File name: Pandora143s1_LibertyTX_20250513_L2Fit_fout2c9d20230920p1-8.txt File generation date: 20250514T062828.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c9p1-8 Local principal investigator: Yuxuan Wang Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 143 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora143_OF_v1d20230920.txt Instrument calibration file used: Pandora143s1_CF_v9d20230920.txt Level 1 file used: Pandora143s1_LibertyTX_20250513_L1_smca1c9d20230920p1-8.txt Full location name: Sam Houston Regional Library and Research Center Short location name: LibertyTX Country of location: United States Location latitude [deg]: 30.0965 Location longitude [deg]: -94.7635 Location altitude [m]: 3 Local noon date: 20250513 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 242 384 Nominal wavelengths inside fitting window [nm]: 305.0307 305.1715 305.3123 305.4532 305.5940 305.7348 305.8756 306.0164 306.1572 306.2979 306.4387 306.5794 306.7201 306.8609 307.0016 307.1423 307.2829 307.4236 307.5643 307.7049 307.8456 307.9862 308.1268 308.2674 308.4080 308.5486 308.6892 308.8297 308.9703 309.1108 309.2513 309.3919 309.5324 309.6729 309.8133 309.9538 310.0943 310.2347 310.3752 310.5156 310.6560 310.7964 310.9368 311.0772 311.2175 311.3579 311.4982 311.6386 311.7789 311.9192 312.0595 312.1998 312.3401 312.4804 312.6206 312.7609 312.9011 313.0413 313.1815 313.3217 313.4619 313.6021 313.7423 313.8824 314.0226 314.1627 314.3028 314.4429 314.5830 314.7231 314.8632 315.0033 315.1433 315.2834 315.4234 315.5634 315.7034 315.8434 315.9834 316.1234 316.2633 316.4033 316.5432 316.6831 316.8231 316.9630 317.1029 317.2427 317.3826 317.5225 317.6623 317.8022 317.9420 318.0818 318.2216 318.3614 318.5012 318.6409 318.7807 318.9204 319.0602 319.1999 319.3396 319.4793 319.6190 319.7587 319.8983 320.0380 320.1776 320.3173 320.4569 320.5965 320.7361 320.8757 321.0153 321.1548 321.2944 321.4339 321.5734 321.7129 321.8524 321.9919 322.1314 322.2709 322.4104 322.5498 322.6892 322.8287 322.9681 323.1075 323.2469 323.3862 323.5256 323.6650 323.8043 323.9436 324.0829 324.2223 324.3616 324.5008 324.6401 324.7794 324.9186 --------------------------------------------------------------------------------------- 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 given --------------------------------------------------------------------------------------- SS 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900000 900000 900000 900000 900000 -23943 900000 900000 900000 44400 900000 27854 311744 900000 900000 201697 191297 900000 -70838 900000 900000 900000 900000 900000 29920 900000 900000 -7249 900000 -30717 900000 38909 900000 182314 236878 105168 900000 130080 49850 217966 72192 82736 22936 900000 -15346 76768 32144 26795 161985 900000 73877 13988 900000 -21852 69109 32850 219001 13846 86298 22102 144036 264402 44953 67188 16795 14359 -11082 3555 -4689 7636 106170 -23497 -35702 27824 -16804 10151 3594 -19565 -37457 -17514 11695 -28763 73740 5780 900000 101912 900000 25472 49390 -7917 56250 140076 24333 54315 -6994 22796 20515 17947 -7977 47543 -20520 40407 -4017 -16273 -19970 6154 8157 -9412 50640 -15718 59579 10190 -8149 900000 900000 1190 900000 900000 900000 10866 46414 -5510 14727 900000 -16129 900000 17911 900000 