File name: Pandora53s1_Potchefstroom-METSI_20231014_L2Fit_fout2c0d20220413p1-8.txt File generation date: 20231015T194926.4Z Data description: Level 2 spectral fitting results file Data file version: fout2c0p1-8 Local principal investigator: Stuart Piketh Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 53 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora53_OF_v5d20210210.txt Instrument calibration file used: Pandora53s1_CF_v103d20220413.txt Level 1 file used: Pandora53s1_Potchefstroom-METSI_20231014_L1_smca1c0d20220413p1-8.txt Full location name: Gerhard Minnebron Mooi River Ecosystem Trails for Scientific Investigations Short location name: Potchefstroom-METSI Country of location: South Africa Location latitude [deg]: -26.4907 Location longitude [deg]: 27.1322 Location altitude [m]: 1440 Local noon date: 20231014 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0881 305.2288 305.3695 305.5101 305.6508 305.7914 305.9321 306.0727 306.2133 306.3539 306.4945 306.6351 306.7757 306.9162 307.0568 307.1973 307.3378 307.4784 307.6189 307.7593 307.8998 308.0403 308.1807 308.3212 308.4616 308.6020 308.7424 308.8828 309.0232 309.1636 309.3040 309.4443 309.5847 309.7250 309.8653 310.0056 310.1459 310.2862 310.4264 310.5667 310.7069 310.8472 310.9874 311.1276 311.2678 311.4080 311.5482 311.6883 311.8285 311.9686 312.1088 312.2489 312.3890 312.5291 312.6692 312.8092 312.9493 313.0893 313.2294 313.3694 313.5094 313.6494 313.7894 313.9294 314.0694 314.2093 314.3493 314.4892 314.6291 314.7690 314.9089 315.0488 315.1887 315.3285 315.4684 315.6082 315.7480 315.8878 316.0276 316.1674 316.3072 316.4470 316.5867 316.7265 316.8662 317.0059 317.1456 317.2853 317.4250 317.5647 317.7044 317.8440 317.9836 318.1233 318.2629 318.4025 318.5421 318.6816 318.8212 318.9608 319.1003 319.2398 319.3794 319.5189 319.6584 319.7978 319.9373 320.0768 320.2162 320.3556 320.4951 320.6345 320.7739 320.9133 321.0526 321.1920 321.3314 321.4707 321.6100 321.7493 321.8887 322.0279 322.1672 322.3065 322.4458 322.5850 322.7242 322.8635 323.0027 323.1419 323.2810 323.4202 323.5594 323.6985 323.8377 323.9768 324.1159 324.2550 324.3941 324.5332 324.6722 324.8113 324.9503 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Azimuth motor temperature [°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 20231014T040803.2Z 8687.172259 77 1 50.16 2 84.11 96.06 81.47 90.48 0.00 1 0.00 1 0 17 5.320e-01 3.739e-02 2.498e-01 1.119e-02 9.329823e-01 6.775692e-03 9.185606e-03 -6.000000e+00 3.299360e-01 228.25 -2.00 3.06 -2.00 321.77 0.00e+00 2.668575e-03 3.572253e-03 3.906888e-03 -6.000000e+00 1.649024e-02 280.61 -2.00 20.00 -2.00 321.28 0.00e+00 8.695 0.004 302.00 328.00 3 2.4473e+00 2.4486e-02 8.6978e-02 -6.0000e+00 8.2394e-01 1.2355e+00 3.0670e-02 4.8484e-02 -6.0000e+00 8.9579e-01 -1.4532e+00 2.5261e-02 2.4136e-02 -6.0000e+00 5.2606e-01 5.6486e-01 1.2133e-02 7.0859e-03 -6.0000e+00 2.2128e-01 9.9494e-06 -3.3090e-04 3.2131e-04 1.5969e-04 -6.0000e+00 1.8069e-02 -3.6299e-02 -1.6207e-04 12 9 9 12 36 4 96.83 16.10 0.21 -0.03630 -0.03879 15 3 1 5 0 3343.480 19.44 14.99 16.10 11.88 37.30 14.6 820.60 900000 -111253 -51107 900000 -32618 76166 900000 900000 -40087 106978 900000 -55483 900000 900000 103660 -109485 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4122 4089 1982 3318 5728 3640 4494 5949 5026 4140 5298 727 4229 470 5012 4511 2598 5445 4992 2723 5825 -2952 -2943 5834 4809 1197 395 -1155 -22353 -3405 5498 -2832 3588 2149 -2680 -2465 -26 479 2269 1776 -3342 -1995 2908 1878 -388 3196 -1001 -602 3667 -4094 3342 -2334 -417 -1077 -4467 -3710 -4357 -3148 -3916 -1000 -747 -1236 -2428 494 931 -1621 1883 -1109 -856 2418 1601 3445 271 -305 967 3005 6150 -768 5284 