File name: Pandora253s1_TucsonAZ_20240509_L2Fit_fout2c1d20230118p1-8.txt File generation date: 20240511T125756.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Manish Naja Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 253 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora253_OF_v2d20221208.txt Instrument calibration file used: Pandora253s1_CF_v1d20230118.txt Level 1 file used: Pandora253s1_TucsonAZ_20240509_L1_smca1c1d20230118p1-8.txt Full location name: University of Arizona Department of Chemical and Environmental Engineering Short location name: TucsonAZ Country of location: United States Location latitude [deg]: 32.2330 Location longitude [deg]: -110.9530 Location altitude [m]: 779 Local noon date: 20240509 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: Full lab calibration+OOB session, absolute calibration done with an uncalibrated lamp, certificate of FEL1441 (GSFC) used First and last pixel inside fitting window: 192 334 Nominal wavelengths inside fitting window [nm]: 305.0464 305.1873 305.3281 305.4689 305.6097 305.7505 305.8913 306.0321 306.1728 306.3136 306.4543 306.5950 306.7358 306.8765 307.0171 307.1578 307.2985 307.4391 307.5798 307.7204 307.8610 308.0016 308.1422 308.2828 308.4234 308.5639 308.7045 308.8450 308.9856 309.1261 309.2666 309.4071 309.5475 309.6880 309.8285 309.9689 310.1093 310.2498 310.3902 310.5306 310.6709 310.8113 310.9517 311.0920 311.2323 311.3727 311.5130 311.6533 311.7936 311.9339 312.0741 312.2144 312.3546 312.4948 312.6351 312.7753 312.9155 313.0556 313.1958 313.3360 313.4761 313.6162 313.7564 313.8965 314.0366 314.1767 314.3167 314.4568 314.5969 314.7369 314.8769 315.0169 315.1569 315.2969 315.4369 315.5769 315.7168 315.8568 315.9967 316.1366 316.2765 316.4164 316.5563 316.6962 316.8360 316.9759 317.1157 317.2556 317.3954 317.5352 317.6750 317.8147 317.9545 318.0942 318.2340 318.3737 318.5134 318.6531 318.7928 318.9325 319.0722 319.2118 319.3515 319.4911 319.6307 319.7703 319.9099 320.0495 320.1891 320.3286 320.4682 320.6077 320.7472 320.8868 321.0263 321.1657 321.3052 321.4447 321.5841 321.7236 321.8630 322.0024 322.1418 322.2812 322.4206 322.5600 322.6993 322.8386 322.9780 323.1173 323.2566 323.3959 323.5352 323.6744 323.8137 323.9529 324.0922 324.2314 324.3706 324.5098 324.6490 324.7882 324.9273 --------------------------------------------------------------------------------------- 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 20240509T130107.9Z 8895.542453 49 1 54.87 2 84.62 72.59 95.08 55.93 0.00 1 0.00 1 0 25 6.966e-01 3.599e-02 5.235e-01 3.379e-02 1.171309e+00 2.138086e-02 1.254773e-02 -6.000000e+00 4.157236e-01 230.31 -2.00 3.29 -2.00 322.55 0.00e+00 5.387746e-03 1.079668e-02 1.615661e-02 -6.000000e+00 1.874486e-02 284.21 -2.00 20.00 -2.00 322.15 0.00e+00 9.307 0.011 302.00 328.00 3 2.7580e-01 8.2995e-02 1.4795e-01 -6.0000e+00 1.0398e+00 2.2418e+00 9.6177e-02 1.4479e-01 -6.0000e+00 1.1284e+00 -2.6308e+00 5.6293e-02 3.5520e-02 -6.0000e+00 6.6461e-01 1.0094e+00 3.2192e-02 2.1564e-02 -6.0000e+00 2.8048e-01 1.8284e-05 -3.7845e-03 8.5450e-04 1.5493e-04 -6.0000e+00 1.9753e-02 -2.8878e-02 0.0000e+00 12 8 8 10 0 0 41.92 25.38 1.11 -0.02888 -0.05732 36 3 1 5 0 1523.930 33.00 20.00 25.38 24.17 4.3 965.50 280990 2203 96959 