51165 900000 -18882 900000 19085 900000 900000 9412 900000 900000 900000 29606 900000 -25921 900000 900000 900000 900000 900000 900000 -13115 900000 900000 900000 15222 900000 16901 52202 900000 900000 33775 32033 900000 -66224 900000 900000 900000 900000 900000 13995 900000 900000 -5938 900000 -30338 900000 14970 900000 30529 39666 24318 900000 21782 17642 36499 24875 28976 14968 900000 -13606 25399 14027 10654 27125 900000 19521 7567 900000 -21264 30207 21098 36672 11552 36888 17140 33129 44275 22521 25600 10171 9514 -10589 3337 -5322 8560 48941 -35917 -54803 20247 -17292 8423 3397 -23716 -55522 -22634 12706 -51997 55386 8669 900000 58410 900000 27146 42168 -12111 48864 54678 27265 42661 -9462 22522 19957 16931 -9293 35498 -33965 42229 -6940 -33117 -44423 11436 15859 -22299 67825 -39509 71160 18188 -15747 SS 20250513T123214.0Z 9264.522384 187 1 24.01 2 77.33 75.76 99.94 246.16 0.00 1 0.00 1 0 33 1.074e+00 2.283e-01 3.906e-01 8.695e-02 6.211392e-01 4.813628e-02 9.847873e-03 -6.000000e+00 6.349097e-01 230.93 -2.00 3.25 -2.00 319.01 0.00e+00 -3.419034e-02 8.889133e-03 8.447613e-03 -6.000000e+00 3.447396e-02 289.85 -2.00 20.00 -2.00 317.84 0.00e+00 4.433 0.001 302.00 328.00 3 5.7334e+00 1.3247e-01 8.0120e-02 -6.0000e+00 1.5980e+00 1.3820e+00 1.5461e-01 1.0090e-01 -6.0000e+00 1.7541e+00 -1.1860e+00 8.7851e-02 1.6471e-02 -6.0000e+00 1.0219e+00 3.3534e-01 4.2792e-02 3.0344e-02 -6.0000e+00 4.3446e-01 6.9578e-06 7.3085e-03 2.3135e-03 1.2678e-04 -6.0000e+00 2.7927e-02 3.3982e-03 0.0000e+00 12 8 8 10 0 0 98.82 22.56 5.12 0.00340 0.05832 6 6 5 8 0 4000.000 20.01 22.56 25.40 26.00 26.21 29.1 1031.87 54597 900000 22713 152185 900000 900000 900000 49768 213709 221948 900000 -17230 900000 112249 900000 900000 46281 105426 900000 84221 900000 900000 60797 547198 174746 900000 105468 900000 270 43623 900000 199660 900000 900000 900000 -63346 900000 -93148 263470 73767 900000 29175 98870 900000 118962 900000 352903 165697 -7545 272122 98235 101658 900000 900000 101818 127215 199265 -3899 214054 -27883 107482 23618 428431 68292 33591 78082 75518 58122 36496 74709 21933 79870 -5006 112281 -26054 60325 37786 35567 70087 49069 76317 -5948 35925 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8749 -32351 19961 -1282 20396 -31674 35642 -38139 38143 6204 25735 733 15097 -9502 331 30817 -4141 15381 -25904 8188 5687 33966 5418 26210 -9574 11508 11246 -21478 31493 3442 2703 -32454 14163 -22972 26196 528 -7424 SS 20250513T123857.1Z 9264.527050 189 1 28.00 2 75.92 76.52 101.23 246.87 0.00 1 0.00 1 0 25 7.131e-01 7.978e-02 2.843e-01 2.840e-02 5.205883e-01 1.527357e-02 7.540770e-03 -6.000000e+00 4.150368e-01 230.93 -2.00 3.25 -2.00 320.46 0.00e+00 -1.987820e-02 5.001712e-03 1.099768e-02 -6.000000e+00 2.063441e-02 289.85 -2.00 20.00 -2.00 319.61 0.00e+00 4.018 0.001 302.00 328.00 3 5.5143e+00 4.6341e-02 9.0830e-02 -6.0000e+00 1.0440e+00 3.6789e-01 5.7547e-02 1.2339e-01 -6.0000e+00 1.1412e+00 -6.5015e-01 4.0669e-02 1.7945e-02 -6.0000e+00 6.6349e-01 2.7971e-01 2.0079e-02 2.8768e-02 -6.0000e+00 2.8000e-01 2.2045e-05 -3.8962e-03 8.0834e-04 1.1025e-04 -6.0000e+00 1.8786e-02 3.3678e-02 0.0000e+00 12 8 8 10 0 0 99.94 22.60 0.65 0.03368 0.00440 7 7 5 8 0 4000.000 20.01 22.60 25.64 26.00 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