File name: Pandora21s1_Bremen_20201219_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T060058.8Z 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_20201219_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: 20201219 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 20201219T083448.8Z 7658.357509 83 1 49.58 2 84.66 142.10 113.73 87.81 0.00 1 0.00 1 0 33 7.273e-01 5.526e-02 5.243e-01 4.672e-02 8.474273e-01 2.689804e-02 1.058114e-02 -6.000000e+00 4.237981e-01 220.17 -2.00 3.88 -2.00 321.77 0.00e+00 -2.656887e-04 1.012618e-02 9.469650e-04 -6.000000e+00 2.066155e-02 267.24 -2.00 20.00 -2.00 321.41 0.00e+00 9.377 0.019 302.00 328.00 3 9.3157e-01 8.1993e-02 1.0496e-01 -6.0000e+00 1.0388e+00 1.4215e+00 9.6313e-02 4.7954e-02 -6.0000e+00 1.1365e+00 -1.4331e+00 7.9221e-02 2.5554e-02 -6.0000e+00 6.7213e-01 5.5342e-01 4.3135e-02 8.5361e-03 -6.0000e+00 2.8694e-01 7.6507e-06 -2.5800e-03 1.4068e-03 1.4112e-04 -6.0000e+00 2.2664e-02 2.3228e-03 1.1817e-04 12 8 8 10 0 0 86.11 22.07 1.16 0.00232 -0.01706 17 3 1 5 0 2915.549 25.17 20.00 22.07 11.58 21.6 999.27 44215 900000 -26837 900000 -69487 -118074 27061 -94364 -30996 -117774 900000 -47662 254689 -77437 46364 54621 200566 273788 -54756 60484 44171 900000 533 900000 -15285 900000 900000 5652 900000 -21783 900000 17904 111273 -16607 -21568 198954 101843 144087 193588 167304 52557 244456 -11832 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-2788 7198 1284 6056 -2985 5324 -8302 6641 -1 -1739 2205 793 1787 -3397 2012 -6389 5958 -1132 1751 5369 -2202 1173 -4535 1878 -10928 10114 -19518 -3361 -1986 -219 -2967 -2694 -2469 -5560 8165 948 -2655 -2469 3906 -4635 1895 6907 1745 -1282 2267 4922 71 12311 -474 2613 620 1015 9218 1854 -1441 -3556 -3475 -2039 3282 -8721 7529 28 -481 2045 -6181 SS 20201219T084505.8Z 7658.364650 86 1 49.52 2 83.73 144.28 112.22 89.79 0.00 1 0.00 1 0 17 4.360e-01 2.573e-02 3.990e-01 1.933e-02 8.115653e-01 1.099702e-02 9.821200e-03 -6.000000e+00 2.542469e-01 220.17 -2.00 3.88 -2.00 321.91 0.00e+00 9.632146e-03 4.716271e-03 1.139503e-03 -6.000000e+00 1.080855e-02 267.24 -2.00 20.00 -2.00 321.56 0.00e+00 8.268 0.013 302.00 328.00 3 1.0087e+00 3.4943e-02 9.4012e-02 -6.0000e+00 6.2612e-01 9.4793e-01 4.4849e-02 4.6534e-02 -6.0000e+00 6.8542e-01 -1.0709e+00 4.5471e-02 2.5813e-02 -6.0000e+00 4.0552e-01 4.2261e-01 2.3043e-02 9.0032e-03 -6.0000e+00 1.7177e-01 2.4063e-05 -1.8455e-03 5.9939e-04 1.3862e-04 -6.0000e+00 1.3266e-02 2.3154e-03 8.4340e-05 12 8 8 10 0 0 46.94 22.07 0.85 0.00232 -0.01155 43 8 1 5 0 1151.385 25.17 20.00 22.07 12.13 21.6 1001.79 -109599 900000 -152164 180631 -150227 -72958 -150712 -64669 -107109 -62691 49158 101536 900000 41509 900000 -72095 77931 900000 20404 20839 -40010 900000 44009 35051 