File name: Pandora159s1_Wakkerstroom_20241025_L2Fit_fout2c3d20201207p1-8.txt File generation date: 20241025T215134.3Z 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_20241025_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: 20241025 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 20241025T062421.6Z 9064.266917 224 1 50.04 2 48.84 82.30 54.10 332.31 0.00 1 0.00 1 0 17 9.576e-03 7.089e-03 4.892e-04 2.369e-04 1.961018e-01 1.185410e-04 2.095162e-03 -6.000000e+00 5.434687e-03 228.13 -2.00 3.06 -2.00 316.39 0.00e+00 1.284912e-04 1.336190e-05 3.560836e-05 -6.000000e+00 2.371308e-04 278.97 -2.00 20.00 -2.00 315.73 0.00e+00 1.517 0.000 302.00 328.00 3 1.3605e+00 3.0928e-04 1.5193e-02 -6.0000e+00 1.3533e-02 -1.9673e-02 3.4681e-04 8.8310e-03 -6.0000e+00 1.4720e-02 -2.2552e-03 2.0042e-04 4.3430e-03 -6.0000e+00 8.7463e-03 -1.7423e-03 9.2688e-05 1.2182e-03 -6.0000e+00 3.6902e-03 3.2313e-02 -3.9883e-04 6.6760e-06 1.4488e-05 -6.0000e+00 2.5624e-04 1.5311e-02 11 8 0 10 0 0 98.54 19.46 0.25 0.01531 0.01231 1067 229 2 8 0 46.280 15.00 19.46 27.28 21.69 21.69 27.5 886.11 -1493 -1746 -2924 -3538 -871 -208 1022 1302 208 -1336 -299 1160 -221 509 -61 -1125 53 26 348 626 -63 1160 1496 475 668 -108 -834 -230 1274 2245 1923 2397 868 -1956 -345 407 -408 616 -285 -1385 -1542 -889 -1186 -1020 -418 -1128 -774 -486 -431 862 870 617 1035 520 618 1124 481 515 914 1180 1589 1165 951 249 -940 285 31 1052 1581 52 -181 -428 -290 -173 -357 428 402 931 1107 -522 -715 -1510 -2027 -852 -1080 -954 -591 -545 -362 -316 395 292 1100 1860 1172 635 717 104 -838 -519 -369 -93 876 509 -1096 -652 -591 -656 43 -128 -253 -322 -45 141 540 1139 723 628 172 -616 -687 -155 -175 88 792 403 1371 1625 547 376 100 -32 116 347 -259 -402 74 -186 -561 -199 -216 -334 -28 -288 -360 -608 -746 -159 -36 187 268 48 -319 -69 269 -52 135 -18 -363 17 9 120 222 -23 409 536 180 266 -45 -340 -87 439 748 671 891 350 -812 -131 151 -168 295 -165 -851 -1023 -608 -831 -716 -290 -782 -520 -314 -270 533 565 428 751 395 480 885 386 410 711 914 1269 1004 886 226 -844 249 25 814 1311 50 -174 -426 -286 -164 -342 364 308 673 838 -451 -690 -1484 -2118 -922 -1256 -1189 -720 -682 -451 -378 465 311 1143 1861 1248 691 860 128 -1096 -660 -470 -108 973 596 -1419 -823 -779 -900 62 -194 -374 -511 -68 196 732 1444 921 840 232 -895 -1023 -227 -249 120 1093 530 1691 2008 727 534 138 -45 165 512 -407 -666 118 -301 -918 -317 -356 -533 -43 SS 20241025T063033.4Z 9064.271220 227 1 49.88 2 47.48 81.42 54.73 330.75 0.00 1 0.00 1 0 25 9.666e-03 7.012e-03 4.731e-04 2.326e-04 1.909671e-01 1.167142e-04 2.050204e-03 -6.000000e+00 5.485742e-03 228.13 -2.00 3.06 -2.00 316.34 0.00e+00 1.277714e-04 1.301401e-05 3.292562e-05 -6.000000e+00 2.393532e-04 278.97 -2.00 20.00 -2.00 315.70 0.00e+00 1.477 0.000 302.00 328.00 3 1.3173e+00 3.0414e-04 1.4812e-02 -6.0000e+00 1.3660e-02 -1.7336e-02 3.4028e-04 8.6292e-03 -6.0000e+00 1.4858e-02 -1.9126e-03 1.9671e-04 4.2469e-03 -6.0000e+00 8.8284e-03 -1.7611e-03 9.1290e-05 1.1927e-03 -6.0000e+00 3.7250e-03 3.5127e-02 -3.7939e-04 6.5931e-06 1.4172e-05 -6.0000e+00 2.5864e-04 1.5074e-02 11 8 0 10 0 0 99.31 19.46 0.25 0.01507 0.01222 1305 281 2 8 0 37.840 15.00 19.46 27.96 21.69 21.69 27.3 