File name: Pandora85s1_NewOrleansLA-XULA_20250917_L2Fit_fout2c6d20250326p1-8.txt File generation date: 20250918T060201.5Z 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_20250917_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: 20250917 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 20250917T122910.2Z 9391.520257 180 1 53.87 2 81.55 92.53 31.08 95.36 0.00 1 0.00 1 0 25 3.760e-01 2.463e-02 3.136e-01 1.282e-02 6.973536e-01 7.429905e-03 8.306119e-03 -6.000000e+00 2.215842e-01 228.46 -2.00 3.24 -2.00 321.86 0.00e+00 -2.156790e-04 4.177723e-03 1.194723e-02 -6.000000e+00 1.077540e-02 293.40 -2.00 20.00 -2.00 321.28 0.00e+00 6.399 0.003 302.00 328.00 3 2.0141e+00 2.9623e-02 1.0245e-01 -6.0000e+00 5.5269e-01 4.8859e-01 3.9770e-02 1.0448e-01 -6.0000e+00 5.9900e-01 -7.9667e-01 3.2434e-02 2.8183e-02 -6.0000e+00 3.5603e-01 3.2154e-01 1.5197e-02 1.2366e-02 -6.0000e+00 1.5299e-01 6.3799e-05 -5.8338e-04 3.9488e-04 7.7752e-05 -6.0000e+00 1.0590e-02 1.1464e-02 0.0000e+00 12 9 8 11 4 0 49.77 32.07 0.61 0.01146 0.00708 34 4 1 5 0 1584.250 40.00 20.00 32.07 31.73 4.1 1028.62 -129672 -98596 900000 -14351 -183511 -35447 -64617 -125715 900000 900000 -136609 -33280 -53627 -81964 900000 889 23892 -42229 900000 -38526 -67677 -35040 -5390 85795 900000 -6695 -27840 -82978 -39682 57244 55112 -2216 10793 45994 80572 -52372 -39198 -5763 10044 52074 17065 21695 30956 4757 65884 9753 27438 16461 48454 47219 10296 48012 17433 25502 53975 31333 10521 38631 4305 27870 6758 20853 17721 7191 1255 6668 12581 5700 2965 14513 9707 21307 1853 11994 4898 -7575 -4309 -1877 -8599 665 5952 10625 4430 -1384 3530 4129 -4693 -1111 6418 -5538 -4760 2750 -1005 -4289 -9163 -2233 -4564 -2770 -4281 -336 690 -5327 -4710 -7608 -356 -2417 -4371 209 -679 188 3018 -349 2744 2115 2019 -1794 423 -2609 22 982 1015 1573 1236 3015 2850 174 -1227 -1874 2040 349 1120 -985 1258 -1209 -592 246 751 174 -464 483 -591 -1056 -309 -3104 -1950 900000 -179 -7258 -443 -807 -3140 900000 900000 -4498 -416 -974 -2420 900000 16 380 -1391 900000 -1312 -3074 -1114 -129 1072 900000 -190 -980 -4805 -1397 780 876 -73 355 1149 1372 -3211 -2225 -268 479 1951 1027 1330 1793 362 2693 698 1651 1121 2476 2573 888 3162 1702 2490 4229 3522 1498 4149 629 3098 928 2657 2612 1329 265 1324 2310 1146 659 3281 2582 5349 567 3161 1272 -1996 -1006 -422 -2245 186 1866 3676 1826 -648 1680 2094 -2743 -649 3519 -3348 -2687 1346 -489 -2180 -5367 -1411 -3443 -2380 -4186 -327 639 -4824 -3836 -6148 -284 -2108 -4105 202 -722 222 3905 -510 4010 3072 2816 -2485 568 -3745 33 1521 1592 2390 1819 4233 3858 234 -1624 -2521 2920 579 2060 -2016 2675 -2792 -1458 640 2017 480 -1301 1308 -1529 -2583 -715 SS 20250917T124231.4Z 9391.529530 185 1 54.16 2 78.67 94.23 28.29 97.61 0.00 1 0.00 1 0 25 3.211e-01 1.003e-02 1.163e-01 2.694e-03 5.714013e-01 1.468157e-03 7.347907e-03 -6.000000e+00 1.869998e-01 228.46 -2.00 3.24 -2.00 321.01 0.00e+00 2.449771e-03 6.973786e-04 7.218674e-03 -6.000000e+00 8.580294e-03 293.40 -2.00 20.00 -2.00 320.31 0.00e+00 4.913 0.001 302.00 328.00 3 1.4509e+00 5.1041e-03 6.7513e-02 -6.0000e+00 4.6357e-01 -1.4935e-02 6.8530e-03 5.7340e-02 -6.0000e+00 