File name: Pandora85s1_NewOrleansLA-XULA_20250823_L2Fit_fout2c6d20250326p1-8.txt File generation date: 20250824T060625.2Z 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_20250823_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: 20250823 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 20250823T121623.8Z 9366.511387 52 1 54.24 2 81.55 81.84 85.37 80.05 0.00 1 0.00 1 0 17 5.342e-01 2.748e-02 3.824e-01 1.388e-02 6.971525e-01 8.153972e-03 9.052063e-03 -6.000000e+00 3.164888e-01 229.32 -2.00 3.24 -2.00 321.90 0.00e+00 1.278989e-02 4.891941e-03 1.094470e-02 -6.000000e+00 1.682075e-02 294.38 -2.00 20.00 -2.00 321.33 0.00e+00 6.396 0.003 302.00 328.00 3 1.9792e+00 3.3677e-02 8.9335e-02 -6.0000e+00 7.8535e-01 6.4614e-01 4.5053e-02 7.2674e-02 -6.0000e+00 8.5047e-01 -9.8531e-01 3.5426e-02 3.1230e-02 -6.0000e+00 5.0732e-01 4.0560e-01 1.6387e-02 6.6101e-03 -6.0000e+00 2.2125e-01 6.0818e-05 -1.5096e-04 4.2575e-04 2.5094e-04 -6.0000e+00 1.5607e-02 1.0260e-02 0.0000e+00 12 9 8 11 4 0 42.28 33.24 0.79 0.01026 0.00913 30 3 1 5 0 1807.760 41.00 20.00 33.24 32.25 4.1 1030.91 900000 900000 -104564 -59987 -103889 900000 -109167 -182725 -95396 103623 900000 -91581 -1616 -50464 900000 54362 36197 100863 48052 900000 75744 98742 66361 -61526 73937 -45636 900000 900000 -846 900000 49315 54931 900000 144552 95363 122620 812 110627 72815 32922 35378 62450 72629 85365 199685 201193 128181 17193 20636 12769 2130 48810 51383 22865 37479 66112 35862 34338 33094 52064 38958 10286 32797 -13252 41820 33775 16888 13311 8881 -1649 9652 15739 4942 9963 7476 -4813 887 -23057 -8120 2234 -10072 -3255 -4110 7108 -6357 2694 1345 5677 3113 32 -11494 5870 -1816 -6428 -6333 2595 -4910 403 -4018 -2625 269 -523 -2886 2266 -4104 -686 -1273 -1499 -2585 754 1432 2837 -174 -1479 -2345 -1224 970 -2636 36 1776 1662 2431 658 2927 1671 1608 488 -162 317 122 -1729 601 497 456 12 138 74 556 1034 -722 444 -1918 -1294 900000 900000 -4119 -1418 -3274 900000 -3071 -10694 -2577 1399 900000 -2474 -22 -1425 900000 801 711 1362 944 900000 1116 1334 978 -3248 999 -2017 900000 900000 -22 900000 969 1214 900000 1952 1639 1656 35 1766 1967 1536 1781 2530 2764 2935 2697 2717 2990 1245 1495 1050 212 3356 3722 2358 3497 4708 3478 3330 3129 4359 3788 1445 4164 -3025 5930 5154 2988 2481 1847 -432 2516 4060 1415 2570 1807 -1177 188 -6165 -2051 603 -3645 -1270 -1804 2976 -3237 1339 714 2990 1703 17 -6706 2688 -858 -3212 -3481 1518 -3634 330 -3864 -2577 247 -443 -2261 1622 -3314 -573 -1133 -1442 -2754 874 1858 3958 -257 -2190 -3357 -1657 1278 -3748 53 2710 2570 3628 965 4067 2261 2106 627 -212 458 201 -3251 1202 1056 1026 30 356 198 1503 2809 -1943 1116 -4640 -2957 