File name: Pandora21s1_Bremen_20211211_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T094255.9Z 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_20211211_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: 20211211 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 20211211T082718.5Z 8015.352298 88 1 50.86 2 84.63 141.19 124.51 50.65 0.00 1 0.00 1 0 25 4.851e-01 5.614e-02 4.472e-01 4.661e-02 1.082869e+00 2.992225e-02 1.332766e-02 -6.000000e+00 2.928455e-01 220.07 -2.00 3.88 -2.00 322.19 0.00e+00 1.350643e-02 1.111468e-02 1.295781e-03 -6.000000e+00 1.590619e-02 268.00 -2.00 20.00 -2.00 321.85 0.00e+00 9.330 0.018 302.00 328.00 3 6.0886e-01 9.3478e-02 1.1100e-01 -6.0000e+00 7.2357e-01 2.2772e+00 1.0724e-01 5.9332e-02 -6.0000e+00 7.9864e-01 -2.3720e+00 7.5478e-02 3.1718e-02 -6.0000e+00 4.6522e-01 8.8191e-01 4.4451e-02 1.0844e-02 -6.0000e+00 1.9739e-01 6.5457e-06 -2.3507e-03 1.3532e-03 1.8980e-04 -6.0000e+00 1.5824e-02 -1.0428e-02 3.5675e-07 12 9 8 11 8 0 61.36 22.13 1.20 -0.01043 -0.02809 21 4 1 5 0 2421.427 25.17 20.00 22.13 9.06 26.6 998.72 194878 900000 -24541 900000 17893 900000 101898 -29014 -33149 900000 900000 -39269 900000 -30444 900000 34555 900000 55143 108043 900000 900000 900000 -3239 900000 -54488 900000 35315 900000 -62475 110523 900000 -54084 900000 10053 900000 -34579 900000 13955 900000 87883 172385 52145 900000 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2861 5080 2847 4587 -2784 775 3689 3040 -2303 -2131 4183 3282 7120 4214 8831 -2107 11265 -2846 4643 -3085 -3772 -5903 764 6236 469 -4329 -4210 7523 -8734 2314 521 -415 -5478 -967 -5505 -8502 -871 -17135 3772 -293 10886 1432 -9114 6141 -4024 3939 -7591 7267 -13017 8226 4708 1805 4697 7827 4478 -1242 9658 -10052 8950 -2385 8292 -1775 -4141 4834 -3684 2704 -142 6821 -12575 4599 -2608 -1776 SS 20211211T083900.5Z 8015.360423 91 1 49.86 2 83.56 143.67 123.14 53.57 0.00 1 0.00 1 0 25 7.705e-01 3.477e-02 4.104e-01 2.233e-02 9.922580e-01 1.354260e-02 1.198035e-02 -6.000000e+00 4.586000e-01 220.07 -2.00 3.88 -2.00 322.28 0.00e+00 2.538225e-03 5.655582e-03 1.499239e-03 -6.000000e+00 2.053727e-02 267.99 -2.00 20.00 -2.00 321.92 0.00e+00 8.078 0.012 302.00 328.00 3 1.1833e+00 4.4104e-02 9.8043e-02 -6.0000e+00 1.1330e+00 1.4726e+00 5.3998e-02 5.6776e-02 -6.0000e+00 1.2472e+00 -1.9507e+00 4.7619e-02 3.2336e-02 -6.0000e+00 7.3216e-01 7.9165e-01 2.5896e-02 1.1534e-02 -6.0000e+00 3.0515e-01 1.9401e-05 -2.0525e-03 6.7046e-04 1.9033e-04 -6.0000e+00 2.3914e-02 -1.2001e-02 1.2387e-04 12 9 8 11 8 0 99.02 22.14 0.63 -0.01200 -0.02742 51 10 1 5 0 977.591 25.17 20.00 22.14 10.15 26.6 1005.12 134985 7069 900000 -50443 900000 -34086 401809 -51562 142675 -72560 -4204 -46401 -72318 69209 -55063 900000 17881 900000 95299 900000 