File name: Pandora21s1_Bremen_20220110_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T095034.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20220110_L1_smca1c1d20201116p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20220110 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: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- 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: 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 20220110T084249.8Z 8045.363076 120 1 17.18 2 83.51 141.03 109.84 45.98 0.00 1 0.00 1 0 25 6.541e-01 4.038e-02 5.051e-01 3.317e-02 1.147914e+00 2.081017e-02 1.355498e-02 -6.000000e+00 3.935947e-01 221.16 -2.00 3.88 -2.00 322.33 0.00e+00 3.345098e-03 8.928787e-03 1.888305e-03 -6.000000e+00 1.938159e-02 266.05 -2.00 20.00 -2.00 321.98 0.00e+00 8.031 0.012 302.00 328.00 3 1.3259e+00 6.7014e-02 1.0331e-01 -6.0000e+00 9.7278e-01 1.8595e+00 8.2498e-02 6.5160e-02 -6.0000e+00 1.0669e+00 -2.0485e+00 7.7261e-02 3.7109e-02 -6.0000e+00 6.2221e-01 7.4594e-01 4.1606e-02 1.3444e-02 -6.0000e+00 2.6867e-01 1.2227e-05 -7.6096e-04 9.2044e-04 2.1187e-04 -6.0000e+00 2.1621e-02 -1.5233e-02 1.9947e-04 12 9 9 12 1 1 24.30 22.08 0.61 -0.01523 -0.02095 7 5 1 5 0 2124.590 25.17 20.00 22.08 9.79 27.3 1002.30 -29898 900000 900000 900000 900000 900000 -132664 900000 900000 -69732 -123683 900000 -42949 900000 141466 87820 -61184 900000 -50832 -74910 136700 93729 144938 44415 77099 -46922 900000 158497 103417 -32812 111470 21658 -34233 39252 28112 900000 95352 900000 269569 900000 112756 76469 227498 34260 900000 -79177 219611 200988 50478 72191 15675 68254 142935 58437 85642 65641 13117 -2269 19768 79079 -21160 25195 15710 -7760 36087 -2296 19245 83853 33519 26726 52573 12988 1080 24142 -19781 51015 15295 -9703 36328 12266 -12835 10307 9298 -4676 18751 1361 -1887 4282 7897 7902 -18981 1912 13154 -1615 -15651 6138 -8358 -3216 5648 63 2356 -6394 -768 -709 -1556 -5278 -1268 -3387 -7983 -7093 -4436 779 -4323 3137 -1731 1103 2111 1095 45 -1605 2053 3048 5673 -3562 1931 -560 8019 6686 1637 485 2200 1541 -867 -837 91 -281 -181 658 -592 736 -1584 -2275 1277 -964 900000 900000 900000 900000 900000 -6892 900000 900000 -2249 -5761 900000 -1385 900000 4562 2832 -4275 900000 -3369 -6039 4408 3022 4674 1432 2486 -2403 900000 5111 3335 -1307 3594 739 -2338 1424 1076 900000 3075 900000 8692 900000 3636 2774 7336 1755 900000 -11205 7082 6481 2442 3055 1219 3714 4609 3880 4833 4358 1468 -284 1837 3984 -2649 2103 1639 -1112 3902 -358 2628 6362 4641 4213 7379 2629 238 3849 -4288 5032 2002 -1693 4617 2285 -3725 2788 2865 -1690 5946 506 -746 1703 2985 2859 -7989 654 4006 -613 -7544 2875 -5461 -2358 4285 53 1859 -4937 -491 -420 -943 -3494 -855 -2535 -7085 -7343 -5255 943 -5918 4081 -2341 1421 2693 1457 63 -2335 2804 4072 6913 -4577 2284 -662 8587 7625 2272 774 4041 3207 -2026 -2126 248 -771 -510 1847 -1663 2052 -4173 -5476 2755 SS 20220110T090757.8Z 8045.380530 129 1 50.02 2 81.27 146.46 107.02 51.58 0.00 1 0.00 1 0 25 8.563e-01 3.131e-02 3.968e-01 1.675e-02 9.928928e-01 1.016263e-02 1.200962e-02 -6.000000e+00 5.111205e-01 221.16 -2.00 3.88 -2.00 322.11 0.00e+00 1.867964e-02 4.438863e-03 1.571522e-03 -6.000000e+00 2.336575e-02 266.05 -2.00 20.00 -2.00 321.78 0.00e+00 6.233 0.005 302.00 328.00 3 2.5103e+00 3.2479e-02 8.4283e-02 -6.0000e+00 1.2627e+00 9.7042e-01 4.5409e-02 5.7991e-02 -6.0000e+00 1.3866e+00 -1.1851e+00 4.9280e-02 3.3600e-02 -6.0000e+00 8.1229e-01 4.9095e-01 2.4391e-02 1.2004e-02 -6.0000e+00 3.4165e-01 2.6863e-05 -3.3064e-03 4.8444e-04 1.9144e-04 -6.0000e+00 2.7147e-02 -1.3171e-02 8.0523e-05 12 9 8 11 8 0 99.65 22.08 0.32 -0.01317 -0.03802 52 10 1 5 0 961.764 25.17 20.00 22.08 11.04 27.4 1009.44 900000 269510 -49993 900000 -231792 900000 -138220 900000 -221587 134249 -230505 -189723 900000 -26944 900000 -57194 900000 -66389 900000 -58215 900000 136053 -48246 25826 -66894 900000 -71117 900000 -78503 121263 -57223 900000 -58059 52358 -4965 -69241 900000 -39890 187302 2489 558363 31679 47664 222921 44775 33945 60146 185409 9267 151364 39232 131422 26950 18598 49429 -2027 78339 31011 51223 36066 75539 7942 22026 46047 56420 31558 8937 58553 5242 34369 8243 26130 8472 15712 5095 17632 31582 9596 21307 1718 3822 -4667 1867 -3357 5522 532 -1127 3471 -4158 6397 -4147 8865 -4298 -235 -6996 -7498 -4314 -4172 -1332 -3714 2271 -3236 2785 -3812 -3028 -120 -4243 -2014 -3651 275 -4604 1536 -1944 -1649 440 -555 1252 30 1833 -2990 1805 903 3859 192 3982 1322 2205 2737 601 1123 -92 1914 639 1685 -236 -588 170 180 248 -973 150 -2068 -1171 900000 4392 -815 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1.527443e-03 1.313531e-03 -6.000000e+00 1.790425e-02 266.05 -2.00 20.00 -2.00 321.51 0.00e+00 5.369 0.003 302.00 328.00 3 2.2288e+00 1.1223e-02 7.3512e-02 -6.0000e+00 9.9439e-01 2.9731e-01 1.7670e-02 5.2580e-02 -6.0000e+00 1.0877e+00 -3.8447e-01 2.1591e-02 3.1425e-02 -6.0000e+00 6.3833e-01 1.6076e-01 1.0311e-02 1.1198e-02 -6.0000e+00 2.6771e-01 1.0913e-04 -2.1014e-03 1.8197e-04 1.6266e-04 -6.0000e+00 2.1011e-02 -1.2924e-02 2.5579e-05 12 8 8 10 0 0 99.83 22.08 0.27 -0.01292 -0.02871 114 22 1 5 0 440.212 25.17 20.00 22.08 11.50 27.2 1011.39 -332333 -38624 -310761 900000 -129789 900000 -291162 900000 -155111 -27003 -175790 900000 900000 -160636 900000 -124994 78071 -44815 900000 -58221 -34632 -43686 -87370 900000 -108779 290172 -109345 -18847 -44582 -53947 -43979 18655 50207 -2725 161139 -36003 36431 -10226 54819 27403 -385 22352 22108 68520 1429 38189 4144 39023 24389 33994 11968 28345 22649 11488 15110 10238 13924 4613 10375 4074 5980 12902 13152 10608 5602 17014 5226 11574 5670 6701 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