File name: Pandora159s1_Wakkerstroom_20241026_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20241026T214816.9Z 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 v1.8.60 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v3d20201207.txt Level 1 file used: Pandora159s1_Wakkerstroom_20241026_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: 20241026 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 20241026T054938.0Z 9065.242801 188 1 8.66 2 56.36 87.20 44.61 354.29 0.00 1 0.00 1 0 25 9.768e-03 6.741e-03 5.571e-03 2.436e-03 2.245506e-01 1.221341e-03 2.392218e-03 -6.000000e+00 5.543826e-03 228.13 -2.00 3.06 -2.00 316.60 0.00e+00 2.187581e-04 1.454412e-04 3.574027e-05 -6.000000e+00 2.419119e-04 279.01 -2.00 20.00 -2.00 315.94 0.00e+00 1.799 0.000 302.00 328.00 3 4.0058e+00 3.1932e-03 1.7806e-02 -6.0000e+00 1.3805e-02 1.9018e-02 3.5793e-03 1.0129e-02 -6.0000e+00 1.5015e-02 -2.1849e-03 2.0854e-03 4.9768e-03 -6.0000e+00 8.9217e-03 -2.0753e-03 9.8367e-04 1.3994e-03 -6.0000e+00 3.7648e-03 1.7076e-03 -4.2493e-04 6.8896e-05 1.6346e-05 -6.0000e+00 2.6134e-04 1.4480e-02 12 9 1 12 1 1 100.00 19.39 0.33 0.01448 0.01129 20 26 2 8 0 412.060 15.00 19.39 21.12 21.69 21.69 26.4 852.84 -2162 -2705 -682 -3474 -459 -1444 1021 -970 1361 -802 592 2070 218 -346 -532 244 -212 7 600 175 -534 1164 1809 -288 116 633 -1601 27 1288 1935 2164 2950 639 -1987 58 -366 332 226 552 -1387 -1540 -1739 -1004 -915 -702 -740 -855 -999 -912 1117 1200 19 674 235 542 1152 367 728 1046 1244 1812 805 1176 205 -581 561 331 970 1803 78 -558 -131 -565 -38 37 70 217 1172 855 -398 -1018 -942 -1790 -630 -953 -824 -519 -577 -133 -229 192 -47 1200 1766 1242 293 617 153 -876 -509 -582 -174 663 438 -1090 -465 -563 -248 -183 -89 -328 -225 68 147 543 1157 579 429 56 -718 -452 -130 -175 -104 1014 452 1028 1392 499 435 -45 299 47 274 -185 -355 108 -156 -559 -48 -155 -465 -107 -372 -502 -124 -606 -69 -214 158 -171 258 -158 114 404 48 -86 -146 72 -65 2 191 58 -179 386 608 -102 43 239 -616 10 424 630 740 1064 250 -800 22 -135 132 103 292 -838 -995 -1155 -677 -619 -472 -495 -564 -640 -576 694 785 13 486 176 414 881 286 562 799 945 1417 668 1026 188 -533 476 266 755 1483 71 -544 -130 -567 -37 34 59 169 872 664 -344 -954 -945 -1896 -682 -1087 -984 -645 -729 -168 -281 221 -51 1210 1745 1278 328 737 195 -1164 -665 -732 -204 756 513 -1377 -609 -754 -341 -262 -133 -502 -345 101 208 723 1471 741 564 78 -1051 -668 -191 -252 -145 1356 589 1291 1754 662 605 -65 433 68 410 -290 -573 176 -260 -933 -79 -250 -731 -166 SS 20241026T055422.6Z 9065.246094 190 1 20.90 2 55.31 86.62 44.71 352.71 0.00 1 0.00 1 0 17 2.389e-02 1.294e-02 2.287e-02 8.240e-03 2.141334e-01 4.099778e-03 2.274591e-03 -6.000000e+00 1.356534e-02 228.13 -2.00 3.06 -2.00 317.19 0.00e+00 1.160388e-04 5.610258e-04 9.313964e-05 -6.000000e+00 5.918165e-04 279.01 -2.00 20.00 -2.00 316.50 0.00e+00 1.752 0.000 302.00 328.00 3 6.4238e+00 1.0816e-02 1.7227e-02 -6.0000e+00 3.3780e-02 1.2806e-02 1.2162e-02 9.6911e-03 -6.0000e+00 3.6737e-02 1.1662e-02 7.2184e-03 4.7529e-03 -6.0000e+00 2.1828e-02 -9.4907e-04 3.5020e-03 1.3464e-03 -6.0000e+00 9.2154e-03 1.6038e-04 2.5548e-04 2.3709e-04 1.5573e-05 -6.0000e+00 6.3922e-04 1.1844e-02 12 9 9 12 9 1 100.00 19.39 0.92 0.01184 0.01376 6 4 1 8 