File name: Pandora134s1_BristolPA_20250817_L2Fit_fout2c5d20230501p1-8.txt File generation date: 20250818T052436.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 134 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora134_OF_v6d20200325.txt Instrument calibration file used: Pandora134s1_CF_v5d20230501.txt Level 1 file used: Pandora134s1_BristolPA_20250817_L1_smca1c5d20230501p1-8.txt Full location name: Bristol, Pennsylvania; Philadelphia-Camden-Wilmington, PA-NJ-DE-MD; A420170012 Short location name: BristolPA Country of location: United States Location latitude [deg]: 40.1074 Location longitude [deg]: -74.8824 Location altitude [m]: 10 Local noon date: 20250817 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 3 for VP from 20230501 First and last pixel inside fitting window: 234 375 Nominal wavelengths inside fitting window [nm]: 305.0892 305.2306 305.3720 305.5133 305.6546 305.7959 305.9373 306.0785 306.2198 306.3611 306.5024 306.6436 306.7849 306.9261 307.0673 307.2085 307.3497 307.4909 307.6320 307.7732 307.9144 308.0555 308.1966 308.3377 308.4788 308.6199 308.7610 308.9021 309.0431 309.1842 309.3252 309.4662 309.6073 309.7483 309.8893 310.0302 310.1712 310.3122 310.4531 310.5940 310.7350 310.8759 311.0168 311.1577 311.2985 311.4394 311.5803 311.7211 311.8619 312.0027 312.1436 312.2844 312.4251 312.5659 312.7067 312.8474 312.9882 313.1289 313.2696 313.4103 313.5510 313.6917 313.8324 313.9730 314.1137 314.2543 314.3950 314.5356 314.6762 314.8168 314.9574 315.0979 315.2385 315.3790 315.5196 315.6601 315.8006 315.9411 316.0816 316.2221 316.3625 316.5030 316.6435 316.7839 316.9243 317.0647 317.2051 317.3455 317.4859 317.6262 317.7666 317.9069 318.0473 318.1876 318.3279 318.4682 318.6085 318.7488 318.8890 319.0293 319.1695 319.3097 319.4500 319.5902 319.7304 319.8705 320.0107 320.1509 320.2910 320.4312 320.5713 320.7114 320.8515 320.9916 321.1317 321.2717 321.4118 321.5518 321.6919 321.8319 321.9719 322.1119 322.2519 322.3919 322.5318 322.6718 322.8117 322.9516 323.0916 323.2315 323.3714 323.5112 323.6511 323.7910 323.9308 324.0707 324.2105 324.3503 324.4901 324.6299 324.7697 324.9094 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20250817T111745.5Z 9360.470665 236 1 51.31 2 78.84 82.00 14.84 149.12 0.00 1 0.00 1 0 33 4.153e-01 2.810e-02 3.439e-01 1.995e-02 5.854313e-01 1.123129e-02 6.703083e-03 -6.000000e+00 2.421934e-01 231.63 -2.00 3.49 -2.00 321.31 0.00e+00 -2.184108e-03 5.516190e-03 7.292828e-04 -6.000000e+00 1.233494e-02 290.69 -2.00 20.00 -2.00 320.66 0.00e+00 4.981 0.002 302.00 328.00 3 3.9999e+00 4.0244e-02 5.8967e-02 -6.0000e+00 6.1093e-01 1.5511e-01 5.2893e-02 3.2494e-02 -6.0000e+00 6.6375e-01 -3.5480e-01 4.4772e-02 1.5699e-02 -6.0000e+00 3.9236e-01 1.7505e-01 2.1395e-02 5.3430e-03 -6.0000e+00 1.7052e-01 3.7426e-05 -7.7822e-04 6.0422e-04 5.6689e-05 -6.0000e+00 1.1102e-02 -5.1248e-03 0.0000e+00 12 8 8 10 0 0 78.79 21.50 0.46 -0.00512 -0.01097 13 2 1 5 0 3946.462 27.15 20.01 21.50 30.11 34.4 1014.59 900000 900000 -171653 114139 68786 -88137 -224579 900000 -146438 900000 900000 -61648 -102966 900000 -82382 900000 