91350 44082 900000 -36937 900000 -60545 900000 -62557 900000 219565 900000 92196 -31507 900000 29699 900000 -64903 239091 -25982 208240 45855 23931 154469 13656 246410 15700 328905 -12028 145823 37396 39858 75532 18968 145822 16045 155971 11823 152188 1826 28308 11904 15118 30196 -6454 25332 200 82822 8885 55893 24238 41280 35991 33116 9478 -3728 10509 -10249 27394 18680 24181 4886 10780 538 2462 22519 3238 5958 -6927 10080 -3806 2028 -14661 -4445 2253 -5747 -1667 -9310 -3930 -6476 3697 -6517 667 -5030 -1272 -2270 -8019 496 -3383 -469 -6350 2606 -2358 1956 763 209 2145 -1876 -492 -3265 266 732 2911 1417 1232 2853 1749 2949 2136 3417 -1489 2030 -642 1259 -865 1568 422 -323 866 -1825 511 -1373 1252 -2404 2933 302 900000 -3117 900000 -1308 8729 -2161 3100 -3613 -109 -1914 -4457 1504 -4154 900000 833 900000 2201 900000 1985 1358 900000 -2319 900000 -4667 900000 -4304 900000 4770 900000 2003 -2411 900000 1269 900000 -6211 5194 -2166 4524 2427 1613 3356 1002 5353 1072 7145 -1078 3168 2373 2689 4021 1837 4646 1775 4838 1395 4762 216 2476 1184 1539 2987 -1002 3199 33 6427 1407 6275 4048 6412 6079 5633 1866 -746 1651 -1812 3507 2900 4228 1207 2914 178 862 6904 1243 2316 -3105 3845 -1600 767 -6158 -1676 841 -2620 -863 -6134 -2871 -5434 2949 -5562 485 -3465 -799 -1477 -5829 353 -2696 -406 -6701 2912 -3084 2609 1047 284 2798 -2540 -678 -4842 394 1069 3978 1866 1574 3496 2115 3470 2625 4686 -2503 3781 -1357 2831 -2134 4051 1165 -925 2474 -5309 1408 -3595 2946 -5488 SS 20211211T110925.5Z 8015.464879 164 1 3.41 2 76.14 177.94 102.42 85.82 0.00 1 0.00 1 0 25 2.811e-01 1.161e-02 2.185e-01 8.474e-03 5.935182e-01 4.379596e-03 7.742053e-03 -6.000000e+00 1.626800e-01 220.06 -2.00 3.88 -2.00 319.98 0.00e+00 1.868085e-03 1.289056e-03 3.895094e-04 -6.000000e+00 6.732964e-03 267.98 -2.00 20.00 -2.00 319.70 0.00e+00 4.081 0.001 302.00 328.00 3 2.9226e+00 1.2133e-02 5.2035e-02 -6.0000e+00 4.0009e-01 1.0587e-01 1.4702e-02 3.3246e-02 -6.0000e+00 4.3707e-01 -5.9354e-02 1.4564e-02 1.7730e-02 -6.0000e+00 2.5836e-01 1.2604e-02 7.7712e-03 5.6124e-03 -6.0000e+00 1.0895e-01 2.4944e-04 -1.9163e-03 2.4801e-04 7.1509e-05 -6.0000e+00 8.4217e-03 -8.8482e-03 -1.1456e-04 12 9 9 12 1 1 96.63 22.14 0.16 -0.00885 -0.02325 3 12 1 5 0 809.504 25.17 20.00 22.14 10.90 26.4 1008.84 44952 164173 -80386 -4929 -42810 -109550 -80605 -57436 -94386 -63723 -66326 -96807 61259 -33670 64175 18028 18641 33943 417 60296 -48128 -6457 5115 24569 -9824 6683 -19150 17641 307 -7352 -3823 -35983 31922 -12731 17259 7773 -260 492 770 9088 1450 -2501 -5015 3130 -3334 4469 -1071 -1329 732 489 2111 99 7449 2947 6660 -2795 3920 -1211 2121 -1670 572 3487 2695 3568 834 3145 -595 1381 -890 1523 -2027 -1410 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