File name: Pandora85s1_NewOrleansLA-XULA_20250912_L2Fit_fout2c5d20250716p1-8.txt File generation date: 20260326T092310.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Morewell Gasseller Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 85 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora85_OF_v3d20231120.txt Instrument calibration file used: Pandora85s1_CF_v5d20250716.txt Level 1 file used: Pandora85s1_NewOrleansLA-XULA_20250912_L1_smca1c5d20250716p1-8.txt Full location name: Xavier University of Louisiana Short location name: NewOrleansLA-XULA Country of location: United States Location latitude [deg]: 29.9643 Location longitude [deg]: -90.1074 Location altitude [m]: 10 Local noon date: 20250912 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: None First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0150 305.1556 305.2961 305.4367 305.5772 305.7178 305.8583 305.9988 306.1393 306.2798 306.4203 306.5608 306.7012 306.8417 306.9821 307.1226 307.2630 307.4034 307.5438 307.6842 307.8245 307.9649 308.1052 308.2456 308.3859 308.5262 308.6665 308.8068 308.9471 309.0874 309.2276 309.3679 309.5081 309.6484 309.7886 309.9288 310.0690 310.2091 310.3493 310.4895 310.6296 310.7698 310.9099 311.0500 311.1901 311.3302 311.4703 311.6104 311.7504 311.8905 312.0305 312.1705 312.3105 312.4505 312.5905 312.7305 312.8705 313.0104 313.1504 313.2903 313.4302 313.5702 313.7101 313.8499 313.9898 314.1297 314.2695 314.4094 314.5492 314.6891 314.8289 314.9687 315.1085 315.2482 315.3880 315.5278 315.6675 315.8072 315.9469 316.0867 316.2264 316.3660 316.5057 316.6454 316.7850 316.9247 317.0643 317.2039 317.3435 317.4831 317.6227 317.7623 317.9019 318.0414 318.1809 318.3205 318.4600 318.5995 318.7390 318.8785 319.0179 319.1574 319.2969 319.4363 319.5757 319.7151 319.8545 319.9939 320.1333 320.2727 320.4120 320.5514 320.6907 320.8300 320.9694 321.1087 321.2479 321.3872 321.5265 321.6657 321.8050 321.9442 322.0834 322.2227 322.3619 322.5010 322.6402 322.7794 322.9185 323.0577 323.1968 323.3359 323.4750 323.6141 323.7532 323.8923 324.0313 324.1704 324.3094 324.4484 324.5875 324.7265 324.8655 --------------------------------------------------------------------------------------- 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 20250912T122640.5Z 9386.518524 232 1 55.03 2 81.52 90.31 34.48 268.24 0.00 1 0.00 1 0 17 5.831e-01 3.956e-02 3.691e-01 2.273e-02 6.546463e-01 1.368050e-02 9.146573e-03 -6.000000e+00 3.507156e-01 228.66 -2.00 3.24 -2.00 321.82 0.00e+00 -4.403902e-03 7.626419e-03 1.899901e-02 -6.000000e+00 2.053358e-02 293.66 -2.00 20.00 -2.00 321.20 0.00e+00 6.378 0.003 302.00 328.00 3 2.9624e+00 5.4900e-02 1.4009e-01 -6.0000e+00 8.7811e-01 6.1866e-01 7.5900e-02 1.8259e-01 -6.0000e+00 9.6057e-01 -1.0968e+00 5.5482e-02 6.1792e-02 -6.0000e+00 5.6693e-01 4.6094e-01 2.4352e-02 1.1211e-02 -6.0000e+00 2.4520e-01 2.6896e-05 4.8976e-04 7.4458e-04 6.4334e-05 -6.0000e+00 1.7489e-02 1.8330e-02 0.0000e+00 12 9 8 11 4 0 12.92 32.00 0.89 0.01833 0.02201 19 2 1 5 0 2896.180 40.00 20.01 32.00 31.51 4.1 1027.81 -13718 900000 900000 900000 900000 900000 -64571 247340 -88383 900000 -5928 -107979 24535 900000 44725 -9958 87085 900000 44960 900000 900000 900000 -7527 -76734 -132 -58998 