File name: Pandora162s1_Brussels-Uccle_20240802_L2Fit_fout2c13d20231120p1-8.txt File generation date: 20240912T133629.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c13p1-8 Local principal investigator: Michel Van Roozendael Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 162 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora162_OF_v8d20191031.txt Instrument calibration file used: Pandora162s1_CF_v13d20231120.txt Level 1 file used: Pandora162s1_Brussels-Uccle_20240802_L1_smca1c13d20231120p1-8.txt Full location name: Uccle (BIRA-IASB, KMI-IRM) Short location name: Brussels-Uccle Country of location: Belgium Location latitude [deg]: 50.7980 Location longitude [deg]: 4.3580 Location altitude [m]: 107 Local noon date: 20240802 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: Based on session 12 for fieldcal First and last pixel inside fitting window: 225 367 Nominal wavelengths inside fitting window [nm]: 305.0129 305.1537 305.2944 305.4352 305.5759 305.7166 305.8573 305.9980 306.1387 306.2793 306.4200 306.5606 306.7012 306.8419 306.9825 307.1231 307.2637 307.4042 307.5448 307.6853 307.8259 307.9664 308.1069 308.2474 308.3879 308.5284 308.6689 308.8093 308.9498 309.0902 309.2306 309.3710 309.5114 309.6518 309.7922 309.9326 310.0729 310.2133 310.3536 310.4939 310.6342 310.7745 310.9148 311.0551 311.1953 311.3356 311.4758 311.6161 311.7563 311.8965 312.0367 312.1769 312.3170 312.4572 312.5973 312.7375 312.8776 313.0177 313.1578 313.2979 313.4380 313.5780 313.7181 313.8581 313.9982 314.1382 314.2782 314.4182 314.5582 314.6982 314.8381 314.9781 315.1180 315.2579 315.3978 315.5378 315.6776 315.8175 315.9574 316.0973 316.2371 316.3769 316.5168 316.6566 316.7964 316.9362 317.0759 317.2157 317.3555 317.4952 317.6349 317.7746 317.9144 318.0541 318.1937 318.3334 318.4731 318.6127 318.7524 318.8920 319.0316 319.1712 319.3108 319.4504 319.5899 319.7295 319.8690 320.0086 320.1481 320.2876 320.4271 320.5666 320.7061 320.8455 320.9850 321.1244 321.2638 321.4033 321.5427 321.6821 321.8214 321.9608 322.1002 322.2395 322.3788 322.5182 322.6575 322.7968 322.9361 323.0753 323.2146 323.3539 323.4931 323.6323 323.7715 323.9108 324.0499 324.1891 324.3283 324.4675 324.6066 324.7457 324.8849 --------------------------------------------------------------------------------------- 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 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 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900000 900000 -62752 900000 46180 199616 900000 29639 900000 -2789 900000 900000 900000 -95026 900000 70040 900000 900000 -133114 900000 95934 900000 40627 900000 57067 900000 59885 900000 900000 900000 900000 -70640 900000 900000 900000 -78253 900000 291844 900000 900000 83465 900000 110719 900000 36059 900000 900000 -29459 -57373 840 235446 13362 131226 900000 31088 50362 61754 27260 3211 -57345 20039 37862 900000 -31723 201765 -62436 57665 71355 23465 52140 -38652 -8684 25345 86856 54828 6822 53278 108629 483407 -32814 139761 2161 16835 -27502 -14486 -15961 47852 -18019 -32902 -28976 -27420 99548 30683 -6373 -13132 58735 19604 5731 23496 17186 16380 23950 23393 -6498 14607 -13839 41751 -5770 7615 47645 -11307 96618 15719 85202 -3806 -21588 -14555 -29871 3597 794 20982 -4535 6657 -1358 24442 22095 