File name: Pandora159s1_Wakkerstroom_20200914_L2Fit_fout2c6d20191220p1-8.txt File generation date: 20240926T163155.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: B. Scholes 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_v5d20191004.txt Instrument calibration file used: Pandora159s1_CF_v6d20191220.txt Level 1 file used: Pandora159s1_Wakkerstroom_20200914_L1_smca1c6d20191220p1-8.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: 20200914 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: Update session 4 based on session2 for SO2 First and last pixel inside fitting window: 222 364 Nominal wavelengths inside fitting window [nm]: 305.0490 305.1898 305.3306 305.4713 305.6121 305.7529 305.8936 306.0343 306.1750 306.3157 306.4564 306.5971 306.7378 306.8785 307.0191 307.1597 307.3004 307.4410 307.5816 307.7222 307.8628 308.0033 308.1439 308.2845 308.4250 308.5655 308.7060 308.8465 308.9870 309.1275 309.2680 309.4084 309.5489 309.6893 309.8297 309.9701 310.1105 310.2509 310.3913 310.5317 310.6720 310.8124 310.9527 311.0930 311.2333 311.3736 311.5139 311.6542 311.7944 311.9347 312.0749 312.2152 312.3554 312.4956 312.6358 312.7760 312.9161 313.0563 313.1964 313.3366 313.4767 313.6168 313.7569 313.8970 314.0371 314.1771 314.3172 314.4572 314.5973 314.7373 314.8773 315.0173 315.1573 315.2973 315.4372 315.5772 315.7171 315.8570 315.9969 316.1369 316.2767 316.4166 316.5565 316.6964 316.8362 316.9760 317.1159 317.2557 317.3955 317.5352 317.6750 317.8148 317.9545 318.0943 318.2340 318.3737 318.5134 318.6531 318.7928 318.9325 319.0721 319.2118 319.3514 319.4910 319.6307 319.7703 319.9098 320.0494 320.1890 320.3285 320.4681 320.6076 320.7471 320.8866 321.0261 321.1656 321.3051 321.4445 321.5840 321.7234 321.8628 322.0023 322.1417 322.2810 322.4204 322.5598 322.6991 322.8385 322.9778 323.1171 323.2564 323.3957 323.5350 323.6743 323.8135 323.9528 324.0920 324.2312 324.3704 324.5096 324.6488 324.7880 324.9272 --------------------------------------------------------------------------------------- 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 20200914T042324.0Z 7562.182916 70 1 49.92 2 85.19 83.84 64.01 43.20 0.00 1 0.00 1 0 25 6.343e-01 6.265e-02 5.567e-01 6.025e-02 9.858643e-01 3.813618e-02 1.079148e-02 -6.000000e+00 3.866676e-01 227.50 -2.00 3.06 -2.00 322.39 0.00e+00 8.083617e-03 1.716886e-02 2.280443e-02 -6.000000e+00 1.956928e-02 277.41 -2.00 20.00 -2.00 321.94 0.00e+00 10.164 0.006 302.00 328.00 3 1.5062e+00 1.3647e-01 1.6716e-01 -6.0000e+00 9.6173e-01 1.7546e+00 1.6520e-01 1.8994e-01 -6.0000e+00 1.0522e+00 -2.1263e+00 1.1572e-01 6.4011e-02 -6.0000e+00 6.2734e-01 8.1009e-01 6.1455e-02 9.6195e-03 -6.0000e+00 2.7522e-01 9.2203e-06 -3.3280e-03 1.7255e-03 2.6925e-04 -6.0000e+00 