888.52 -1868 -1748 -2948 -3547 -792 21 1202 1120 591 -1527 -102 883 31 297 71 -1250 196 -15 302 585 -152 1303 1322 645 474 -7 -975 -43 1261 2388 1864 2519 941 -2002 -232 258 -235 456 -187 -1445 -1448 -968 -1217 -1066 -415 -1145 -816 -441 -468 922 810 762 973 565 558 1167 477 540 872 1167 1587 1143 1027 188 -874 228 117 982 1638 21 -180 -449 -307 -186 -329 467 346 1088 1042 -420 -780 -1438 -2053 -852 -1071 -892 -563 -527 -319 -321 492 247 1151 1796 1158 591 735 87 -782 -524 -402 -103 866 578 -1097 -570 -629 -604 3 -112 -246 -309 -44 176 548 1165 744 601 215 -586 -618 -190 -135 96 853 431 1414 1564 542 394 52 -5 103 358 -267 -407 64 -160 -580 -169 -223 -319 -61 -371 -369 -627 -764 -147 4 224 235 137 -372 -24 208 8 80 21 -408 65 -5 105 209 -55 462 476 246 190 -3 -399 -16 435 873 650 933 377 -827 -87 95 -96 217 -107 -882 -953 -657 -845 -741 -285 -787 -542 -307 -316 613 566 520 696 423 427 903 377 423 667 889 1247 968 940 182 -834 196 92 745 1327 20 -182 -437 -322 -187 -308 389 259 836 839 -353 -734 -1489 -2089 -897 -1211 -1081 -717 -691 -417 -402 563 277 1162 1746 1197 675 855 112 -1066 -694 -497 -117 1010 656 -1377 -751 -865 -865 4 -164 -376 -472 -63 254 716 1424 914 776 300 -820 -888 -268 -200 135 1135 546 1682 1864 695 539 75 -8 152 546 -403 -647 103 -267 -977 -278 -354 -489 -92 SS 20241025T063534.5Z 9064.274705 229 1 49.76 2 46.38 80.68 55.26 329.51 0.00 1 0.00 1 0 17 9.488e-03 7.097e-03 3.644e-04 1.889e-04 1.869769e-01 9.447085e-05 1.998089e-03 -6.000000e+00 5.384446e-03 228.13 -2.00 3.06 -2.00 316.15 0.00e+00 1.428134e-04 1.011539e-05 3.158960e-05 -6.000000e+00 2.349420e-04 278.97 -2.00 20.00 -2.00 315.50 0.00e+00 1.447 0.000 302.00 328.00 3 9.9684e-01 2.4570e-04 1.4488e-02 -6.0000e+00 1.3408e-02 -1.5632e-02 2.7508e-04 8.4133e-03 -6.0000e+00 1.4584e-02 -1.7572e-03 1.5852e-04 4.1358e-03 -6.0000e+00 8.6655e-03 -1.6431e-03 7.2652e-05 1.1599e-03 -6.0000e+00 3.6560e-03 4.9917e-02 -4.2095e-04 5.3106e-06 1.4111e-05 -6.0000e+00 2.5388e-04 1.5441e-02 11 8 0 10 0 0 77.85 19.46 0.28 0.01544 0.01228 1593 343 2 8 0 31.000 15.00 19.46 28.27 21.69 21.69 27.1 888.86 -1519 -1593 -2916 -3279 -888 175 860 1466 432 -1251 -316 1245 -45 421 45 -1160 140 -31 426 521 -8 1157 1526 529 648 -126 -837 -133 1232 2387 1783 2513 883 -1928 -337 367 -458 599 -235 -1369 -1490 -885 -1213 -1069 -465 -1135 -774 -519 -385 847 873 671 1021 502 599 1148 407 541 850 1234 1537 1150 924 249 -989 260 60 1014 1613 23 -183 -477 -266 -206 -297 389 398 954 1123 -503 -741 -1461 -2019 -817 -1092 -897 -607 -536 -371 -313 417 283 1052 1851 1163 626 733 93 -779 -525 -363 -136 886 550 -1086 -635 -633 -642 23 -124 -251 -301 -71 135 512 1161 705 651 181 -572 -665 -151 -160 102 814 406 1373 1567 554 337 67 -38 87 335 -252 -389 68 -182 -550 -170 -242 -318 -35 -324 -362 -668 -759 -178 33 173 330 108 -326 -80 314 -11 121 14 -404 49 -11 158 198 -3 437 584 215 276 -55 -363 -53 451 841 659 984 374 -840 -134 143 -197 301 -142 -880 -1033 -632 -887 -782 -336 -820 -541 -348 -250 543 586 480 764 394 479 929 336 443 680 982 1264 1019 816 232 -910 232 49 801 1362 20 -178 -483 -267 -199 -290 337 310 700 861 -439 -724 -1451 -2131 -892 -1282 -1048 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