File name: Pandora85s1_NewOrleansLA-XULA_20250922_L2Fit_fout2c6d20250326p1-8.txt File generation date: 20250923T055848.5Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Morewell Gasseller Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 85 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora85_OF_v3d20231120.txt Instrument calibration file used: Pandora85s1_CF_v6d20250326.txt Level 1 file used: Pandora85s1_NewOrleansLA-XULA_20250922_L1_smca1c6d20250326p1-8.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: 20250922 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: OOB session based on clearance session 3 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0210 305.1616 305.3022 305.4428 305.5834 305.7240 305.8645 306.0051 306.1456 306.2862 306.4267 306.5672 306.7077 306.8481 306.9886 307.1291 307.2695 307.4099 307.5504 307.6908 307.8312 307.9716 308.1119 308.2523 308.3927 308.5330 308.6733 308.8136 308.9540 309.0943 309.2345 309.3748 309.5151 309.6553 309.7956 309.9358 310.0760 310.2162 310.3564 310.4966 310.6368 310.7769 310.9171 311.0572 311.1973 311.3375 311.4776 311.6176 311.7577 311.8978 312.0379 312.1779 312.3179 312.4580 312.5980 312.7380 312.8780 313.0179 313.1579 313.2978 313.4378 313.5777 313.7176 313.8576 313.9974 314.1373 314.2772 314.4171 314.5569 314.6968 314.8366 314.9764 315.1162 315.2560 315.3958 315.5356 315.6753 315.8151 315.9548 316.0945 316.2342 316.3739 316.5136 316.6533 316.7930 316.9326 317.0723 317.2119 317.3515 317.4911 317.6307 317.7703 317.9099 318.0494 318.1890 318.3285 318.4681 318.6076 318.7471 318.8866 319.0261 319.1655 319.3050 319.4444 319.5839 319.7233 319.8627 320.0021 320.1415 320.2809 320.4202 320.5596 320.6989 320.8383 320.9776 321.1169 321.2562 321.3955 321.5347 321.6740 321.8133 321.9525 322.0917 322.2309 322.3701 322.5093 322.6485 322.7877 322.9268 323.0660 323.2051 323.3442 323.4834 323.6225 323.7615 323.9006 324.0397 324.1787 324.3178 324.4568 324.5958 324.7348 324.8738 --------------------------------------------------------------------------------------- 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 20250922T123124.1Z 9396.521806 49 1 54.15 2 81.66 94.74 90.57 95.53 0.00 1 0.00 1 0 17 5.986e-01 2.143e-02 3.552e-01 9.912e-03 6.731534e-01 5.698322e-03 8.346635e-03 -6.000000e+00 3.500153e-01 228.19 -2.00 3.24 -2.00 321.83 0.00e+00 8.551267e-03 3.350968e-03 9.551083e-03 -6.000000e+00 1.693421e-02 293.02 -2.00 20.00 -2.00 321.24 0.00e+00 6.472 0.003 302.00 328.00 3 1.5901e+00 2.3209e-02 8.7176e-02 -6.0000e+00 8.6543e-01 3.8673e-01 3.2286e-02 7.1614e-02 -6.0000e+00 9.3480e-01 -5.7928e-01 2.8076e-02 3.0442e-02 -6.0000e+00 5.6133e-01 2.2614e-01 1.2869e-02 5.7064e-03 -6.0000e+00 2.4430e-01 9.0602e-05 1.1440e-04 3.0387e-04 1.8113e-04 -6.0000e+00 1.7001e-02 1.2170e-02 0.0000e+00 12 9 8 11 4 0 32.07 32.39 0.74 0.01217 0.01303 46 5 1 5 0 1177.030 40.25 20.01 32.39 31.80 4.1 1028.69 -175760 900000 -161372 164715 900000 -148499 -236004 -130972 -140556 -176720 165188 174193 -23502 -149568 900000 102964 45938 28810 182382 -65232 135522 -24014 99318 900000 162487 900000 -17367 -31641 -37505 900000 59064 110658 -66 14071 7723 56678 22069 -9545 16669 100659 -11469 24145 32712 -1521 39215 7153 13462 48425 47080 14700 29096 21209 18940 27822 36558 7646 22732 -7251 20191 -7361 2137 8486 8430 27926 15274 15687 11335 3230 13278 5886 10004 5554 10343 12917 11729 -4488 -2430 -1403 -15618 1898 -10907 1690 -3573 -2064 -2029 -967 1453 901 1308 2804 -2629 -550 -3138 -1847 -5228 -1857 202 -185 -1756 -2263 -1039 -1611 -3258 1036 -4774 -2312 -1826 -29 -981 215 992 1902 1147 -62 -1455 -544 -1415 -11 -1122 190 887 2247 1559 2536 526 1830 302 -518 178 836 -864 -359 -805 413 1044 -583 731 849 166 473 -798 -1378 -983 -3536 900000 -3825 1590 900000 -2477 -9529 -1954 -2468 -4654 1595 1682 -227 -5383 900000 994 444 329 1761 -2119 1309 -506 959 900000 1569 900000 -381 -778 -955 900000 726 1068 -2 408 230 995 581 -394 629 1944 -765 1208 1579 -107 1859 477 863 2253 2314 1058 2191 1925 1920 2794 3565 1026 2678 -1148 2359 -1109 299 1213 1368 4233 2832 2878 2134 674 2692 1466 2676 1641 2916 3380 2854 -1153 -563 -320 -4494 542 -4192 661 -1642 -998 -1046 -529 818 529 774 1600 -1490 -285 -1597 -936 -3013 -1199 150 -160 -1721 -2299 -1000 -1431 -2662 785 -4066 -2056 -1709 -29 -1071 260 1335 2753 1716 -92 -2100 -743 -1936 -15 -1691 298 1399 3404 2298 3590 730 2427 394 -690 261 1384 -1622 -728 -1737 933 2507 -1518 1943 2300 459 1270 -2053 -3363 -2282 SS 20250922T124516.5Z 9396.531441 54 1 54.05 2 78.67 96.53 87.69 97.28 0.00 1 0.00 1 0 25 2.709e-01 1.012e-02 1.055e-01 2.234e-03 5.446753e-01 1.205741e-03 6.859462e-03 -6.000000e+00 1.576318e-01 228.19 -2.00 3.24 -2.00 320.87 0.00e+00 1.833173e-03 5.450977e-04 6.269269e-03 -6.000000e+00 7.228037e-03 293.02 -2.00 20.00 -2.00 320.15 0.00e+00 4.915 0.001 302.00 328.00 3 1.2002e+00 4.0949e-03 6.4201e-02 -6.0000e+00 3.9057e-01 -1.7273e-02 5.4142e-03 5.0938e-02 -6.0000e+00 4.2180e-01 -3.6945e-02 4.9140e-03 1.7202e-02 -6.0000e+00 2.5284e-01 2.0467e-03 2.4052e-03 5.4180e-03 -6.0000e+00 1.0932e-01 7.1106e-04 2.4491e-04 6.6697e-05 7.8478e-05 -6.0000e+00 7.5472e-03 1.0669e-02 0.0000e+00 12 9 8 11 4 0 -7.38 32.55 0.55 0.01067 0.01251 159 18 1 5 0 339.880 40.50 20.01 32.55 32.89 4.1 1032.97 -122402 197 -7307 -105318 -99018 -109927 -61228 -70455 -109343 -56911 -85434 -14628 -89017 -61575 -35073 -28990 -39719 -26454 -6209 -28840 -22586 -8800 -5660 -9861 -29391 -893 -6729 -912 -28442 -7400 -13686 -2896 -7913 723 -6614 -8694 -4938 -11682 -6639 -44 3592 2956 -151 -125 5584 -112 6464 647 -1553 2024 -625 3329 1043 3319 2082 3220 1411 1738 -574 2224 2379 1708 3071 4270 3677 1319 984 -1008 147 1865 2760 2520 646 2039 -1529 -1279 -2519 -3372 -4723 -2593 -2187 -1287 -2076 -1517 -739 272 986 1313 2529 1317 577 -226 -2199 -1504 -2132 -1382 -287 686 403 -554 -1048 -2493 -2230 -1271 -1140 -1818 -695 -43 160 1393 1773 1254 1128 1030 -463 -629 -432 34 594 895 239 502 941 761 -70 -242 -1599 -488 -168 -696 -265 -827 -788 -636 -344 203 -6 876 752 65 146 -267 -490 -1188 1 -29 -1105 -902 -1088 -400 -572 -1494 -507 -1066 -98 -1534 -1012 -549 -511 -881 -566 -118 -731 -559 -211 -137 -271 -1063 -26 -214 -27 -1066 -234 -528 -117 -388 36 -344 -453 -269 -796 -525 -4 356 319 -18 -15 653 -14 779 84 -213 282 -98 558 196 664 451 720 332 413 -137 509 555 434 864 1331 1228 443 321 -339 52 744 1227 1195 315 947 -685 -517 -944 -1243 -1884 -1173 -1151 -767 -1384 -1073 -554 217 828 1142 2204 1138 472 -173 -1624 -1091 -1673 -1222 -262 710 463 -658 -1199 -2665 -2172 -1316 -1144 -1966 -783 -52 205 1941 2713 2060 1878 1666 -718 -925 -625 50 932 1484 408 837 1518 1193 -105 -353 -2279 -687 -256 -1194 -496 -1671 -1530 -1294 -743 466 -15 2113 1844 157 337 -588 -1040 SS 20250922T125110.6Z 9396.535539 57 1 54.42 2 77.41 97.30 86.47 98.03 0.00 1 0.00 1 0 17 2.450e-01 1.154e-02 1.135e-01 4.246e-03 4.989322e-01 2.265816e-03 6.639633e-03 -6.000000e+00 1.425398e-01 228.19 -2.00 3.24 -2.00 320.63 0.00e+00 2.298616e-03 9.258706e-04 5.905246e-03 -6.000000e+00 6.536104e-03 293.02 -2.00 20.00 -2.00 319.87 0.00e+00 4.457 0.001 302.00 328.00 3 2.6550e+00 7.2492e-03 5.8009e-02 -6.0000e+00 3.5318e-01 2.3068e-02 9.2879e-03 4.6181e-02 -6.0000e+00 3.8142e-01 -5.9854e-02 8.0740e-03 1.5831e-02 -6.0000e+00 2.2864e-01 1.6306e-02 4.0557e-03 4.7174e-03 -6.0000e+00 9.8848e-02 2.6165e-04 1.2635e-04 1.2795e-04 5.0658e-05 -6.0000e+00 6.8249e-03 1.0897e-02 0.0000e+00 12 9 8 11 4 0 99.57 32.65 0.35 0.01090 0.01185 51 6 1 5 0 1066.880 40.50 20.00 32.65 33.16 4.1 1033.43 -121389 -40557 -113442 -70653 -97153 -64792 -87571 -44010 -109415 -4232 -56280 -15065 -66428 -2050 20794 -6423 9880 -17253 -14522 -9020 1777 -12084 -7789 32583 -905 -9858 -11353 -12135 -6945 -21698 3365 4855 1459 -11160 -10675 -10433 -3910 172 -2563 1630 8916 -4327 -4871 -2738 -1497 5230 393 844 -3359 649 4954 4070 3433 2055 5798 3982 2535 4890 -2646 5700 2094 1302 4340 7456 3466 116 451 -1372 199 1672 4280 2264 372 56 1936 -1818 -1338 -3840 -4054 -2448 -523 -2771 -1866 -2251 -1492 -1250 693 147 1291 1407 51 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