1.8779e-02 4.2349e-03 0.0000e+00 12 9 9 12 9 1 81.58 18.65 1.62 0.00423 -0.02077 12 3 4 8 0 3838.540 15.00 18.65 15.82 21.06 20.96 11.7 901.20 900000 900000 82695 900000 900000 -89604 900000 -28401 100476 29670 -39509 900000 900000 900000 -19087 -42376 17694 900000 900000 900000 106143 263577 -41512 900000 900000 84911 22900 -78022 -121361 900000 900000 66964 152831 900000 41275 900000 900000 900000 -16113 113553 15387 900000 900000 128466 900000 900000 900000 132466 -45933 900000 -31689 900000 204061 66272 28360 57954 180854 18574 -4387 -56338 900000 -8003 98578 251013 -37071 93232 20569 89182 78780 67020 -7404 79517 -2954 28717 -24800 21957 -23989 -5646 86752 881 -31148 20134 26209 -22084 28663 -1054 21409 -10561 10122 10781 5369 18836 57692 8038 44003 20511 -1333 12226 -8196 -3017 -9428 4502 9553 3909 7115 -8360 13236 -9126 -1590 -6702 -1323 1722 -2759 738 1626 3916 -2803 -4140 -3470 -4467 -2720 1710 -5477 11865 -1439 20335 2980 1013 -4664 717 2798 -1966 4354 4411 -3063 103 -707 200 1712 987 -1274 -2219 -1515 900000 900000 4830 900000 900000 -8336 900000 -1659 5868 1733 -2307 900000 900000 900000 -1260 -4033 1033 900000 900000 900000 6199 15394 -3125 900000 900000 4959 1337 -6478 -14474 900000 900000 3911 8926 900000 2411 900000 900000 900000 -1212 6632 1037 900000 900000 7503 900000 900000 900000 7736 -5746 900000 -3964 900000 11918 3992 2567 3959 10562 1788 -488 -9728 900000 -900 5757 14660 -7840 5550 2479 5676 6076 6582 -1646 7779 -630 4134 -5302 2606 -4088 -828 5889 169 -9794 4479 6142 -8817 7336 -377 6443 -4422 3442 3525 1730 5014 10327 2465 10959 7683 -740 7000 -6485 -2354 -7463 2792 4968 2052 3819 -5548 7527 -6997 -1272 -6560 -1431 2017 -3553 923 1961 4480 -3446 -5409 -4773 -6445 -3804 2158 -7039 12549 -1692 18864 3196 1158 -6554 1137 4959 -4038 9055 9906 -7955 274 -1946 551 4631 2595 -3156 -5102 -3235 SS 20200914T043741.8Z 7562.192845 73 1 49.61 2 82.04 82.15 61.94 40.43 0.00 1 0.00 1 0 25 6.489e-01 1.135e-02 2.897e-01 4.568e-03 7.646108e-01 2.570934e-03 7.501273e-03 -6.000000e+00 3.718428e-01 227.50 -2.00 3.06 -2.00 321.81 0.00e+00 1.795229e-02 1.388139e-03 8.583335e-03 -6.000000e+00 1.715719e-02 277.41 -2.00 20.00 -2.00 321.35 0.00e+00 6.766 0.002 302.00 328.00 3 1.1113e+00 9.2837e-03 8.9728e-02 -6.0000e+00 9.2541e-01 1.6937e-01 1.4310e-02 9.2111e-02 -6.0000e+00 1.0069e+00 -2.2832e-01 1.6387e-02 2.1409e-02 -6.0000e+00 5.9538e-01 9.2264e-02 7.5316e-03 2.1873e-02 -6.0000e+00 2.5550e-01 3.1250e-04 -1.7539e-03 1.2810e-04 1.2650e-04 -6.0000e+00 1.7771e-02 4.1705e-03 0.0000e+00 12 8 8 10 0 0 77.37 18.65 0.29 0.00417 -0.00901 115 25 4 8 0 427.580 15.00 18.65 17.10 21.06 20.96 11.7 908.30 900000 -245853 900000 -253589 -125858 -253806 900000 -268833 -183927 -173304 900000 -193985 -120714 -137548 -35549 -75020 -89860 270944 -89406 80746 -86872 25984 -93217 14757 -76863 -7542 -18669 -24937 75889 -32035 36319 -40318 28773 -29061 36707 -21120 12024 -15559 15586 -5335 -7888 20583 -1880 17316 -12102 14729 -14107 8861 4077 14875 6385 8071 8096 6568 13903 7388 12502 -1531 3989 -5946 3659 -2280 8048 442 2577 2694 -102 166 3638 6830 75 4027 -222 3401 -485 4832 -539 -1187 2298 848 342 -2055 -1979 -3908 281 -2480 981 -984 1362 299 2562 639 2418 2246 127 740 520 416 -1499 431 -718 1297 1109 1420 -1453 -429 -5138 -759 -54 -528 -509 -995 241 -14 975 478 1054 -601 -477 -920 -807 -271 -107 680 369 1259 869 2609 234 141 591 431 351 662 -99 -446 201 -136 -561 -616 145 -187 239 900000 -2280 900000 -2916 -560 -2542 900000 -3291 -1117 -982 900000 -1649 -684 -1336 -173 -698 -1164 1206 -1360 359 -1418 147 -1591 96 -1275 -64 -181 -262 338 -441 323 -912 431 -787 550 -501 238 -433 416 -190 -325 695 -86 694 -682 672 -911 487 253 899 471 665 739 663 1377 803 1313 -183 441 -721 422 -313 1164 80 501 527 -20 34 796 1675 22 1185 -68 937 -126 1070 -118 -267 570 260 126 -899 -960 -2056 151 -1455 586 -621 843 182 1426 339 1211 1163 76 522 401 375 -1538 444 -708 1212 927 1155 -1296 -402 -5331 -810 -59 -654 -712 -1514 370 -21 1383 653 1435 -870 -732 -1480 -1284 -410 -154 942 495 1752 1170 3571 345 240 1122 885 763 1528 -246 -1180 540 -373 -1545 -1637 357 -431 521 SS 20200914T044405.5Z 7562.197286 76 1 51.09 2 80.63 81.39 61.05 39.14 0.00 1 0.00 1 0 25 3.736e-01 7.704e-03 2.076e-01 2.397e-03 6.723406e-01 1.300583e-03 6.688697e-03 -6.000000e+00 2.127178e-01 227.50 -2.00 3.06 -2.00 321.42 0.00e+00 1.938205e-02 6.335317e-04 7.099506e-03 -6.000000e+00 9.363863e-03 277.41 -2.00 20.00 -2.00 320.93 0.00e+00 5.857 0.001 302.00 328.00 3 9.3825e-01 4.3900e-03 7.8022e-02 -6.0000e+00 5.2896e-01 8.8705e-02 6.3209e-03 7.9606e-02 -6.0000e+00 5.7483e-01 -1.2491e-01 7.0666e-03 1.7947e-02 -6.0000e+00 3.4122e-01 5.2478e-02 3.3528e-03 2.5167e-02 -6.0000e+00 1.4488e-01 8.2005e-04 -1.5054e-03 6.7022e-05 1.1652e-04 -6.0000e+00 1.0089e-02 3.9466e-03 0.0000e+00 11 8 0 10 0 0 87.46 18.65 0.29 0.00395 -0.00737 199 43 4 8 0 247.970 15.00 18.65 17.98 21.06 20.96 11.9 913.82 15049 -177361 16336 -179125 900000 -142629 86634 -112704 11603 -134354 -125006 -99449 -146495 -5860 -77255 16540 -45778 24864 -26421 26406 -1731 -3390 -6100 -11828 -5425 -25163 35741 -51987 18511 -37310 19181 -10140 18023 -8887 13028 -8839 -6968 2098 -127 5908 -8104 5374 -7559 2457 -3208 6471 -3148 2956 1651 5164 8085 -868 3451 1001 4013 -922 2953 -2624 5227 -1004 4027 -291 1295 466 -1052 1782 -265 3434 636 2105 -784 1465 -649 2185 -832 1452 530 -572 84 -1932 -958 -2362 -2039 -2218 -327 -1471 -176 -455 402 669 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