68010 -73488 900000 81155 900000 -14302 16781 70012 -55249 155087 47229 -6686 22062 80928 61157 169945 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900000 582 3509 5297 3183 3445 2391 900000 74 1576 -1179 3221 1712 4608 4349 3543 2958 -1394 4088 1820 3189 -2254 5098 -3158 -802 -5799 -365 642 -107 4511 6021 -3591 5586 7484 2542 1312 762 1156 -303 689 -862 165 958 293 -648 -3269 -1401 1666 -1794 -95 1785 -2025 -2074 -2775 -1874 -697 -1212 -6290 492 -78 -3987 -2633 1114 -675 -487 -3166 -4158 1055 5786 5396 -11 -304 4077 4736 -2928 4051 -476 -1469 230 -706 3920 9972 38 -1492 -6917 796 2036 -448 -2484 -2135 398 SS 20240509T131317.2Z 8895.550894 52 1 54.87 2 82.15 74.13 93.00 57.54 0.00 1 0.00 1 0 17 7.542e-01 7.866e-03 3.403e-01 3.853e-03 9.459247e-01 2.270158e-03 9.673900e-03 -6.000000e+00 4.440169e-01 230.31 -2.00 3.29 -2.00 322.09 0.00e+00 3.906096e-03 1.424189e-03 1.265256e-03 -6.000000e+00 2.058000e-02 284.21 -2.00 20.00 -2.00 321.65 0.00e+00 6.837 0.004 302.00 328.00 3 4.9140e-01 9.4895e-03 8.0846e-02 -6.0000e+00 1.1109e+00 3.2963e-01 1.6280e-02 5.6272e-02 -6.0000e+00 1.2025e+00 -3.6654e-01 1.8426e-02 3.0817e-02 -6.0000e+00 7.1662e-01 1.2857e-01 8.0640e-03 1.2337e-02 -6.0000e+00 3.1013e-01 2.3490e-04 -8.7512e-04 1.0385e-04 1.5362e-04 -6.0000e+00 2.1577e-02 -3.1976e-02 0.0000e+00 11 8 0 10 0 0 39.26 25.38 0.52 -0.03198 -0.03855 170 16 1 5 0 322.740 32.75 20.00 25.38 24.53 4.3 968.54 900000 900000 -286621 900000 900000 -307790 -314174 -258306 -5020 -188371 -284576 -108778 -288201 -185797 -107950 -201276 -154156 900000 33622 -46592 -24380 -107277 -139780 -50970 -138941 -33526 -35783 -15272 -63267 -62431 -25467 -13464 -34535 -36833 -17154 -36022 -19004 -39773 -42241 -6514 42450 21611 -23218 -7627 7094 -10560 -14492 -5996 -5267 -9123 15541 2866 8603 8393 9449 16049 5263 4828 2315 9428 5866 -1538 1595 12627 6345 6851 -1109 2646 4953 2176 7775 2558 5304 6394 569 -2686 -2457 -823 -3490 -529 437 -1047 245 -345 294 161 -506 1215 449 1941 1059 819 -106 -1669 -547 -225 -740 699 77 -582 -699 -815 -223 211 -1448 -2188 -1558 -1879 -809 102 272 -208 -20 98 -556 315 728 354 481 -95 -252 305 843 564 454 -48 16 676 529 22 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7.184000e-04 -6.000000e+00 1.069927e-02 284.21 -2.00 20.00 -2.00 320.53 0.00e+00 4.961 0.002 302.00 328.00 3 3.1372e-01 1.8002e-03 5.8585e-02 -6.0000e+00 6.1078e-01 1.1217e-01 2.5302e-03 3.8124e-02 -6.0000e+00 6.5993e-01 -1.0406e-01 2.6519e-03 1.9924e-02 -6.0000e+00 3.9275e-01 2.9217e-02 1.2645e-03 8.8386e-03 -6.0000e+00 1.6711e-01 1.8056e-03 -5.7049e-04 2.6666e-05 8.4810e-05 -6.0000e+00 1.1527e-02 -3.2720e-02 0.0000e+00 10 0 0 10 0 0 9.67 25.35 0.42 -0.03272 -0.03701 519 49 1 5 0 105.630 32.75 20.00 25.35 25.45 4.3 976.05 -152289 -148688 -165287 -107318 -157231 -95900 -160670 -117133 -121591 -112277 -115208 -95688 -84754 -83729 -43328 -48447 -35554 -33341 -38110 -29640 -22420 -36888 -25177 -27066 -20608 -10215 -15799 -27128 -30920 -24704 -12620 -9972 -7429 -3860 -10242 -13786 -6155 -7468 -4941 373 -2816 -3956 1598 -1061 721 -1124 1622 958 -143 1543 -1019 2164 1839 3687 2606 1242 1561 240 -982 -138 499 1506 1886 3025 2039 1123 1560 721 1291 1254 1067 1263 1012 605 318 -422 -1107 -1795 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