File name: Pandora131s1_Palau_20230912_L2Fit_fout2c8d20220731p1-8.txt File generation date: 20230913T213749.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c8p1-8 Local principal investigator: Katrin Mueller Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 131 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora131_OF_v3d20200610.txt Instrument calibration file used: Pandora131s1_CF_v8d20220731.txt Level 1 file used: Pandora131s1_Palau_20230912_L1_smca1c8d20220731p1-8.txt Full location name: Palau Atmospheric Observatory Short location name: Palau Country of location: Palau Location latitude [deg]: 7.3420 Location longitude [deg]: 134.4722 Location altitude [m]: 23 Local noon date: 20230912 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, radiometric temperature correction, matrix method stray light correction (replaced by simple method) Data caveats: OoB data based on session 7 First and last pixel inside fitting window: 229 370 Nominal wavelengths inside fitting window [nm]: 305.1357 305.2767 305.4177 305.5587 305.6997 305.8406 305.9816 306.1225 306.2634 306.4044 306.5453 306.6862 306.8270 306.9679 307.1088 307.2496 307.3905 307.5313 307.6721 307.8129 307.9537 308.0945 308.2353 308.3760 308.5168 308.6575 308.7982 308.9389 309.0796 309.2203 309.3610 309.5017 309.6423 309.7830 309.9236 310.0642 310.2048 310.3454 310.4860 310.6266 310.7672 310.9077 311.0483 311.1888 311.3293 311.4698 311.6103 311.7508 311.8913 312.0317 312.1722 312.3126 312.4530 312.5935 312.7339 312.8743 313.0146 313.1550 313.2954 313.4357 313.5761 313.7164 313.8567 313.9970 314.1373 314.2776 314.4178 314.5581 314.6983 314.8386 314.9788 315.1190 315.2592 315.3994 315.5395 315.6797 315.8199 315.9600 316.1001 316.2402 316.3804 316.5204 316.6605 316.8006 316.9407 317.0807 317.2207 317.3608 317.5008 317.6408 317.7808 317.9207 318.0607 318.2007 318.3406 318.4805 318.6205 318.7604 318.9003 319.0401 319.1800 319.3199 319.4597 319.5996 319.7394 319.8792 320.0190 320.1588 320.2986 320.4384 320.5781 320.7179 320.8576 320.9973 321.1370 321.2767 321.4164 321.5561 321.6957 321.8354 321.9750 322.1147 322.2543 322.3939 322.5335 322.6731 322.8126 322.9522 323.0917 323.2313 323.3708 323.5103 323.6498 323.7893 323.9288 324.0682 324.2077 324.3471 324.4865 324.6260 324.7654 324.9048 --------------------------------------------------------------------------------------- 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 --------------------------------------------------------------------------------------- SS 20230911T214506.6Z 8654.906326 104 1 50.32 2 77.96 87.05 48.08 67.90 0.00 1 0.00 1 0 25 1.089e-01 4.166e-03 4.862e-02 1.694e-03 5.055495e-01 8.728161e-04 5.052349e-03 -6.000000e+00 6.115869e-02 228.13 -2.00 3.05 -2.00 320.66 0.00e+00 2.074451e-03 3.634586e-04 2.958262e-04 -6.000000e+00 2.847570e-03 294.39 -2.00 20.00 -2.00 319.87 0.00e+00 4.647 0.000 302.00 328.00 3 2.2347e-01 2.8659e-03 5.1135e-02 -6.0000e+00 1.5155e-01 5.8985e-02 3.7058e-03 2.3215e-02 -6.0000e+00 1.6435e-01 -1.0527e-02 3.2387e-03 1.1806e-02 -6.0000e+00 9.8530e-02 -7.9392e-03 1.6212e-03 4.5739e-03 -6.0000e+00 4.2780e-02 2.4787e-03 1.0527e-03 4.7867e-05 4.4645e-05 -6.0000e+00 2.8015e-03 3.6749e-02 0.0000e+00 10 0 0 10 0 0 46.68 17.82 0.13 0.03675 0.04466 238 52 4 8 0 207.020 19.99 17.82 32.68 26.00 25.90 35.2 997.50 -47655 -20513 -48080 -31855 -56804 -29251 -51542 -14795 -18529 -26427 -27575 -22685 -8403 -11145 -1755 -2888 10188 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-131 -1227 -793 -964 -468 -171 -132 234 -76 -31 60 287 337 690 208 -126 -645 -923 -68 -28 30 262 516 861 1403 613 170 -96 -25 106 -266 -203 -516 540 704 -425 -215 -1015 -126 406 SS 20230911T215213.1Z 8654.911263 107 1 51.20 2 76.20 87.26 46.48 67.53 0.00 1 0.00 1 0 25 3.185e-02 4.243e-03 2.581e-02 1.200e-03 4.524164e-01 6.082782e-04 4.542048e-03 -6.000000e+00 1.787888e-02 228.13 -2.00 3.05 -2.00 320.19 0.00e+00 1.655810e-03 2.148288e-04 2.461753e-04 -6.000000e+00 8.324365e-04 294.39 -2.00 20.00 -2.00 319.33 0.00e+00 4.094 0.000 302.00 328.00 3 2.5188e-01 1.8727e-03 4.5266e-02 -6.0000e+00 4.4304e-02 4.8162e-02 2.3251e-03 2.1056e-02 -6.0000e+00 4.8045e-02 -1.8629e-03 1.9167e-03 1.0225e-02 -6.0000e+00 2.8804e-02 -1.0219e-02 9.8829e-04 4.0491e-03 -6.0000e+00 1.2506e-02 4.3186e-03 1.1580e-03 3.3813e-05 3.5408e-05 -6.0000e+00 8.1898e-04 3.6631e-02 0.0000e+00 10 0 0 10 0 0 1.48 17.83 0.16 0.03663 0.04533 330 72 2 8 0 149.240 20.00 17.83 33.44 26.00 25.90 35.4 1002.75 -45 -8479 -9442 2290 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-613 -336 -275 324 516 806 741 891 1015 663 402 563 605 227 -118 -202 -76 -6 119 -1053 -956 -778 -633 -12 -73 -92 -310 59 69 141 598 313 363 -78 -954 -984 -347 55 -27 642 198 949 1260 803 381 -196 41 28 48 -311 -274 399 607 -85 -491 -668 -258 119 SS 20230911T220815.0Z 8654.922396 115 1 52.05 2 72.23 87.73 42.88 66.53 0.00 1 0.00 1 0 17 1.487e-02 4.531e-03 5.588e-03 5.952e-04 3.630793e-01 2.971435e-04 3.692069e-03 -6.000000e+00 8.346239e-03 228.13 -2.00 3.05 -2.00 319.25 0.00e+00 6.471108e-04 7.733197e-05 2.365173e-04 -6.000000e+00 3.887026e-04 294.39 -2.00 20.00 -2.00 318.31 0.00e+00 3.230 0.000 302.00 328.00 3 5.0850e-02 8.4382e-04 3.5816e-02 -6.0000e+00 2.0682e-02 3.6022e-02 9.9570e-04 1.6690e-02 -6.0000e+00 2.2431e-02 -3.3246e-03 7.1777e-04 7.9996e-03 -6.0000e+00 1.3448e-02 -5.9043e-03 3.7867e-04 2.5630e-03 -6.0000e+00 5.8363e-03 1.3497e-02 9.3121e-04 1.6791e-05 2.3088e-05 -6.0000e+00 3.8242e-04 3.9313e-02 0.0000e+00 10 0 0 10 0 0 99.75 17.83 0.17 0.03931 0.04631 611 133 2 8 0 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