File name: Pandora120s1_Davos_20241101_L2Fit_fout2c4d20240814p1-8.txt File generation date: 20241102T001515.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Julian Groebner Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 120 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora120_OF_v5d20190819.txt Instrument calibration file used: Pandora120s1_CF_v4d20240814.txt Level 1 file used: Pandora120s1_Davos_20241101_L1_smca1c4d20240814p1-8.txt Full location name: PMOD/WRC-Davos Short location name: Davos Country of location: Switzerland Location latitude [deg]: 46.8129 Location longitude [deg]: 9.8437 Location altitude [m]: 1590 Local noon date: 20241101 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: 227 368 Nominal wavelengths inside fitting window [nm]: 305.1141 305.2556 305.3971 305.5386 305.6801 305.8215 305.9630 306.1044 306.2458 306.3872 306.5286 306.6700 306.8114 306.9528 307.0941 307.2354 307.3768 307.5181 307.6594 307.8007 307.9420 308.0833 308.2245 308.3658 308.5070 308.6482 308.7895 308.9307 309.0719 309.2131 309.3542 309.4954 309.6365 309.7777 309.9188 310.0599 310.2010 310.3421 310.4832 310.6243 310.7653 310.9064 311.0474 311.1884 311.3295 311.4705 311.6114 311.7524 311.8934 312.0344 312.1753 312.3162 312.4572 312.5981 312.7390 312.8799 313.0207 313.1616 313.3025 313.4433 313.5841 313.7249 313.8658 314.0066 314.1473 314.2881 314.4289 314.5696 314.7104 314.8511 314.9918 315.1325 315.2732 315.4139 315.5546 315.6952 315.8359 315.9765 316.1171 316.2578 316.3984 316.5390 316.6795 316.8201 316.9607 317.1012 317.2417 317.3823 317.5228 317.6633 317.8038 317.9442 318.0847 318.2251 318.3656 318.5060 318.6464 318.7868 318.9272 319.0676 319.2080 319.3483 319.4887 319.6290 319.7694 319.9097 320.0500 320.1903 320.3305 320.4708 320.6111 320.7513 320.8915 321.0318 321.1720 321.3122 321.4524 321.5925 321.7327 321.8728 322.0130 322.1531 322.2932 322.4333 322.5734 322.7135 322.8536 322.9936 323.1337 323.2737 323.4137 323.5538 323.6937 323.8337 323.9737 324.1137 324.2536 324.3936 324.5335 324.6734 324.8133 324.9532 --------------------------------------------------------------------------------------- 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 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 --------------------------------------------------------------------------------------- SU 20241101T072843.4Z 9071.311613 84 1 11.17 2 78.09 126.98 78.66 130.63 0.00 1 0.00 1 0 17 7.245e-02 4.799e-03 5.922e-02 2.128e-03 5.259095e-01 1.050770e-03 6.157442e-03 -6.000000e+00 3.962864e-02 222.59 -2.00 3.62 -2.00 319.93 0.00e+00 1.464443e-03 3.231802e-04 3.106414e-04 -6.000000e+00 1.687344e-03 268.48 -2.00 20.00 -2.00 319.50 0.00e+00 4.704 0.002 302.00 328.00 3 1.6414e+00 2.9589e-03 4.7159e-02 -6.0000e+00 9.7850e-02 4.3744e-02 3.6023e-03 2.7494e-02 -6.0000e+00 1.0705e-01 -1.1502e-02 3.4642e-03 1.4398e-02 -6.0000e+00 6.3447e-02 -7.5305e-03 1.8297e-03 5.2845e-03 -6.0000e+00 2.7156e-02 1.1867e-03 1.5524e-03 5.6674e-05 4.7628e-05 -6.0000e+00 1.8289e-03 -6.7091e-03 0.0000e+00 12 1 1 12 1 1 0.66 14.12 0.21 -0.00671 0.00496 46 43 2 8 0 237.430 14.98 14.12 8.44 19.85 20.04 28.7 789.21 -31056 -7885 -18736 19333 -40784 -9902 -10544 -28093 -15309 -34356 -20593 -9674 -225 -15614 -5108 -8608 4881 -2915 -246 -8177 2143 -5612 269 -4134 -1217 -8422 -1714 -1516 -5401 -1326 -2317 3094 -989 -578 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684 101 664 -824 -828 -78 143 238 434 -143 638 1895 366 648 -28 -241 -575 -182 -412 -63 245 226 -231 -578 -338 -231 450 SU 20241101T073329.0Z 9071.314918 87 1 49.91 2 77.44 127.96 78.07 131.59 0.00 1 0.00 1 0 25 6.122e-02 4.704e-03 1.631e-02 5.806e-04 5.051367e-01 2.867451e-04 5.872411e-03 -6.000000e+00 3.348673e-02 222.59 -2.00 3.62 -2.00 320.18 0.00e+00 1.064245e-03 9.313460e-05 5.007399e-04 -6.000000e+00 1.425854e-03 268.48 -2.00 20.00 -2.00 319.74 0.00e+00 4.479 0.002 302.00 328.00 3 2.3942e-01 8.1602e-04 4.5124e-02 -6.0000e+00 8.2685e-02 3.1778e-02 1.0082e-03 2.6767e-02 -6.0000e+00 9.0457e-02 -9.5227e-03 9.9893e-04 1.3914e-02 -6.0000e+00 5.3614e-02 -7.4006e-03 5.2362e-04 4.9137e-03 -6.0000e+00 2.2947e-02 5.9277e-03 1.5495e-03 1.5862e-05 4.3376e-05 -6.0000e+00 1.5455e-03 -6.5439e-03 0.0000e+00 10 0 0 10 0 0 3.69 14.12 0.22 -0.00654 0.00510 1075 219 2 8 0 46.370 15.00 14.12 8.77 19.85 20.14 29.5 793.49 -12200 -23302 -15875 -21020 -24476 -12616 -21054 -13339 -24577 -14036 -24455 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-204 -206 496 490 821 792 694 746 502 89 487 747 -26 -124 -87 -149 106 121 -1178 -1374 -1042 -854 -242 -103 91 -365 309 76 271 518 839 250 207 -719 -959 -376 272 -386 620 55 903 1800 800 527 373 -158 -119 225 -211 -377 31 139 -525 -815 -225 -310 612 SU 20241101T073944.3Z 9071.319262 90 1 50.11 2 76.61 129.25 77.32 132.88 0.00 1 0.00 1 0 25 4.779e-02 4.823e-03 1.051e-02 4.802e-04 4.789453e-01 2.367760e-04 5.655242e-03 -6.000000e+00 2.614086e-02 222.59 -2.00 3.62 -2.00 319.95 0.00e+00 9.498782e-04 7.146824e-05 4.752160e-04 -6.000000e+00 1.113025e-03 268.48 -2.00 20.00 -2.00 319.51 0.00e+00 4.218 0.001 302.00 328.00 3 1.5379e-01 6.6162e-04 4.2619e-02 -6.0000e+00 6.4546e-02 3.1491e-02 8.0118e-04 2.5360e-02 -6.0000e+00 7.0613e-02 -1.1343e-02 7.5624e-04 1.3008e-02 -6.0000e+00 4.1852e-02 -5.8157e-03 4.0108e-04 4.4535e-03 -6.0000e+00 1.7914e-02 8.1654e-03 1.5831e-03 1.3170e-05 4.1186e-05 -6.0000e+00 1.2064e-03 -6.8833e-03 0.0000e+00 10 0 0 10 0 0 4.24 14.14 0.23 -0.00688 0.00501 1310 266 2 8 0 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