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4.5904e-01 8.2463e-02 1.5786e-02 8.7697e-03 -6.0000e+00 1.9787e-01 5.2650e-05 -1.7964e-03 4.4484e-04 8.3998e-05 -6.0000e+00 1.3050e-02 -4.3942e-03 0.0000e+00 12 8 8 10 0 0 89.21 21.51 0.14 -0.00439 -0.01789 13 2 1 5 0 3894.409 27.26 20.00 21.51 30.10 34.4 1014.53 -44192 -197010 -162164 900000 32823 900000 -108966 37507 -141913 900000 -128898 32335 -39886 900000 -42120 115576 -37849 283540 -55808 115815 54968 -14742 19186 900000 42260 73922 76106 183225 -66064 -24849 9868 -12228 130481 -15700 55047 -28216 26040 14593 29692 -8337 31301 -8983 8195 -3950 24998 -2082 -2353 3949 23286 -7170 24358 22141 24155 326 18765 2221 5184 14864 5181 -3756 -2519 3374 13572 10612 5965 6024 -5937 -1830 -7822 7323 -735 1205 137 7975 2226 -2310 -4113 1874 -4918 1312 -6606 2624 -5181 1734 543 503 2196 -2106 2313 2512 -959 -3626 -336 -4571 -996 -4014 -2910 -231 1914 -1784 1088 -860 1694 -2640 -905 -2528 511 462 449 -444 1824 -6 1629 -957 -355 -2503 -1718 -1362 1626 1443 156 252 1231 446 470 -1641 1114 1927 519 1525 -386 674 -1079 674 -375 590 327 1177 -684 178 -1237 -1578 -654 -8087 -5086 900000 486 900000 -1854 555 -4035 900000 -3450 479 -650 900000 -1081 1711 -1193 4198 -2428 1715 905 -458 449 900000 899 1219 1232 2713 -3878 -1073 362 -645 2057 -1008 1704 -1915 1175 875 1866 -879 2477 -1106 896 -497 2425 -269 -309 501 2531 -1115 3091 3177 3677 67 3346 480 1111 2871 1072 -846 -595 840 3458 3071 1827 1757 -1898 -584 -2987 2771 -324 537 60 3050 816 -798 -1374 612 -1965 580 -3630 1480 -3369 1113 379 374 1685 -1718 1789 1846 -677 -2445 -212 -3186 -762 -3622 -2979 -259 2199 -2062 1121 -814 1504 -2601 -942 -2810 584 565 603 -666 2879 -9 2547 -1452 -505 -3563 -2508 -2096 2589 2360 254 394 1858 654 665 -2259 1477 2748 843 2693 -739 1328 -2260 1479 -882 1421 802 2905 -1689 416 -2767 -3386 SS 20250817T112849.8Z 9360.478354 242 1 50.38 2 76.74 83.73 13.90 158.04 0.00 1 0.00 1 0 25 2.399e-01 1.144e-02 2.662e-01 8.649e-03 5.128488e-01 4.617814e-03 5.926060e-03 -6.000000e+00 1.384341e-01 231.63 -2.00 3.49 -2.00 320.85 0.00e+00 2.195279e-03 1.983590e-03 1.770015e-03 -6.000000e+00 6.414639e-03 290.69 -2.00 20.00 -2.00 320.14 0.00e+00 4.248 0.001 302.00 328.00 3 3.7129e+00 1.5307e-02 5.1785e-02 -6.0000e+00 3.4782e-01 3.3279e-02 1.9796e-02 3.2009e-02 -6.0000e+00 3.7617e-01 -8.2828e-02 1.7872e-02 1.3714e-02 -6.0000e+00 2.2265e-01 3.3698e-02 8.8546e-03 6.5243e-03 -6.0000e+00 9.5663e-02 1.0671e-04 -2.2277e-04 2.5335e-04 4.7531e-05 -6.0000e+00 6.2770e-03 -6.5425e-03 0.0000e+00 12 8 8 10 0 0 -10.29 21.52 0.35 -0.00654 -0.00822 22 4 1 5 0 2289.514 27.26 20.00 21.52 30.17 34.4 1015.05 -47295 -38285 25421 78640 -89013 -77751 -112495 900000 -86293 900000 -45512 83643 -5008 -56489 73905 21711 3905 -19686 39126 25468 -22883 5364 45782 -14931 46208 17610 23781 -40521 -8924 -21457 -4297 1061 3356 -27145 17607 8102 -23207 -13787 18833 2732 10230 6601 8894 -263 -9271 -5255 -1552 1879 5748 3192 245 5542 200 5446 -1304 13023 -6334 1652 1749 3057 -5927 3316 3634 -168 -598 842 1201 1015 138 1684 1465 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