File name: Pandora85s1_NewOrleansLA-XULA_20250905_L2Fit_fout2c6d20250326p1-8.txt File generation date: 20250906T060630.7Z 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_20250905_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: 20250905 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 20250905T122314.5Z 9379.516140 162 1 54.20 2 81.49 87.26 128.33 267.71 0.00 1 0.00 1 0 17 5.104e-01 2.501e-02 3.543e-01 1.175e-02 6.716158e-01 6.695536e-03 8.529832e-03 -6.000000e+00 2.981661e-01 228.89 -2.00 3.24 -2.00 321.81 0.00e+00 6.348469e-03 3.843243e-03 1.198873e-02 -6.000000e+00 1.395010e-02 293.91 -2.00 20.00 -2.00 321.21 0.00e+00 6.355 0.003 302.00 328.00 3 1.8796e+00 2.6921e-02 9.6910e-02 -6.0000e+00 7.3921e-01 5.0335e-01 3.5078e-02 8.9454e-02 -6.0000e+00 7.9766e-01 -8.0502e-01 2.7521e-02 2.5849e-02 -6.0000e+00 4.7810e-01 3.2955e-01 1.3174e-02 8.1637e-03 -6.0000e+00 2.0707e-01 7.6019e-05 -2.2371e-05 3.5724e-04 1.4545e-04 -6.0000e+00 1.4427e-02 1.1255e-02 0.0000e+00 12 9 8 11 4 0 2.40 32.52 0.64 0.01125 0.01109 38 4 1 5 0 1426.140 40.50 20.00 32.52 32.52 4.1 1031.70 -32468 -84808 -44536 7143 900000 -183106 -114137 -22077 -135857 -2775 22512 -16110 63531 -74861 -66675 232987 -95299 10430 15550 -81125 -26852 -51 900000 900000 -53591 72184 189756 -22822 10130 -6042 55136 124412 24405 -34479 17993 43568 48545 -19566 14692 22950 44482 128903 61145 26577 42434 261178 13837 90740 49583 28151 38281 30955 19147 11609 12011 26170 13363 19283 10017 -627 3718 13615 28734 19077 19201 35453 6139 6813 1891 12432 20724 9618 10439 13247 -5809 9838 9609 -7540 -6528 -4447 -406 4757 -4123 -5739 -1373 -4210 1361 646 2435 -306 1631 3756 -1449 -8548 -11510 -4776 -1263 -435 -1120 -2631 1893 -4830 -4688 -4655 -1168 -711 -4298 -265 -294 1063 718 2087 -1801 -120 784 -1517 -814 1402 -311 1181 2313 244 1851 3195 2055 1330 -973 1327 -799 -1023 1015 -197 75 -39 543 -147 -457 1173 1198 -1240 -147 -364 -1896 -372 -1861 -680 82 900000 -8386 -2851 -253 -4666 -32 258 -184 727 -2338 -2360 2667 -5852 239 356 -4982 -950 -1 900000 900000 -2510 977 2173 -760 232 -170 976 1424 787 -2153 637 1134 1263 -1140 719 1218 2130 2817 2737 1715 2341 2990 1037 3211 2735 2022 2709 2610 1973 1390 1513 3236 1912 2583 1422 -96 553 1980 4046 3342 3605 5601 1272 1427 446 3003 5149 2819 3036 3564 -1736 2253 2024 -1865 -1741 -1370 -142 1819 -1921 -2904 -709 -2395 773 383 1436 -182 892 1879 -730 -4658 -7089 -3183 -948 -376 -1091 -2687 1775 -4451 -3908 -3752 -966 -626 -4154 -264 -321 1281 975 3039 -2803 -181 1120 -2117 -1119 1961 -470 1857 3646 383 2762 4566 2856 1801 -1306 1759 -1198 -1747 1893 -404 162 -89 1326 -384 -1244 3202 3308 -3421 -380 -887 -4475 SS 20250905T123619.4Z 9379.525225 167 1 54.10 2 78.66 88.88 131.02 269.29 0.00 1 0.00 1 0 25 2.904e-01 1.019e-02 1.417e-01 2.818e-03 5.578044e-01 1.527477e-03 7.005041e-03 -6.000000e+00 1.694148e-01 228.89 -2.00 3.24 -2.00 320.96 0.00e+00 1.909130e-03 7.096402e-04 6.500458e-03 -6.000000e+00 7.777874e-03 293.91 -2.00 20.00 -2.00 320.23 0.00e+00 4.909 0.001 302.00 328.00 3 1.5144e+00 5.2754e-03 6.5321e-02 -6.0000e+00 4.2034e-01 -7.6842e-03 7.0257e-03 5.3237e-02 -6.0000e+00 