2132 3185 1070 3352 -1416 700 -6344 1310 -458 10 194 -1103 -848 -335 -2101 SS 20231014T042005.2Z 8687.180616 80 1 50.66 2 81.43 94.75 78.83 89.22 0.00 1 0.00 1 0 25 4.154e-01 1.058e-02 1.859e-01 3.558e-03 7.670552e-01 2.009303e-03 7.475386e-03 -6.000000e+00 2.534565e-01 228.25 -2.00 3.06 -2.00 320.98 0.00e+00 2.694619e-03 9.256091e-04 5.839194e-04 -6.000000e+00 1.211938e-02 280.61 -2.00 20.00 -2.00 320.45 0.00e+00 6.336 0.001 302.00 328.00 3 2.8697e+00 6.5303e-03 6.4151e-02 -6.0000e+00 6.2955e-01 2.1628e-01 8.8882e-03 3.6375e-02 -6.0000e+00 6.8195e-01 -1.9851e-01 9.0362e-03 1.9223e-02 -6.0000e+00 4.0481e-01 6.7930e-02 4.3337e-03 7.3038e-03 -6.0000e+00 1.6990e-01 6.1103e-05 -5.5984e-04 1.0157e-04 9.0780e-05 -6.0000e+00 1.3299e-02 -3.5781e-02 -2.7315e-04 12 9 9 12 4 4 98.54 16.16 0.29 -0.03578 -0.03999 40 7 1 5 0 1265.450 19.54 15.00 16.16 13.23 39.60 14.6 830.30 -108090 -167494 -238540 900000 -208348 900000 -23461 -97555 -160064 -45365 900000 -122650 900000 -57661 13210 -129800 -14269 -37155 8843 -5594 -11907 28375 -28732 -51092 -18725 -14366 -39178 3454 63759 7645 7512 10441 -2641 -19356 2070 -12382 -8999 -13037 -7882 -10863 -9331 2063 -6349 10665 -6267 6861 -1983 2758 3081 7925 6499 3558 4688 13326 1173 3993 5275 8607 1968 5837 -469 4616 2821 703 3388 1645 5227 2744 1379 5378 -684 -1792 -2581 5774 -412 -1284 87 -10759 -657 1661 -539 -574 -1258 -1054 -1984 -742 -243 -88 18 -461 -811 1797 505 -106 1961 -308 865 663 -568 589 -402 -856 -168 -439 -999 -1010 -1316 -1060 -399 -229 -314 -356 343 153 452 358 895 66 676 -41 7 -197 -540 377 433 613 873 1496 687 339 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4.499868e-04 -6.000000e+00 4.008369e-03 280.61 -2.00 20.00 -2.00 319.46 0.00e+00 4.961 0.001 302.00 328.00 3 2.9778e+00 2.8683e-03 5.0675e-02 -6.0000e+00 2.2657e-01 9.3735e-02 3.5262e-03 2.8960e-02 -6.0000e+00 2.4529e-01 -5.1576e-02 3.1848e-03 1.4417e-02 -6.0000e+00 1.4598e-01 5.9934e-03 1.6225e-03 4.7788e-03 -6.0000e+00 6.1062e-02 1.9513e-04 -4.6912e-04 5.3251e-05 5.6729e-05 -6.0000e+00 4.7406e-03 -3.6452e-02 -2.6788e-04 12 1 1 12 4 4 98.49 16.26 0.27 -0.03645 -0.03998 70 13 1 5 0 727.990 19.64 15.00 16.26 15.17 41.80 14.7 843.50 -54931 -102195 -34816 -19163 -23087 -70095 7189 -55283 -25357 -36611 3928 -51466 4340 8712 -9186 -34234 -11080 -8337 -1804 -4876 -3986 1942 -5384 -12839 -9648 -2568 -10016 -2432 -2409 3954 -10412 3721 -4237 -4220 -1895 -9560 -3333 -3481 -173 -4159 -2422 -1019 -1623 1812 -3095 1010 -1351 -120 -671 1916 1747 1181 2085 3011 1828 588 977 1578 1004 1785 863 2794 1289 914 1339 621 1065 1060 874 1386 -26 -605 -601 -879 55 -474 -291 -2623 -552 764 -768 -1004 -1394 -967 -1431 -654 -269 -202 -316 102 359 816 714 763 1721 768 414 359 -206 265 -372 -576 561 154 -829 -773 -751 -805 -247 -49 -75 -280 -58 192 306 551 699 504 56 -414 -306 -212 -178 -120 441 509 790 1021 325 518 -144 -58 -330 55 -416 -91 20 -154 -347 31 124 -165 226 -444 -1405 -288 -135 -162 -789 40 -661 -254 -451 35 -839 55 133 -189 -1078 -315 -256 -56 -166 -140 66 -207 -577 -456 -120 -512 -114 -114 188 -661 241 -339 -361 -159 -807 -290 -359 -21 -622 -403 -181 -306 340 -620 198 -278 -25 -148 408 410 310 597 926 606 206 351 565 356 622 313 1082 526 413 635 296 501 514 464 770 -16 -395 -390 -546 31 -263 -151 -1399 -295 466 -518 -770 -1181 -823 -1304 -628 -270 -197 -308 102 335 712 599 652 1592 773 454 445 -265 343 -460 -689 648 177 -955 -943 -967 -1053 -348 -73 -117 -459 -96 308 466 840 1058 790 88 -681 -504 -340 -275 -187 657 729 1098 1452 509 861 -252 -103 -626 106 -850 -188 42 -334 -750 64 255 -323 445 SS 20231014T043756.1Z 8687.193011 88 1 50.84 2 77.44 92.81 74.90 87.32 0.00 1 0.00 1 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