File name: Pandora159s1_Wakkerstroom_20231118_L2Fit_fout2c7d20231113p1-8.txt File generation date: 20250129T111547.5Z 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_20231118_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: 20231118 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 20231118T090427.4Z 8722.378095 4 1 29.67 2 12.29 50.55 70.00 108.72 0.00 1 0.00 1 0 17 9.445e-03 7.589e-03 1.557e-04 1.103e-04 1.354152e-01 5.647320e-05 1.477229e-03 -6.000000e+00 5.374447e-03 228.21 -2.00 3.06 -2.00 314.75 0.00e+00 4.765343e-05 4.577996e-06 2.108303e-05 -6.000000e+00 2.351776e-04 280.00 -2.00 20.00 -2.00 314.20 0.00e+00 1.023 0.000 302.00 328.00 3 -1.9672e-02 1.4486e-04 1.0358e-02 -6.0000e+00 1.3382e-02 6.8448e-03 1.6069e-04 6.1262e-03 -6.0000e+00 1.4539e-02 5.8053e-04 9.1923e-05 3.0263e-03 -6.0000e+00 8.6432e-03 -1.8791e-03 4.0225e-05 8.5561e-04 -6.0000e+00 3.6607e-03 2.1393e-01 -4.7076e-05 3.0835e-06 1.1379e-05 -6.0000e+00 2.5250e-04 -1.4749e-02 0.0000e+00 11 8 0 10 0 0 89.71 19.87 0.33 -0.01475 -0.01510 2883 620 2 8 0 9.390 15.02 19.87 33.05 22.09 21.98 26.6 927.14 -1113 -1495 -2204 -3128 -309 565 1485 1786 1015 -826 22 1509 254 431 208 -1084 -37 167 327 704 -80 1079 1476 632 626 98 -785 -160 1239 2350 2007 2339 1392 -1701 -267 644 -365 412 -251 -1487 -1686 -1050 -1260 -1272 -604 -1219 -985 -525 -631 700 833 595 917 602 483 1126 505 457 843 1063 1478 1091 868 362 -973 97 156 759 1693 141 -297 -423 -411 -123 -345 383 496 957 1307 -339 -735 -1290 -2106 -888 -1088 -1032 -620 -628 -388 -420 309 235 922 1874 1324 686 735 281 -737 -514 -255 -136 817 793 -943 -639 -538 -700 -67 -76 -227 -319 -84 125 437 1096 767 638 317 -491 -721 -206 -159 82 875 491 1109 1668 591 392 136 -62 78 420 -230 -384 -46 -89 -572 -249 -186 -434 -135 -422 -605 -892 -1173 -99 169 459 615 388 -332 9 567 104 195 104 -536 -18 84 167 367 -43 559 767 345 357 58 -457 -86 657 1175 1026 1252 794 -921 -144 334 -206 247 -180 -1147 -1406 -900 -1102 -1115 -522 -1049 -818 -414 -477 556 631 478 767 524 429 1007 460 414 746 935 1333 1053 836 367 -976 94 137 628 1466 140 -299 -445 -433 -125 -355 350 439 783 1090 -294 -712 -1369 -2213 -961 -1263 -1286 -760 -794 -491 -512 370 255 957 1830 1350 766 837 352 -918 -626 -311 -153 868 879 -1159 -828 -678 -917 -91 -107 -335 -472 -118 161 544 1264 880 765 411 -647 -985 -278 -210 110 1108 592 1251 1994 697 491 177 -82 104 575 -313 -550 -68 -134 -874 -373 -269 -612 -186 SS 20231118T090457.1Z 8722.378439 4 2 29.27 2 12.20 50.17 69.90 108.67 0.00 1 0.00 1 0 17 9.444e-03 7.598e-03 1.517e-04 1.081e-04 1.351715e-01 5.520064e-05 1.471352e-03 -6.000000e+00 5.374249e-03 228.21 -2.00 3.06 -2.00 314.70 0.00e+00 6.712051e-05 4.452975e-06 2.227168e-05 -6.000000e+00 2.351640e-04 280.00 -2.00 20.00 -2.00 314.16 0.00e+00 1.023 0.000 302.00 328.00 3 -5.0301e-02 1.4161e-04 1.0344e-02 -6.0000e+00 1.3381e-02 6.6625e-03 1.5725e-04 6.1101e-03 -6.0000e+00 1.4538e-02 6.7295e-04 8.9875e-05 3.0155e-03 -6.0000e+00 8.6428e-03 -2.0233e-03 3.9221e-05 8.5136e-04 -6.0000e+00 3.6606e-03 2.2076e-01 -1.6609e-05 3.0146e-06 1.1528e-05 -6.0000e+00 2.5248e-04 -1.4972e-02 0.0000e+00 11 8 