4.5365e-01 -6.4511e-02 6.3749e-03 1.7817e-02 -6.0000e+00 2.7193e-01 1.4140e-02 3.1062e-03 5.6851e-03 -6.0000e+00 1.1750e-01 5.1534e-04 2.7933e-04 8.4218e-05 7.4596e-05 -6.0000e+00 8.0921e-03 1.0967e-02 0.0000e+00 12 9 8 11 4 0 28.55 32.68 0.56 0.01097 0.01307 119 13 1 5 0 454.530 40.50 20.00 32.68 33.68 4.1 1036.37 -66016 -129872 -102540 -100624 -8744 -80689 -86981 -121243 -91161 23719 -117817 4454 -87199 -67370 -50125 -19719 -15277 -12897 -128 36685 -16080 -8125 -8881 -13501 -14313 -10824 -26411 -13075 -13668 13724 -18766 -1370 -19742 -11187 -12982 -13497 -21791 -10877 1575 -2765 3229 2577 -789 2405 2204 5170 3690 -316 2555 1138 140 5627 4951 3767 1548 4434 4864 -467 829 3267 -210 4106 4460 4281 2199 1470 1139 -2094 -1023 1465 2453 2909 2167 1576 78 158 -3515 -4437 -4169 -1446 -2253 -1478 -2620 -2384 -869 549 816 472 1960 1084 354 -540 -2480 -1660 -1299 -1070 58 891 860 -546 -942 -2368 -2086 -1190 -1116 -2398 -599 362 261 1582 1480 1649 1271 447 -266 -477 -346 465 396 508 122 720 619 440 360 0 -1278 -742 -77 -973 -21 -821 -728 -833 -55 -90 234 923 554 56 62 50 -459 -346 -1525 -999 -955 -31 -564 -695 -1545 -979 89 -1913 23 -1394 -1111 -864 -300 -252 -229 -2 458 -353 -166 -191 -331 -383 -327 -965 -410 -417 332 -722 -52 -1036 -590 -685 -701 -1335 -699 109 -242 305 266 -89 272 253 588 434 -40 321 153 21 881 856 717 322 937 1060 -108 187 706 -48 974 1184 1278 714 473 357 -686 -355 566 1055 1325 1005 709 33 60 -1281 -1593 -1598 -626 -1150 -857 -1705 -1651 -634 425 666 402 1667 911 281 -403 -1786 -1175 -986 -922 57 902 965 -637 -1056 -2481 -2187 -1208 -1206 -2555 -660 421 328 2162 2237 2661 2087 719 -408 -693 -495 683 617 838 207 1186 990 684 536 -1 -1795 -1038 -117 -1663 -40 -1651 -1535 -1847 -119 -207 554 2221 1359 135 144 110 -1057 SS 20250905T124218.0Z 9379.529376 170 1 53.89 2 77.36 89.62 132.24 270.03 0.00 1 0.00 1 0 25 2.027e-01 9.797e-03 6.332e-02 1.842e-03 5.086361e-01 9.822729e-04 6.317529e-03 -6.000000e+00 1.182371e-01 228.89 -2.00 3.24 -2.00 320.66 0.00e+00 1.958004e-03 4.089761e-04 5.186376e-03 -6.000000e+00 5.428145e-03 293.91 -2.00 20.00 -2.00 319.90 0.00e+00 4.443 0.001 302.00 328.00 3 1.4090e+00 3.2126e-03 5.6827e-02 -6.0000e+00 2.9336e-01 -3.0848e-02 4.1377e-03 4.3075e-02 -6.0000e+00 3.1660e-01 -2.8415e-02 3.6171e-03 1.5156e-02 -6.0000e+00 1.8978e-01 5.1343e-04 1.8039e-03 4.5198e-03 -6.0000e+00 8.2012e-02 9.3542e-04 2.0718e-04 5.5322e-05 6.9285e-05 -6.0000e+00 5.6472e-03 1.0551e-02 0.0000e+00 12 9 8 11 4 0 13.59 32.78 0.47 0.01055 0.01211 165 18 1 5 0 326.540 40.50 20.01 32.78 34.20 4.1 1038.58 -62652 -12907 -92204 -74900 -24639 -81797 -97757 -35797 -69269 -78047 -23851 -31378 -39510 -23200 -28370 3709 -22769 -20653 -5135 -17054 -8292 -17764 -13074 -5653 -14303 -1942 -2838 -12898 -24254 -15530 -9280 -14248 -2810 -7990 -13203 -8811 -7524 -9712 -5162 82 3478 193 353 581 1482 5519 2721 -130 249 2142 452 369 2957 4553 2871 2626 3525 1125 732 747 1133 1938 4000 4379 3457 706 1333 -1292 584 2029 1086 1848 832 851 1078 -801 -3826 -3871 -3289 -2224 -1949 -1702 -1744 -2299 -875 -116 874 1569 1572 1000 704 254 -1905 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