900000 34553 169390 50017 900000 38646 900000 900000 65954 900000 900000 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7456 -4217 3343 5026 -7873 125 -2654 -2342 -2691 1607 525 -1505 51 -3847 1484 -3929 -87 -175 -2777 3293 156 -3884 6279 -3146 -3533 -3533 -4257 -4273 -2323 -9014 -9475 2343 4578 170 692 6347 319 3021 2443 1145 463 -2436 -4613 3588 -3330 6111 4149 -1623 4840 2105 3586 -112 3394 591 -3264 1522 -5983 -5295 -1361 -931 3920 -3279 5730 4225 4162 -378 -2013 -2479 -5508 SS 20250912T123953.5Z 9386.527703 237 1 53.83 2 78.66 91.97 37.26 269.95 0.00 1 0.00 1 0 17 3.924e-01 1.360e-02 1.590e-01 4.323e-03 5.604699e-01 2.346450e-03 7.756716e-03 -6.000000e+00 2.287916e-01 228.66 -2.00 3.24 -2.00 321.11 0.00e+00 4.180690e-03 1.127123e-03 8.341908e-03 -6.000000e+00 1.049954e-02 293.66 -2.00 20.00 -2.00 320.41 0.00e+00 4.911 0.001 302.00 328.00 3 2.3298e+00 8.1135e-03 6.9814e-02 -6.0000e+00 5.6740e-01 2.4028e-02 1.0938e-02 6.3213e-02 -6.0000e+00 6.1245e-01 -1.4079e-01 9.8687e-03 2.1605e-02 -6.0000e+00 3.6713e-01 4.9997e-02 4.7751e-03 5.2131e-03 -6.0000e+00 1.5873e-01 2.2723e-04 3.6639e-04 1.2954e-04 7.2378e-05 -6.0000e+00 1.0935e-02 1.8025e-02 0.0000e+00 12 9 8 11 4 0 21.73 32.17 0.66 0.01802 0.02078 71 8 1 5 0 758.030 40.00 20.01 32.17 32.48 4.1 1031.31 -174070 -12422 -130750 -134562 -111095 -107633 -130948 -91667 -119638 -113978 -141061 -146883 -75570 50363 -62584 -23974 -7117 -65737 -4918 -1342 -11288 1947 -32910 44826 -30945 25777 -11226 -22506 -34885 -12775 -11005 -1754 -3121 -2570 -5649 -7286 -3835 10409 -5886 -8357 3702 14224 -4208 514 2584 1733 4844 4057 6251 6314 3832 4249 636 5955 9497 4485 3801 -2594 8036 2380 5451 4375 8648 7691 5348 1872 904 3098 2765 3182 2299 1813 2052 2788 957 -2419 -4124 -4485 -3357 -5024 -1228 -1916 -2575 -3069 -768 -56 -1032 2541 2104 1923 856 754 -2276 -863 -1249 -2568 254 446 842 -1954 -1893 -2906 -1910 -2118 -1642 -2542 -2356 482 10 1332 1940 1832 1594 759 632 -390 -244 -675 807 761 458 1077 978 996 53 215 -1535 638 -89 -612 -748 -429 -636 -731 221 -56 -32 1016 308 -147 232 -244 -783 -3136 -52 -1955 -2063 -1235 -1114 -1807 -949 -1834 -1791 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302.00 328.00 3 2.1031e+00 4.6856e-03 5.8997e-02 -6.0000e+00 3.4718e-01 -4.7586e-02 6.0979e-03 4.7743e-02 -6.0000e+00 3.7475e-01 -3.3239e-02 5.4188e-03 1.5627e-02 -6.0000e+00 2.2464e-01 3.4803e-03 2.6907e-03 5.6712e-03 -6.0000e+00 9.7123e-02 4.6646e-04 5.7614e-04 7.8684e-05 6.2601e-05 -6.0000e+00 6.6910e-03 1.7882e-02 0.0000e+00 12 9 8 11 4 0 20.61 32.27 0.59 0.01788 0.02221 111 12 1 5 0 486.890 40.25 20.01 32.27 32.67 4.1 1031.86 -105054 -32108 61998 -17187 -76451 -110844 -81317 45704 -72432 -96955 -69279 -72040 -18710 -71560 -32860 -7980 -6596 -16157 -34353 -24543 -16737 7537 -10109 6175 -8068 -1134 4338 7392 -17827 -8408 -10169 -9024 3892 -1415 -19584 -9109 -3327 889 4454 4418 -347 3700 -645 -4817 -43 1756 2315 3561 -3113 320 25 1750 4967 51 3730 2177 3422 801 -265 110 2165 1248 2280 4009 3527 1743 1793 -1023 841 2520 2631 1135 576 -7 -799 -1280 -582 -4218 -4352 -3134 -1211 -1428 -1861 -1888 -1149 53 1114 1125 2166 1754 696 33 -1176 -1901 -652 -2391 -300 748 691 -997 -1187 -2453 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