0 10 0 0 98.21 19.87 0.33 -0.01497 -0.01510 2883 620 2 8 0 9.390 15.01 19.87 32.95 22.09 21.98 26.8 927.70 -1100 -1483 -2178 -3053 -334 622 1527 1768 1004 -842 -5 1469 297 450 263 -1117 -3 161 334 718 -59 1091 1461 605 644 88 -770 -135 1229 2389 2014 2333 1355 -1721 -326 655 -361 415 -213 -1499 -1695 -1065 -1242 -1301 -568 -1207 -980 -520 -630 720 851 604 930 602 476 1109 494 457 824 1091 1471 1102 868 356 -978 94 161 750 1690 133 -291 -447 -415 -132 -344 375 485 951 1318 -325 -747 -1332 -2119 -904 -1083 -1031 -640 -615 -405 -436 318 233 911 1866 1329 668 730 273 -730 -527 -242 -132 837 770 -920 -653 -561 -713 -82 -87 -225 -316 -94 126 440 1085 750 635 299 -507 -720 -207 -141 70 875 491 1129 1687 607 406 156 -60 90 406 -217 -379 -41 -104 -563 -229 -183 -438 -137 -421 -606 -891 -1156 -108 187 476 616 388 -341 -2 557 123 206 133 -558 -1 82 172 379 -32 571 767 333 370 52 -452 -73 658 1206 1039 1261 716 -941 -178 343 -206 251 -155 -1168 -1427 -922 -1097 -1151 -495 -1048 -821 -415 -481 533 651 490 786 529 427 1001 455 418 736 968 1339 1074 844 363 -990 92 142 627 1478 133 -296 -475 -441 -135 -331 347 400 785 1109 -284 -730 -1325 -2247 -987 -1268 -1210 -792 -786 -517 -537 384 255 956 1839 1368 699 839 346 -917 -649 -297 -150 898 862 -1140 -798 -714 -943 -112 -124 -315 -442 -132 163 554 1263 868 769 391 -673 -992 -283 -187 89 1118 598 1285 1890 723 513 205 -80 121 523 -298 -549 -62 -158 -813 -346 -268 -623 -191 SS 20231118T091047.0Z 8722.382488 7 1 29.53 2 11.24 45.30 68.72 108.17 0.00 1 0.00 1 0 17 9.432e-03 7.570e-03 1.476e-04 1.047e-04 1.349264e-01 5.317707e-05 1.470348e-03 -6.000000e+00 5.367440e-03 228.21 -2.00 3.06 -2.00 314.73 0.00e+00 4.943399e-05 4.342538e-06 2.145100e-05 -6.000000e+00 2.348664e-04 280.01 -2.00 20.00 -2.00 314.20 0.00e+00 1.020 0.000 302.00 328.00 3 -1.3729e-01 1.3632e-04 1.0317e-02 -6.0000e+00 1.3364e-02 7.7116e-03 1.5136e-04 6.1054e-03 -6.0000e+00 1.4520e-02 3.1282e-04 8.6511e-05 3.0142e-03 -6.0000e+00 8.6318e-03 -1.9327e-03 3.7898e-05 8.4785e-04 -6.0000e+00 3.6560e-03 2.4162e-01 -3.9821e-05 2.9199e-06 1.1443e-05 -6.0000e+00 2.5216e-04 -1.4967e-02 0.0000e+00 11 8 0 10 0 0 97.11 19.88 0.34 -0.01497 -0.01527 3431 738 2 8 0 7.890 15.01 19.88 33.15 22.09 21.98 27.1 931.03 -1206 -1438 -2281 -3049 -427 701 1391 1727 955 -851 -7 1427 339 380 292 -1164 39 129 336 686 -53 1071 1547 621 642 107 -777 -101 1193 2379 1979 2381 1376 -1642 -332 656 -329 387 -232 -1510 -1697 -1068 -1234 -1297 -556 -1233 -987 -532 -596 705 808 564 914 592 475 1141 480 471 826 1073 1467 1076 852 337 -981 75 191 756 1717 125 -279 -434 -361 -133 -322 367 484 955 1311 -336 -749 -1289 -2093 -878 -1086 -1041 -652 -635 -395 -431 303 223 910 1870 1353 683 756 275 -726 -522 -233 -139 827 767 -949 -658 -574 -706 -73 -56 -227 -299 -93 166 432 1093 736 615 298 -499 -719 -198 -163 71 896 457 1142 1666 606 395 151 -41 96 404 -216 -371 -62 -102 -580 -237 -224 -430 -163 -454 -576 -916 -1132 -136 207 426 590 362 -338 -3 531 137 171 145 -622 21 70 170 354 -28 599 866 335 362 62 -447 -58 625 1176 1000 1259 776 -958 -177 336 -184 229 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