File name: Pandora159s1_Wakkerstroom_20210801_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20251121T031811.0Z 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_20210801_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: 20210801 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 20210801T052208.5Z 7883.223709 181 1 49.19 2 82.26 65.14 45.72 337.78 0.00 1 0.00 1 0 25 6.200e-01 1.327e-02 3.772e-01 8.719e-03 7.545202e-01 4.918689e-03 7.238399e-03 -6.000000e+00 3.551756e-01 225.95 -2.00 3.06 -2.00 321.87 0.00e+00 1.111210e-02 2.659224e-03 5.631742e-03 -6.000000e+00 1.663769e-02 276.69 -2.00 20.00 -2.00 321.41 0.00e+00 6.934 0.002 302.00 328.00 3 1.9462e+00 1.7821e-02 7.7460e-02 -6.0000e+00 8.8364e-01 1.8995e-01 2.7356e-02 6.6851e-02 -6.0000e+00 9.6597e-01 -2.6887e-01 3.0892e-02 2.1700e-02 -6.0000e+00 5.7157e-01 1.0386e-01 1.4190e-02 1.2410e-02 -6.0000e+00 2.4036e-01 1.2455e-04 -1.6574e-03 2.5138e-04 8.7660e-05 -6.0000e+00 1.7136e-02 6.2909e-03 12 8 8 10 0 0 49.68 18.00 0.43 0.00629 -0.00616 56 12 4 8 0 878.260 15.03 18.00 3.61 20.56 20.56 15.9 813.20 207806 -227775 -250942 900000 -188015 900000 -216898 -118578 -197556 900000 -218952 -33733 -73585 -105530 900000 -82740 900000 -100550 900000 -72152 14785 -50416 900000 -30914 130957 -45974 -107128 900000 -82361 -5516 -64857 145466 -44527 168385 23471 23003 48376 13315 45715 -11611 32860 -9561 48943 -15097 23903 -13522 14030 8531 16546 9656 4301 17407 5122 6507 14079 32004 -8182 11515 -7212 15266 3633 5855 8915 778 1608 -264 9727 1791 9731 -5235 10327 -3803 1276 4975 3106 -3719 1109 -2773 482 2176 -120 4807 -5348 572 -3980 -253 -1130 982 157 -213 -507 2144 1735 1570 649 -1662 992 -517 -870 -1100 1806 -1639 1050 1122 -2571 -174 -2395 486 -2213 818 -882 -255 -758 1337 287 1104 1792 -564 -194 -1408 -353 44 827 -1092 1009 258 2335 944 411 270 551 351 -72 941 -916 -193 -439 601 -713 291 -488 78 86 1764 -2286 -3427 900000 -1596 900000 -1935 -1007 -1741 900000 -2647 -286 -625 -930 900000 -959 900000 -1815 900000 -1143 126 -654 900000 -360 1112 -675 -2890 900000 -1815 -66 -1733 1235 -1421 1430 406 394 708 322 978 -508 1048 -495 1544 -913 1030 -868 725 491 947 641 337 1354 491 670 1428 2827 -1082 1252 -912 1546 430 757 1301 140 307 -51 1704 355 1992 -1422 2659 -1164 366 1287 745 -862 232 -626 122 646 -43 1887 -2541 273 -2110 -138 -652 570 92 -121 -271 1048 833 793 376 -1158 786 -479 -889 -1133 1696 -1424 809 864 -2193 -154 -2283 486 -2508 1025 -1255 -384 -1159 1957 404 1493 2432 -824 -298 -2264 -551 66 1182 -1543 1355 337 2916 1253 627 471 1057 718 -158 2150 -2274 -500 -1163 1598 -1915 745 -1182 177 186 SS 20210801T052834.1Z 7883.228172 184 1 49.79 2 80.97 64.31 46.29 335.82 0.00 1 0.00 1 0 25 4.176e-01 7.257e-03 2.299e-01 3.455e-03 6.753706e-01 1.844068e-03 6.555570e-03 -6.000000e+00 2.367385e-01 225.95 -2.00 3.06 -2.00 321.43 0.00e+00 6.775517e-03 9.163455e-04 3.175132e-03 -6.000000e+00 1.026347e-02 276.69 -2.00 20.00 -2.00 320.95 0.00e+00 6.053 0.001 302.00 328.00 3 1.3523e+00 6.2810e-03 6.2005e-02 -6.0000e+00 5.8807e-01 5.6136e-02 9.1135e-03 4.3661e-02 -6.0000e+00 6.4104e-01 -6.9739e-02 1.0159e-02 1.7262e-02 -6.0000e+00 3.7935e-01 1.7472e-02 4.8042e-03 9.7483e-03 -6.0000e+00 1.6009e-01 4.9041e-04 -1.0793e-03 9.7397e-05 6.9142e-05 -6.0000e+00 1.1334e-02 5.7099e-03 11 8 0 10 0 0 83.45 18.00 0.36 0.00571 -0.00240 143 31 4 8 0 345.650 15.03 18.00 4.27 20.56 20.56 16.0 817.06 -135007 -130456 -144120 -110305 -171609 -49986 -188083 900000 -101369 183127 -182000 -14277 -110307 -55238 -5863 -31317 -6581 -14828 3918 -48648 -2461 -10407 14194 -25723 1484 -20833 8674 -12157 -21663 -8846 -29445 -13687 -14553 -6630 -1854 4292 -7959 -950 529 5440 2560 791 -360 -8071 1800 -4024 -4427 -4515 -2204 871 5007 1462 1636 1117 5176 1134 -1114 1981 830 1641 -1798 2871 2164 4120 1256 3891 1973 2418 3922 -108 211 363 -49 993 -599 1417 2130 1666 1274 -903 85 -2436 -2194 -884 -962 -624 -664 -418 130 -180 1081 1187 1477 1773 1117 668 840 -87 -432 -434 56 148 872 -319 -1258 -1283 -1072 -815 -353 -271 -615 -61 -244 436 140 1443 797 465 -619 -771 -778 40 -30 -357 576 188 1383 1148 418 241 339 283 390 496 -286 -590 -133 -205 -682 35 51 227 296 -637 -703 -971 -520 -1388 -168 -1901 900000 -546 617 -2285 -48 -1152 -447 -38 -317 -60 -165 40 -885 -29 -133 148 -433 21 -379 120 -205 -409 -164 -823 -401 -459 -207 -59 127 -268 -36 24 282 154 52 -26 -643 133 -328 -376 -402 -203 84 521 178 219 164 770 183 -189 323 133 259 -307 523 457 968 321 952 487 616 1099 -36 78 139 -18 351 -196 407 571 461 403 -350 38 -1288 -1267 -535 -621 -428 -480 -310 95 -128 704 722 864 1075 771 541 789 -95 -472 -474 62 145 778 -291 -1246 -1346 -1183 -962 -457 -362 -916 -95 -385 657 200 2129 1194 672 -961 -1244 -1240 60 -47 -551 849 267 1879 1639 683 410 633 564 816 1102 -686 -1494 -342 -535 -1788 89 120 497 627 SS 20210801T054055.9Z 7883.236758 189 1 50.99 2 78.51 62.67 47.50 332.16 0.00 1 0.00 1 0 25 1.664e-01 6.325e-03 4.505e-02 1.241e-03 5.569717e-01 6.429689e-04 5.599682e-03 -6.000000e+00 9.377877e-02 225.95 -2.00 3.06 -2.00 320.72 0.00e+00 2.910622e-03 2.551528e-04 1.574631e-03 -6.000000e+00 4.084243e-03 276.69 -2.00 20.00 -2.00 320.20 0.00e+00 4.863 0.001 302.00 328.00 3 8.0523e-01 1.9844e-03 4.7838e-02 -6.0000e+00 2.3253e-01 1.3534e-02 2.5717e-03 2.8994e-02 -6.0000e+00 2.5331e-01 -1.3506e-02 2.5957e-03 1.3221e-02 -6.0000e+00 1.5056e-01 -4.4230e-03 1.2952e-03 5.2548e-03 -6.0000e+00 6.3796e-02 2.4231e-03 -7.6148e-04 3.5472e-05 4.8815e-05 -6.0000e+00 4.4481e-03 5.2202e-03 10 0 0 10 0 0 44.82 18.00 0.27 0.00522 -0.00050 398 86 2 8 0 123.740 15.02 18.00 5.61 20.56 20.56 16.2 824.37 -84368 -31827 -56284 -51221 -80177 -34334 -69426 -33719 -47901 -46311 -33674 -42770 -21375 -29989 -9498 -13980 -5418 -17343 854 -12122 -4481 -6860 -5097 -6684 -735 -4327 -13682 -4435 -10995 -3600 -5909 -1531 -104 -922 -3862 1278 -1705 -1031 552 -2903 -801 -2276 -192 -2232 582 -1007 1384 504 1626 1654 601 2026 1092 1745 126 907 -820 671 -669 943 1171 1685 2004 1068 676 1159 1261 1113 2238 4 176 -691 -275 -151 -251 312 509 1253 987 24 -726 -1067 -2340 -615 -1269 -787 -632 -461 -97 13 1012 771 1404 1738 1415 669 914 113 -528 -438 1 108 1054 726 -1460 -897 -1039 -764 -182 -7 -510 -335 -65 362 592 1132 874 248 -142 -1027 -688 -352 -100 -151 661 274 1363 1566 361 181 114 141 113 386 -384 -356 -4 -39 -540 -113 -51 -5 412 -817 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