File name: Pandora159s1_Wakkerstroom_20240103_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250129T113841.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Refilwe Kai Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 159 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora159_OF_v6d20191004.txt Instrument calibration file used: Pandora159s1_CF_v7d20231113.txt Level 1 file used: Pandora159s1_Wakkerstroom_20240103_L1_smca1c7d20231113p1-8.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: 20240103 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: new FC bc steadily increasing wrms First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0825 305.2233 305.3641 305.5049 305.6457 305.7864 305.9272 306.0679 306.2087 306.3494 306.4901 306.6308 306.7715 306.9122 307.0528 307.1935 307.3341 307.4747 307.6153 307.7560 307.8965 308.0371 308.1777 308.3183 308.4588 308.5993 308.7399 308.8804 309.0209 309.1614 309.3019 309.4423 309.5828 309.7232 309.8637 310.0041 310.1445 310.2849 310.4253 310.5657 310.7060 310.8464 310.9867 311.1270 311.2674 311.4077 311.5480 311.6882 311.8285 311.9688 312.1090 312.2493 312.3895 312.5297 312.6699 312.8101 312.9503 313.0904 313.2306 313.3708 313.5109 313.6510 313.7911 313.9312 314.0713 314.2114 314.3514 314.4915 314.6315 314.7716 314.9116 315.0516 315.1916 315.3316 315.4715 315.6115 315.7514 315.8914 316.0313 316.1712 316.3111 316.4510 316.5909 316.7307 316.8706 317.0104 317.1503 317.2901 317.4299 317.5697 317.7095 317.8493 317.9890 318.1288 318.2685 318.4082 318.5479 318.6876 318.8273 318.9670 319.1067 319.2463 319.3860 319.5256 319.6652 319.8048 319.9444 320.0840 320.2236 320.3632 320.5027 320.6422 320.7818 320.9213 321.0608 321.2003 321.3398 321.4792 321.6187 321.7581 321.8976 322.0370 322.1764 322.3158 322.4552 322.5945 322.7339 322.8732 323.0126 323.1519 323.2912 323.4305 323.5698 323.7091 323.8484 323.9876 324.1269 324.2661 324.4053 324.5445 324.6837 324.8229 324.9621 --------------------------------------------------------------------------------------- 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: L1 based wavelength change coefficient, order 1, -9=no L1 wavelength change determination Column 77: 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 78: 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 79: 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 80: 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 81: 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 82: 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 83: Atmospheric variability [%], 999=no atmospheric variability was determined Column 84: Wavelength effective temperature [°C], 999=no effective temperature given Column 85: Estimated average residual stray light level [%] (only valid for stray light correction methods 2 and higher) Column 86: Retrieved wavelength shift from L1 data [nm], -9=no wavelength change determination Column 87: Retrieved total wavelength shift [nm], -9=no wavelength change fitting Column 88: Number of bright count cycles Column 89: Number of dark count cycles Column 90: Effective position of filterwheel #1, 