SS 20250823T122952.0Z 9366.520741 57 1 54.20 2 78.66 83.46 82.59 81.67 0.00 1 0.00 1 0 25 2.775e-01 1.048e-02 1.701e-01 2.860e-03 5.756202e-01 1.556732e-03 7.210248e-03 -6.000000e+00 1.621747e-01 229.32 -2.00 3.24 -2.00 321.02 0.00e+00 1.040039e-03 7.409209e-04 6.891160e-03 -6.000000e+00 7.448404e-03 294.38 -2.00 20.00 -2.00 320.30 0.00e+00 4.909 0.001 302.00 328.00 3 1.5124e+00 5.4368e-03 6.7353e-02 -6.0000e+00 4.0272e-01 -1.6119e-02 7.3223e-03 5.7323e-02 -6.0000e+00 4.3445e-01 -4.9722e-02 6.7433e-03 1.7749e-02 -6.0000e+00 2.6041e-01 6.1119e-03 3.2726e-03 7.1941e-03 -6.0000e+00 1.1249e-01 5.0588e-04 4.0910e-04 8.4870e-05 6.5434e-05 -6.0000e+00 7.7341e-03 1.0430e-02 0.0000e+00 12 9 8 11 4 0 47.50 33.33 0.53 0.01043 0.01350 119 13 1 5 0 455.380 41.25 20.01 33.33 33.49 4.0 1035.77 20916 -93332 -35841 -72562 -71096 -135058 -116415 -80973 -116902 -41661 11018 -84483 -83372 9042 -62210 1338 -42682 -29952 -25324 -16334 -27573 -19068 -31932 -34816 -27131 -35973 -20468 -18823 -26633 7666 -22173 -8180 12506 -6141 -7120 -1976 -9243 -12517 -4860 -3846 1841 3076 -219 4251 175 -106 568 -3571 -2266 -988 6113 1112 2409 1221 4250 5584 2427 2257 407 821 4092 2782 3606 5081 4721 457 798 -286 1869 86 2766 1685 1609 2933 264 -2039 -4361 -4144 -5020 -550 -1691 -1663 -2732 -1995 -1367 360 504 2007 3037 1415 -476 390 -1090 -2252 -1017 -1619 -724 460 804 -767 -1528 -2769 -1447 -1235 -1342 -1981 -571 -825 460 1642 2188 1546 1528 976 -443 -411 -411 189 558 527 -24 577 660 860 155 -670 -1673 -403 -34 -444 -545 -793 -439 -605 -163 45 -145 816 633 176 94 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-2.00 20.00 -2.00 319.98 0.00e+00 4.449 0.001 302.00 328.00 3 1.4051e+00 3.3045e-03 5.8182e-02 -6.0000e+00 2.9793e-01 -2.7998e-02 4.3044e-03 4.5802e-02 -6.0000e+00 3.2138e-01 -3.3429e-02 3.8171e-03 1.5456e-02 -6.0000e+00 1.9264e-01 2.3431e-03 1.8931e-03 5.3040e-03 -6.0000e+00 8.3226e-02 9.1106e-04 4.1866e-04 5.5577e-05 6.7134e-05 -6.0000e+00 5.7208e-03 9.7302e-03 0.0000e+00 12 9 8 11 4 0 33.52 33.41 0.45 0.00973 0.01288 168 19 1 5 0 321.760 41.25 20.01 33.41 33.88 4.0 1037.21 -77360 -26660 -58855 -91386 -61736 -83336 -10256 -83846 -73414 -67828 -10562 -41799 -42023 -21357 -28065 -42177 -19009 -19213 -27546 -18609 1523 2488 -12218 -15962 -22464 -95 -8711 -12403 -18884 -15084 -3073 -10374 362 1429 -12934 -4920 -10262 -5288 -1674 -575 -483 3246 1489 1903 1093 -96 -467 -62 893 114 873 3204 181 2576 2750 2691 1837 1203 -89 -635 1009 3867 4527 2818 2154 850 1734 -677 875 2367 1886 2351 867 1471 504 -1185 -3264 -4107 -3927 -2399 -2678 -1594 -2200 -1669 -654 157 1343 1434 1740 1395 787 -168 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