0 2984.970 15.00 19.39 21.29 21.69 21.69 26.4 853.32 10066 303 2169 -3403 -7089 -1916 8644 2258 10506 830 2551 737 1420 4853 3452 -3052 -5892 3166 2476 3222 3325 -3189 -2198 921 962 2632 -2592 -1724 -336 3175 9 4933 1901 -4143 -4501 730 -808 -2659 -2761 -3969 -1315 -662 -550 -730 -1032 -1337 89 -1009 -887 2829 -1376 980 104 -272 962 987 574 1128 629 2272 2042 513 1903 588 -1750 -795 164 311 2954 -874 -462 -1091 633 -1136 747 63 -1038 -522 -294 956 -1378 -185 -1316 369 32 600 1119 -546 660 801 825 1079 1348 1638 1657 1449 1316 -926 -758 215 -539 442 744 837 -1756 -366 -6913 -1086 620 626 -301 -454 186 38 -741 -267 -242 -351 234 406 -461 291 1062 751 737 -313 1433 2156 1181 345 1046 -401 -715 131 127 95 753 -798 -337 -312 246 -596 -325 1262 45 314 -480 -924 -230 1005 315 1489 133 394 118 252 943 764 -769 -1578 798 649 865 906 -918 -639 274 301 833 -847 -522 -94 847 3 1456 616 -1430 -1458 223 -274 -1075 -1321 -2187 -758 -394 -334 -447 -631 -815 52 -582 -500 1541 -820 609 68 -187 666 697 413 803 441 1570 1466 399 1563 512 -1526 -633 121 223 2217 -761 -431 -1058 605 -1061 643 50 -749 -358 -212 756 -1235 -178 -1343 387 36 711 1384 -702 840 982 940 1129 1297 1535 1638 1561 1552 -1212 -1031 284 -675 512 828 971 -2242 -483 -10014 -1552 910 966 -486 -737 289 55 -1000 -342 -310 -470 334 608 -709 440 1560 1066 1001 -411 1767 2667 1559 484 1512 -596 -1081 204 207 161 1297 -1419 -599 -543 413 -982 -527 SS 20241026T060506.2Z 9065.253544 192 1 49.93 2 52.93 85.27 45.04 349.16 0.00 1 0.00 1 0 25 1.021e-02 6.693e-03 3.044e-03 1.145e-03 2.060308e-01 5.715023e-04 2.192873e-03 -6.000000e+00 5.793334e-03 228.13 -2.00 3.06 -2.00 317.18 0.00e+00 2.094476e-04 7.701326e-05 4.124469e-05 -6.000000e+00 2.527895e-04 279.01 -2.00 20.00 -2.00 316.49 0.00e+00 1.655 0.000 302.00 328.00 3 3.3913e+00 1.5076e-03 1.6372e-02 -6.0000e+00 1.4426e-02 6.1813e-03 1.6950e-03 9.3133e-03 -6.0000e+00 1.5691e-02 2.7803e-03 1.0004e-03 4.5769e-03 -6.0000e+00 9.3231e-03 -4.7308e-03 4.8075e-04 1.2949e-03 -6.0000e+00 3.9345e-03 3.6824e-03 -2.6543e-04 3.3097e-05 1.4931e-05 -6.0000e+00 2.7309e-04 1.4074e-02 11 8 0 10 0 0 100.00 19.40 0.23 0.01407 0.01208 615 132 2 8 0 80.270 15.00 19.40 21.41 21.69 21.69 26.3 853.68 -1721 -1871 -3872 -3127 -1824 1332 114 2716 283 -540 -170 1295 -225 331 183 -1351 49 -1121 468 -241 50 514 1475 252 455 -363 -522 -251 1359 2904 1570 2614 481 -1630 -443 1226 -50 697 -224 -1326 -1756 -1021 -1020 -1237 -351 -1330 -628 -755 64 735 997 567 1144 457 701 1076 301 703 790 1504 1424 1269 932 382 -863 400 44 1127 1730 67 -94 -412 -200 -265 -221 281 467 995 1324 -123 -749 -1527 -1965 -861 -988 -737 -615 -436 -412 -5 458 345 1117 1947 1113 631 776 62 -687 -558 -289 -301 1020 369 -989 -605 -1158 -598 125 36 -210 -215 -99 182 349 1039 718 564 124 -465 -510 -42 -152 35 809 305 1320 1546 637 322 43 -54 84 309 -210 -423 150 -123 -535 -67 -212 -258 -51 -253 -297 -620 -460 -237 163 15 391 46 -91 -28 214 -42 69 43 -345 13 -302 128 -69 14 145 423 76 145 -120 -170 -76 380 790 449 795 158 -549 -139 372 -17 272 -105 -714 -1024 -614 -627 -764 -214 -813 -374 -435 35 405 577 352 741 308 483 752 215 500 550 1038 1019 969 771 331 -746 314 32 792 1302 57 -87 -394 -191 -244 -190 219 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