File name: Pandora21s1_Bremen_20221006_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T124253.8Z 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_20221006_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: 20221006 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 20221006T061223.1Z 8314.258601 101 1 51.03 2 85.30 104.99 136.76 311.01 0.00 1 0.00 1 0 33 7.097e-01 6.868e-02 4.999e-01 5.949e-02 8.805116e-01 3.722391e-02 1.114736e-02 -6.000000e+00 4.356277e-01 225.63 -2.00 3.88 -2.00 321.96 0.00e+00 -2.040541e-03 1.166779e-02 7.433258e-04 -6.000000e+00 1.903662e-02 276.66 -2.00 20.00 -2.00 321.57 0.00e+00 10.277 0.024 302.00 328.00 3 3.2020e-01 1.1209e-01 1.1524e-01 -6.0000e+00 1.0831e+00 1.8152e+00 1.2915e-01 5.0518e-02 -6.0000e+00 1.1823e+00 -2.0058e+00 9.4794e-02 2.6604e-02 -6.0000e+00 6.9333e-01 7.6451e-01 5.4058e-02 8.6815e-03 -6.0000e+00 2.9505e-01 5.6202e-06 -2.6859e-03 1.8943e-03 1.4346e-04 -6.0000e+00 2.2663e-02 -2.0644e-02 1.8648e-04 12 8 8 10 0 0 27.09 22.10 1.28 -0.02064 -0.04083 21 4 1 5 0 2429.474 25.28 19.99 22.10 18.84 30.1 1001.42 900000 48264 170301 177991 900000 22894 900000 -64569 53069 76220 198309 900000 -75818 16868 900000 900000 211040 73261 71457 153873 -26095 900000 900000 -1996 900000 -37186 -31689 -28929 35261 900000 900000 900000 184821 900000 -82381 900000 -12220 -26949 900000 69660 22514 169696 35904 900000 161182 -58405 900000 -57281 900000 125460 38064 17922 54201 109426 35795 246135 356536 105342 -21281 31344 7229 83709 20124 42682 73323 79895 58655 1057 8500 1507 10966 28658 8053 81075 12631 77134 -16376 11201 -23447 -22074 -9894 -11368 18165 14992 -5067 -6359 14091 10710 21826 8755 -11366 -7823 -16683 7738 19743 30085 -8181 -777 -14802 8879 -494 -3610 -699 -4803 18057 -6353 -8595 11019 8845 -15846 1157 4061 3 3667 2689 4665 -4373 -256 -2197 5945 -7958 3191 -692 963 -7026 3414 1093 7215 11463 -1951 4786 -100 -3958 66 336 -849 1103 -226 -782 1024 1505 -258 -2289 900000 3863 9844 10289 900000 1434 900000 -8326 3068 4406 11463 900000 -11799 1300 900000 900000 12199 4235 4131 8895 -3520 900000 900000 -183 900000 -4836 -3664 -2926 2038 900000 900000 900000 10683 900000 -16667 900000 -1118 -3116 900000 4393 2277 9809 3286 900000 9317 -12098 900000 -11313 900000 7252 3600 2260 5127 6325 4514 14228 20609 6643 -4100 3624 1026 5719 2855 5383 7321 7557 6781 204 1787 348 2536 6325 1978 9799 2721 7701 -3786 1942 -6284 -6273 -2955 -3997 5338 4911 -2148 -2879 5430 4385 7991 3543 -5311 -3316 -7474 2795 7037 11304 -5320 -546 -13476 6715 -399 -2765 -468 -3170 9742 -4652 -6831 7749 7030 -18396 1299 4929 3 4787 3471 5730 -5835 -338 -3111 8104 -12535 4350 -937 1239 -9510 4045 1295 8202 13860 -3130 8208 -200 -8866 152 834 -2269 3001 -635 -2207 2767 3813 -615 -5237 SS 20221006T062518.6Z 8314.267577 104 1 49.88 2 83.44 107.63 138.07 314.89 0.00 1 0.00 1 0 25 5.597e-01 2.030e-02 4.111e-01 1.155e-02 8.238631e-01 6.780634e-03 9.904624e-03 -6.000000e+00 3.338290e-01 225.63 -2.00 3.88 -2.00 322.08 0.00e+00 9.345430e-03 3.022332e-03 1.295206e-03 -6.000000e+00 1.397065e-02 276.66 -2.00 20.00 -2.00 321.75 0.00e+00 7.949 0.011 302.00 328.00 3 6.5771e-01 2.2392e-02 9.3066e-02 -6.0000e+00 8.3350e-01 5.9012e-01 3.2937e-02 