36277 -21973 2826 900000 19336 900000 900000 -25697 23424 900000 900000 900000 31310 900000 -20223 900000 900000 900000 900000 -15256 900000 11227 48528 900000 7206 900000 -1369 900000 900000 900000 -54821 900000 17027 900000 900000 -40531 900000 23322 900000 9877 900000 13873 900000 15145 900000 900000 900000 900000 -19726 900000 900000 900000 -22195 900000 70950 900000 900000 20291 900000 26917 900000 8766 900000 900000 -8649 -22469 204 57239 3248 31902 900000 7558 12243 15013 8301 1211 -36133 5355 9204 900000 -11188 49051 -35958 14019 17347 8728 16329 -31589 -5642 12215 23028 18804 3486 16866 26409 117520 -25837 33977 1413 10397 -27781 -12929 -13918 21474 -14765 -32770 -31005 -31115 35153 22008 -6972 -16934 41976 21903 7502 25684 19094 17466 23289 23489 -9220 17904 -22721 39628 -8534 9710 40210 -16357 47668 16966 51294 -5952 -43522 -29211 -73123 6806 1682 39142 -11220 15057 -3319 44827 39062 52978 -54861 SS 20240802T054832.2Z 8980.242039 166 1 45.22 2 76.49 78.59 53.11 90.97 0.00 1 0.00 1 0 25 5.232e-01 1.359e-02 3.439e-01 1.121e-02 6.046512e-01 6.248383e-03 7.477483e-03 -6.000000e+00 3.076354e-01 232.97 -2.00 3.79 -2.00 321.09 0.00e+00 -2.674220e-03 2.789592e-03 3.185960e-03 -6.000000e+00 1.493944e-02 283.38 -2.00 20.00 -2.00 320.51 0.00e+00 4.176 0.001 302.00 328.00 3 4.2593e+00 2.0794e-02 5.7504e-02 -6.0000e+00 7.7645e-01 2.8790e-02 2.7743e-02 4.3332e-02 -6.0000e+00 8.3889e-01 -2.4506e-02 2.7185e-02 1.8683e-02 -6.0000e+00 4.9353e-01 1.3017e-03 1.3125e-02 6.7934e-03 -6.0000e+00 2.1017e-01 6.1055e-05 -1.5068e-05 3.3395e-04 6.0820e-05 -6.0000e+00 1.4287e-02 1.1362e-03 0.0000e+00 12 8 8 10 0 0 91.70 19.12 0.51 0.00114 0.00102 15 3 4 8 0 3014.100 15.00 19.12 25.94 21.38 22.09 1.2 991.43 -251231 31579 102703 146035 900000 113024 900000 303560 210552 900000 900000 -159358 900000 -86956 46999 -64752 -75833 10952 -5168 58590 -14716 -47725 -20661 156189 2398 146618 -55764 68495 -49841 -9198 6872 -19689 12795 -24831 2962 -27919 23796 -24005 -1170 21748 -2819 14114 14042 17210 -4540 17125 -1948 11824 -2360 -9009 -6411 -303 3416 6740 9261 5028 623 2421 -104 -4924 2040 -2103 6608 4260 4918 -1474 684 5242 -3097 6618 1387 3828 128 -1099 -4428 874 2050 2927 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148 SS 20240802T055522.2Z 8980.246785 169 1 45.68 2 75.43 79.86 52.07 92.28 0.00 1 0.00 1 0 25 3.337e-01 9.359e-03 2.972e-01 8.536e-03 5.702361e-01 4.707635e-03 7.062252e-03 -6.000000e+00 1.968235e-01 232.97 -2.00 3.79 -2.00 320.88 0.00e+00 1.564968e-03 1.959992e-03 1.255973e-03 -6.000000e+00 8.625924e-03 283.38 -2.00 20.00 -2.00 320.29 0.00e+00 3.891 0.001 302.00 328.00 3 4.1883e+00 1.5126e-02 5.1388e-02 -6.0000e+00 4.9624e-01 6.0888e-02 1.9762e-02 3.4202e-02 -6.0000e+00 5.3581e-01 -5.4586e-02 1.9218e-02 1.7668e-02 -6.0000e+00 3.1574e-01 1.4244e-02 9.4477e-03 5.3498e-03 -6.0000e+00 1.3392e-01 8.6769e-05 -2.9643e-04 2.5247e-04 6.4914e-05 -6.0000e+00 9.0134e-03 1.1576e-03 0.0000e+00 12 8 8 10 0 0 99.93 19.12 0.36 0.00116 -0.00107 20 4 4 8 0 2283.470 14.99 19.12 26.24 21.38 22.09 1.2 993.39 198458 -53639 900000 -92153 -67950 -104356 900000 -121215 900000 -85057 -64611 124937 23888 900000 60207 137589 -30334 41495 -19198 14731 26750 42987 -17794 -12054 -7044 47276 13832 -44514 30291 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