 -2360 10953 1130 105 -2367 4016 -6140 12084 -16912 12714 -8834 5456 -5106 1249 -7714 3686 9668 -5272 2560 -4537 9420 -5172 6865 -5330 1246 -4986 4490 -2068 984 830 295 2270 -1462 2839 891 6176 -3415 5400 -495 2358 -166 -13 2711 1888 1354 517 2739 -645 1680 -794 2566 -1536 2480 -530 324 -1329 -83 364 84 1384 -1630 1720 -2085 642 -2187 -432 -3150 -861 -836 -957 -858 -1141 473 -563 1925 416 2683 864 2183 536 1251 791 -340 -149 -131 266 122 1491 -1757 -692 -1250 -234 -502 196 -223 -361 49 -117 744 435 1233 -297 266 -1633 -957 -412 169 -218 936 386 1034 1801 314 383 -8 704 21 490 -401 -20 -130 -47 -622 -126 -88 -386 518 -1969 198 -407 183 -292 -991 344 -1599 416 -1832 304 -1255 155 -1356 309 -411 -89 395 48 5 -112 178 -305 532 -1029 607 -523 275 -282 69 -530 263 735 -489 211 -393 775 -572 809 -825 200 -907 784 -398 187 162 59 450 -307 595 207 1498 -977 1517 -153 731 -54 -4 830 582 437 184 1066 -285 754 -349 1044 -652 1100 -275 183 -794 -49 203 44 642 -716 723 -989 343 -1376 -300 -2425 -683 -703 -862 -812 -1116 457 -531 1660 337 1995 653 1779 500 1316 937 -436 -191 -158 292 124 1524 -1996 -820 -1563 -306 -702 298 -365 -615 82 -187 1104 615 1737 -443 418 -2748 -1610 -674 267 -335 1362 543 1387 2441 473 633 -15 1297 40 973 -848 -44 -295 -108 -1440 -283 -188 -795 1030 SS 20220104T042953.0Z 8039.187419 69 1 51.58 2 74.41 107.89 92.98 118.18 0.00 1 0.00 1 0 25 3.294e-02 6.286e-03 6.841e-03 4.550e-04 4.331319e-01 2.319308e-04 4.499267e-03 -6.000000e+00 1.871204e-02 227.71 -2.00 3.06 -2.00 319.64 0.00e+00 4.751255e-03 6.670313e-05 7.480978e-04 -6.000000e+00 8.272552e-04 282.06 -2.00 20.00 -2.00 318.97 0.00e+00 3.655 0.000 302.00 328.00 3 2.6423e-01 6.6225e-04 3.6183e-02 -6.0000e+00 4.6504e-02 3.1633e-02 7.8392e-04 2.2265e-02 -6.0000e+00 5.0523e-02 -1.5189e-02 6.3299e-04 1.0214e-02 -6.0000e+00 3.0085e-02 -1.2598e-03 3.3233e-04 6.0686e-03 -6.0000e+00 1.2782e-02 1.1993e-02 -7.4393e-04 1.3027e-05 4.5978e-05 -6.0000e+00 8.8069e-04 -4.3568e-03 10 0 0 10 0 0 98.25 19.13 0.23 -0.00436 -0.00995 1117 240 2 8 0 43.810 14.99 19.13 23.54 21.48 21.48 19.6 908.05 -11355 -9562 -10270 -10464 -12549 -10050 -12482 -7844 -10268 -9918 -11977 -7316 -5575 -2425 -1686 -1967 471 -861 -196 200 -298 -930 1114 -1024 -1192 -1920 -2965 -1832 -1316 1932 861 2026 1117 -1826 -1231 -221 -1586 -404 -975 -2023 -2504 -1762 -1577 -1593 -350 -861 -642 -207 -420 892 1201 971 1406 968 745 1197 109 97 362 813 1208 1244 1200 891 -632 587 744 1095 1995 387 121 -275 -235 -53 -186 501 776 764 1187 -425 -558 -1114 -2081 -1018 -1072 -925 -539 -396 -129 -53 787 804 1209 1967 1449 763 831 337 -638 -520 -226 -140 876 595 -1107 -918 -575 -697 -143 -76 -307 -359 -93 232 424 1118 671 455 -130 -858 -977 -311 -201 -94 673 357 1174 1725 497 303 198 46 194 412 -248 -371 18 22 -532 -205 -22 -145 203 -201 -191 -218 -213 -261 -195 -263 -177 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