5.0051e-01 -7.1359e-02 6.3191e-03 1.8893e-02 -6.0000e+00 3.0003e-01 1.9555e-02 3.0693e-03 5.9716e-03 -6.0000e+00 1.2969e-01 5.4130e-04 4.1066e-04 7.9857e-05 8.5616e-05 -6.0000e+00 8.9457e-03 1.1081e-02 0.0000e+00 12 9 8 11 4 0 31.25 32.23 0.57 0.01108 0.01417 132 15 1 5 0 410.250 40.00 20.01 32.23 33.10 4.1 1033.84 -109254 -95583 -117120 -14783 -110250 -123376 -128204 -116069 -109699 -82024 -84085 -71991 -53912 -49401 -25265 -31064 -25851 -11522 -27894 12557 -38979 -37199 -39663 -17957 -2710 -13656 -22445 -15847 -32888 -9447 -12813 -14250 -9786 -9121 -7027 -803 -12461 -6752 720 -1009 6521 1357 2550 2315 4433 566 8387 400 3089 2261 1323 4412 5843 2212 -232 1287 4893 2264 1251 2089 -1100 4924 2258 6434 2605 2131 52 -1274 -136 2092 985 809 905 1426 1265 -2792 -2425 -4936 -2095 -2203 -2686 -1485 -1238 -1476 -598 -448 1320 1355 1766 1653 94 413 -1683 -1374 -1433 -829 -1427 898 987 -864 -1218 -1930 -2574 -1267 -1648 -1573 -1048 -330 912 1267 1806 1605 1238 771 -495 -581 -305 20 496 847 349 917 827 484 -366 -352 -1442 -484 -164 -350 -738 -846 -460 -500 -269 -6 5 831 717 94 315 -397 -403 -783 -708 -1175 -53 -948 -1179 -1378 -1248 -1258 -784 -864 -722 -554 -614 -308 -482 -432 -184 -573 183 -987 -933 -1061 -420 -59 -387 -719 -466 -1115 -266 -431 -573 -435 -441 -327 -34 -652 -390 47 -81 558 133 261 246 468 64 888 47 366 285 185 668 956 409 -47 268 1019 489 268 437 -243 1110 589 1809 812 658 16 -402 -46 782 418 366 413 623 514 -1067 -848 -1734 -768 -942 -1351 -846 -781 -996 -427 -344 1054 1123 1479 1356 73 300 -1183 -957 -1079 -707 -1411 906 1102 -1006 -1363 -2002 -2695 -1278 -1778 -1650 -1152 -384 1133 1732 2719 2592 2035 1238 -763 -848 -438 30 777 1399 590 1509 1321 753 -550 -509 -2034 -678 -250 -599 -1394 -1720 -979 -1117 -587 -13 11 2024 1772 229 728 -878 -855 SS 20250917T124822.6Z 9391.533595 188 1 54.03 2 77.41 94.99 27.06 98.68 0.00 1 0.00 1 0 25 2.463e-01 1.006e-02 5.441e-02 1.748e-03 5.244853e-01 9.276743e-04 6.580318e-03 -6.000000e+00 1.434456e-01 228.45 -2.00 3.24 -2.00 320.73 0.00e+00 2.892721e-03 3.970216e-04 5.598401e-03 -6.000000e+00 6.581624e-03 293.40 -2.00 20.00 -2.00 319.98 0.00e+00 4.457 0.001 302.00 328.00 3 1.2931e+00 3.0639e-03 5.7996e-02 -6.0000e+00 3.5560e-01 -1.9663e-02 3.9749e-03 4.4913e-02 -6.0000e+00 3.8393e-01 -4.1767e-02 3.5350e-03 1.6474e-02 -6.0000e+00 2.3015e-01 4.3006e-03 1.7561e-03 4.1110e-03 -6.0000e+00 9.9491e-02 1.0134e-03 2.4208e-04 5.1802e-05 8.2760e-05 -6.0000e+00 6.8615e-03 1.0560e-02 0.0000e+00 12 9 8 11 4 0 32.48 32.35 0.44 0.01056 0.01238 189 21 1 5 0 285.840 40.25 20.01 32.35 33.58 4.1 1036.35 -113337 -51640 -85696 -95403 -104806 -96491 -65828 -48918 -93261 -53055 -66569 -38588 -48850 -20845 -2814 -14134 -12249 -16026 -9115 -11156 -20691 -15242 -11770 -8347 -10950 -12829 2881 -10367 -13665 -4874 -15353 -6711 -2188 -2906 -10422 -13852 -4847 -6949 -817 -484 -45 2072 1844 3812 3246 2443 3431 2008 -713 85 534 1053 1713 2393 2751 2921 1569 715 301 1102 558 3067 3947 3764 2312 797 694 -564 764 2036 1107 2226 1453 1660 -520 -1455 -2316 -4452 -4304 -2328 -2478 -1610 -1907 -1797 -456 193 1039 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