19188 55428 -88512 12540 -89207 -68654 900000 -3254 -40927 62282 3645 36489 900000 46752 99998 23572 21381 72054 49091 50758 17740 63249 -3748 5760 -8538 21949 27296 17951 50091 18419 14886 18380 35688 31858 61585 1631 26191 23116 5813 15158 9931 22074 26947 22817 10795 32244 11565 23113 4449 14169 -4021 -4220 -11169 -12379 -1891 -8749 2592 -2132 4505 -688 2145 -4585 -2523 1683 -6606 478 -3616 -253 642 -8106 -979 -2898 -41 -2617 -2579 -848 4735 -2446 -175 -723 -1007 -3768 -3561 -442 448 -69 -2308 -1245 -1029 -457 -2031 -898 1571 -1001 887 369 1441 -210 2401 2189 3483 1287 629 2965 61 1926 95 261 630 759 -1393 137 516 -284 507 -396 787 -1796 -1632 -2924 900000 -7163 3401 -5658 -1374 -4966 -1218 -2353 -1180 926 1912 900000 782 900000 -3168 1467 900000 489 499 -1570 900000 829 660 427 1044 -5139 279 -5039 -3761 900000 -134 -2569 1599 162 1124 900000 1521 2225 1291 1318 2837 2521 2607 1275 2923 -318 503 -831 1841 2383 1746 4202 2081 1822 2221 3971 3599 4955 212 2959 2684 912 2450 1823 3637 4228 3867 2253 6122 2958 5477 1250 3379 -1041 -980 -2594 -2972 -460 -2718 854 -850 1866 -322 1033 -2497 -1409 927 -3950 258 -1918 -122 299 -4286 -542 -1924 -31 -2187 -2395 -800 4384 -2207 -140 -558 -811 -3311 -3314 -430 478 -77 -3016 -1758 -1505 -660 -2886 -1220 2077 -1408 1288 559 2151 -307 3272 3133 4771 1748 843 4016 95 3147 178 536 1378 1769 -3547 362 1404 -789 1394 -1065 1966 -4283 -3690 SS 20201219T085702.9Z 7658.372951 89 1 49.89 2 82.72 146.84 110.47 92.07 0.00 1 0.00 1 0 17 5.247e-01 1.655e-02 3.461e-01 8.439e-03 7.676107e-01 4.716251e-03 9.216424e-03 -6.000000e+00 3.058173e-01 220.17 -2.00 3.88 -2.00 321.83 0.00e+00 4.396644e-03 2.056967e-03 1.161177e-03 -6.000000e+00 1.333364e-02 267.24 -2.00 20.00 -2.00 321.48 0.00e+00 7.297 0.009 302.00 328.00 3 9.6805e-01 1.5083e-02 8.4476e-02 -6.0000e+00 7.5258e-01 4.3846e-01 2.1726e-02 4.5449e-02 -6.0000e+00 8.2302e-01 -5.1389e-01 2.5363e-02 2.6404e-02 -6.0000e+00 4.8459e-01 2.0536e-01 1.2394e-02 9.3533e-03 -6.0000e+00 2.0484e-01 7.3810e-05 -1.4394e-03 2.6441e-04 1.4018e-04 -6.0000e+00 1.5960e-02 2.9406e-03 2.8491e-05 12 8 8 10 0 0 78.43 22.07 0.43 0.00294 -0.00788 94 18 1 5 0 530.692 25.17 20.00 22.07 12.52 21.6 1004.34 -183572 900000 -111873 -115180 -145585 -252513 900000 -129693 -96805 -70411 900000 -193057 15760 -127945 -72155 -35050 -111191 57804 -96061 -14657 -95346 42642 -72082 99996 19773 -53236 124033 -63892 61221 -64358 114549 -16463 89977 5267 23530 19936 -33975 56575 -15795 75157 -6938 78502 -1879 18982 17200 20411 27875 14669 38431 13854 45424 -569 35261 7617 19119 4631 7373 6713 2817 21945 -3906 19318 1943 16520 3788 11332 4738 3260 9631 -1754 9574 1434 8032 -1892 7490 -2141 4414 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