0=filterwheel not used, 1-9 are valid positions Column 91: Effective position of filterwheel #2, 0=filterwheel not used, 1-9 are valid positions Column 92: Sum over 2^i, 0=spectra were interpolated in time, 1=spectra are corrected for off-target signal Column 93: Integration time [ms] Column 94: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20240103T042438.5Z 8768.183779 200 1 49.45 2 75.31 108.46 32.70 328.32 0.00 1 0.00 1 0 25 4.507e-02 6.573e-03 4.802e-02 2.458e-03 4.598601e-01 1.253534e-03 4.690644e-03 -6.000000e+00 2.558767e-02 227.72 -2.00 3.06 -2.00 319.91 0.00e+00 3.214980e-03 3.913536e-04 4.646225e-04 -6.000000e+00 1.131345e-03 282.01 -2.00 20.00 -2.00 319.24 0.00e+00 3.865 0.000 302.00 328.00 3 3.2239e+00 3.6376e-03 3.7936e-02 -6.0000e+00 6.3594e-02 7.0418e-02 4.3841e-03 2.2080e-02 -6.0000e+00 6.9104e-02 -8.4531e-03 3.7136e-03 1.0645e-02 -6.0000e+00 4.1147e-02 -6.6180e-03 1.9241e-03 4.8004e-03 -6.0000e+00 1.7468e-02 4.9930e-04 -4.8990e-04 7.0706e-05 4.1890e-05 -6.0000e+00 1.2049e-03 -1.1267e-02 0.0000e+00 11 8 0 10 0 0 99.80 19.88 0.40 -0.01127 -0.01495 49 11 1 8 0 1008.960 14.99 19.88 21.72 22.09 21.88 27.0 868.54 -24993 5435 -10010 9692 -2760 -11825 -9230 4923 -10773 679 -3496 -22291 -19598 -2780 6102 -919 3666 -4849 3351 -4180 2142 -1604 -5222 3236 -9889 2184 -7233 -4469 -2763 3937 -5562 8302 -5456 -43 -2819 4890 -5012 1928 -1697 -3320 -1489 -2739 273 -1948 571 -560 184 -851 2539 928 708 988 976 746 -234 1162 -368 407 -317 2274 1722 1495 1775 -30 -354 393 -142 646 1955 124 347 -531 366 237 5 648 481 1311 1545 -33 -328 -808 -2593 -602 -1327 -1253 -691 -352 -264 -99 533 722 1483 1803 1703 446 1082 250 -606 -113 -191 -298 1049 317 -1318 -929 -1001 -849 -309 177 -338 -174 -257 131 285 1264 910 469 166 -653 -555 -414 -7 -181 697 77 1475 1474 369 275 69 -124 42 253 -453 -197 7 -17 -562 -83 -222 66 351 -384 77 -160 133 -39 -178 -145 76 -200 13 -72 -552 -571 -85 207 -39 162 -252 171 -242 119 -93 -322 196 -733 150 -549 -318 -188 260 -459 688 -585 -5 -294 465 -577 246 -273 -639 -312 -618 62 -465 134 -135 44 -209 613 237 197 301 322 263 -87 439 -145 158 -121 836 659 627 829 -16 -190 199 -69 311 1014 75 230 -369 250 154 3 346 236 628 802 -20 -231 -642 -2092 -502 -1189 -1198 -692 -362 -271 -98 483 651 1240 1503 1551 430 1177 308 -810 -149 -236 -332 1071 333 -1521 -1129 -1275 -1141 -443 277 -574 -305 -442 212 428 1778 1285 696 263 -1100 -938 -680 -11 -276 1005 107 1926 1966 548 451 122 -228 79 467 -896 -409 15 -36 -1221 -173 -442 135 689 SS 20240103T043100.7Z 8768.188203 203 1 13.89 2 73.96 107.85 33.44 325.77 0.00 1 0.00 1 0 25 7.954e-02 1.009e-02 5.742e-02 4.718e-03 4.228712e-01 2.377596e-03 4.371665e-03 -6.000000e+00 4.516006e-02 227.72 -2.00 3.06 -2.00 319.24 0.00e+00 9.321640e-04 6.089813e-04 1.568933e-04 -6.000000e+00 1.996731e-03 282.01 -2.00 20.00 -2.00 318.55 0.00e+00 3.560 0.000 302.00 328.00 3 3.8993e+00 6.6353e-03 3.4693e-02 -6.0000e+00 1.1224e-01 6.3586e-02 7.7476e-03 1.9319e-02 -6.0000e+00 1.2196e-01 -5.3084e-03 5.8855e-03 9.5220e-03 -6.0000e+00 7.2620e-02 -7.7845e-03 3.1007e-03 2.8714e-03 -6.0000e+00 3.0830e-02 3.4173e-04 -3.2379e-04 1.3391e-04 3.0260e-05 -6.0000e+00 2.1265e-03 -1.1255e-02 0.0000e+00 12 9 9 12 9 1 74.17 19.88 0.33 -0.01126 -0.01369 6 5 1 8 0 1982.600 14.99 19.88 22.03 22.09 21.88 27.1 870.73 16261 6070 28743 -16022 -897 -2628 -35489 10382 -46481 -8818 -47533 7152 -9633 -3545 -12380 1071 7230 -6318 -1143 -2568 -11761 -8983 328 -10499 9523 1572 4817 -5125 1056 -4810 9071 5564 -1966 4497 -3752 2580 -7971 6884 -6158 -2486 -1427 2319 1404 755 358 -3021 591 159 1821 1019 2874 -628 1560 -363 2078 766 55 748 1713 2533 -563 2313 809 2035 -2226 1507 247 1899 1242 798 897 191 7 -1090 869 -538 -4 -125 450 233 767 -2151 -1851 -1296 -764 -655 -1418 -379 -1046 -230 219 809 453 1501 1440 1189 545 -164 -458 44 -522 -330 1181 457 -733 -1742 -903 -1396 -249 154 458 -46 114 -114 262 1460 569 537 -636 -896 -456 150 -43 153 754 629 1118 2070 795 -8 662 -343 320 36 432 -357 731 -2663 -62 -222 215 286 90 304 141 562 -458 -20 -59 -1176 254 -2192 -309 -2458 236 -438 -183 -826 71 492 -520 -95 -227 -1164 -868 30 -1143 922 172 513 -573 107 -530 973 698 -293 658 -566 362 -1351 1196 -1455 -661 -414 687 434 238 114 -1000 190 51 583 339 1014 -248 647 -162 947 364 27 361 802 1168 -276 1187 460 1235 -1423 890 141 1069 755 548 665 148 6 -814 596 -342 -3 -72 275 161 590 -1864 -1704 -1239 -768 -694 -1578 -428 -1185 -251 225 774 410 1346 1380 1256 636 -210 -619 59 -668 -390 1314 522 -897 -2244 -1199 -1938 -360 236 741 -76 185 -179 387 2051 806 788 -988 -1448 -740 238 -67 231 1096 885 1513 2825 1170 -12 1096 -589 559 65 814 -700 1447 -5474 -126 -441 413 528 164 SS 20240103T043547.3Z 8768.191520 205 1 13.26 2 72.95 107.40 34.03 323.93 0.00 1 0.00 1 0 25 2.339e-02 6.612e-03 8.480e-03 1.036e-03 4.036018e-01 5.182251e-04 4.159404e-03 -6.000000e+00 1.327990e-02 227.72 -2.00 3.06 -2.00 318.71 0.00e+00 1.544947e-03 1.121374e-04 2.131089e-04 -6.000000e+00 5.871553e-04 282.01 -2.00 20.00 -2.00 318.00 0.00e+00 3.362 0.000 302.00 328.00 3 1.3957e+00 1.4183e-03 3.2817e-02 -6.0000e+00 3.3005e-02 4.7753e-02 1.6288e-03 1.8419e-02 -6.0000e+00 3.5864e-02 -1.7022e-02 1.1461e-03 8.9991e-03 -6.0000e+00 2.1355e-02 3.8158e-04 6.0543e-04 2.9757e-03 -6.0000e+00 9.0662e-03 5.0561e-03 -3.8387e-04 2.9000e-05 2.7949e-05 -6.0000e+00 6.2531e-04 -1.1542e-02 0.0000e+00 12 9 1 12 1 1 99.27 19.88 0.21 -0.01154 -0.01443 94 82 2 8 0 130.350 15.00 19.88 22.19 22.09 21.88 27.1 870.82 -12215 -3843 -10863 -3515 -10498 -6218 -6416 -3581 -1001 -7303 -2435 -4259 859 -6351 1803 -3870 1342 -1919 -279 -534 49 296 -44 -801 -1807 -119 -2943 -462 -2037 1905 -189 2341 82 -2187 -1086 -361 -911 -448 365 -1729 -1184 -1666 -603 -1611 335 -759 -230 -377 -665 1107 948 1129 1301 1199 510 1626 -45 538 438 1175 1273 1304 1485 797 -316 397 676 696 1880 220 78 -388 -214 -113 -101 369 533 1103 1070 -229 -708 -1021 -2337 -916 -1186 -987 -801 -641 -295 -87 664 660 1102 1679 1308 437 777 169 -710 -560 -426 -230 867 552 -1206 -818 -369 -732 -194 -231 -455 -295 11 252 392 1096 768 621 77 -683 -668 -143 -131 -73 793 137 1010 1656 476 268 223 -118 22 404 -268 -275 101 -113 -614 -178 -154 -208 63 -445 -145 -458 -131 -379 -208 -230 -142 -44 -358 -115 -220 50 -477 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