5.0426e-02 -6.0000e+00 9.0869e-01 -8.1403e-01 3.7686e-02 2.9217e-02 -6.0000e+00 5.3316e-01 3.4581e-01 1.8121e-02 1.0312e-02 -6.0000e+00 2.2499e-01 5.0125e-05 -2.2203e-03 3.6880e-04 1.4863e-04 -6.0000e+00 1.7082e-02 -2.1107e-02 1.4179e-04 12 8 8 10 0 0 -20.33 22.10 0.38 -0.02111 -0.03779 87 17 1 5 0 573.170 25.28 20.00 22.10 19.13 30.1 1003.55 900000 -17011 900000 -229607 -123568 -235714 -55283 -29378 900000 7102 -188443 -151072 -92566 900000 2887 900000 -146894 17004 15680 88418 900000 25310 7408 -11099 5282 -107472 -78910 -86633 -1387 277969 39680 900000 -15960 93965 71008 74836 59173 45681 181 37750 25576 4722 135322 18949 54182 17795 21157 31264 41258 53058 49839 66814 20776 64940 32122 50380 -7549 30083 9389 2766 14836 23606 9854 1719 11792 14381 15439 3792 19694 8727 6934 18805 9829 11141 3797 5374 -11736 1154 -1829 4395 6077 -601 1819 -3551 668 -2539 131 1568 2549 -2093 -662 -2139 32 -1640 -4019 905 -2148 -546 -2905 -823 -269 -1142 -105 -214 -1920 -1269 -2464 -4667 -969 -1558 -1322 -1088 -397 -603 502 2088 1201 -548 -1980 -421 -681 1838 353 471 1343 1042 3733 2437 1937 -153 855 604 932 149 281 -218 -69 345 -809 -134 -641 -448 -623 900000 -191 900000 -6952 -1390 -6321 -622 -330 900000 80 -3885 -2407 -1041 900000 32 900000 -6481 191 176 994 900000 285 90 -166 69 -4091 -2440 -2842 -19 3126 483 900000 -494 1153 998 1071 943 942 7 1168 1007 229 2214 869 1930 862 1025 1553 1972 2437 2616 3319 1672 3652 2668 3617 -916 2681 999 306 1476 2328 1179 255 1743 2137 2282 652 3148 1767 1593 4063 2329 2479 833 1045 -2508 218 -395 1063 1733 -200 664 -1483 285 -1190 63 773 1255 -1058 -314 -970 14 -734 -2049 515 -1494 -437 -2685 -785 -249 -978 -80 -156 -1464 -1023 -2134 -4444 -980 -1801 -1736 -1476 -562 -858 688 2904 1673 -802 -2901 -634 -1037 2823 526 678 1857 1404 4778 3221 2848 -265 1562 1219 2014 346 700 -581 -192 964 -2295 -370 -1677 -1090 -1432 SS 20221006T063640.2Z 8314.275466 107 1 49.50 2 81.83 109.98 139.15 318.43 0.00 1 0.00 1 0 25 5.501e-01 8.624e-03 2.639e-01 4.114e-03 7.319859e-01 2.341252e-03 8.843472e-03 -6.000000e+00 3.262148e-01 225.63 -2.00 3.88 -2.00 321.72 0.00e+00 3.133286e-03 1.001942e-03 1.049485e-03 -6.000000e+00 1.405859e-02 276.66 -2.00 20.00 -2.00 321.38 0.00e+00 6.596 0.006 302.00 328.00 3 5.8344e-01 7.4882e-03 7.8491e-02 -6.0000e+00 8.1197e-01 1.0267e-01 1.1555e-02 4.5182e-02 -6.0000e+00 8.8322e-01 -1.0644e-01 1.4267e-02 2.6697e-02 -6.0000e+00 5.1952e-01 3.4526e-02 6.8599e-03 9.3989e-03 -6.0000e+00 2.1780e-01 2.2433e-04 -9.9287e-04 1.3257e-04 1.2669e-04 -6.0000e+00 1.6749e-02 -2.0542e-02 1.1702e-04 11 8 0 10 0 0 78.24 22.10 0.33 -0.02054 -0.02800 210 41 1 5 0 235.690 25.28 20.00 22.10 19.59 30.0 1005.54 -253787 68060 -145436 -150933 900000 -237344 -103336 -211072 -148258 -196526 900000 -176597 -124303 -173381 56314 -79729 -40327 -1395 -57765 -19986 -70008 -4332 10583 900000 37618 21012 -65077 -49321 -49418 -22989 15651 -64555 35192 5650 32567 -28076 15483 4705 -1202 -166 -5115 7079 -7037 12672 7309 12981 694 5318 10782 -6425 6515 -7395 8280 -640 10751 2465 5882 1931 -1849 4906 3289 6471 2174 5653 2554 9063 1855 4831 3744 812 839 -2271 2639 -21 3153 -1069 2317 1086 576 772 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