File name: Pandora85s1_NewOrleansLA-XULA_20260116_L2Fit_fout2c6d20250326p1-8.txt File generation date: 20260117T061607.8Z 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_20260116_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: 20260116 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 20260116T134107.5Z 9512.570226 86 1 53.62 2 82.25 119.56 70.41 142.88 0.00 1 0.00 1 0 25 5.383e-01 1.736e-02 3.548e-01 8.443e-03 7.524962e-01 4.783056e-03 1.076748e-02 -6.000000e+00 3.095648e-01 224.37 -2.00 3.24 -2.00 321.93 0.00e+00 1.115438e-02 2.837655e-03 1.517523e-02 -6.000000e+00 1.414672e-02 284.84 -2.00 20.00 -2.00 321.44 0.00e+00 6.905 0.004 302.00 328.00 3 8.6839e-01 1.8828e-02 1.0768e-01 -6.0000e+00 7.6252e-01 4.6818e-01 2.7099e-02 9.9466e-02 -6.0000e+00 8.2605e-01 -6.5169e-01 2.6923e-02 4.3476e-02 -6.0000e+00 4.9462e-01 2.5723e-01 1.2275e-02 9.0867e-03 -6.0000e+00 2.1515e-01 1.0995e-04 -2.3693e-04 2.4298e-04 3.3715e-04 -6.0000e+00 1.5157e-02 -1.0578e-02 0.0000e+00 12 8 8 10 0 0 46.72 23.62 0.62 -0.01058 -0.01236 62 7 1 5 0 864.670 32.25 20.00 23.62 12.60 4.3 950.20 -145354 20345 -207398 900000 -102895 -181325 -187603 -74440 -138485 -100597 -218051 -137358 -158546 900000 -149671 -80677 77106 47342 11318 -34169 -80799 -6022 36086 140161 4131 -46346 -24542 144097 -7983 -48576 -29933 -24850 80696 11961 -44850 -12374 26659 24167 -18206 15029 49746 27355 16409 4902 31454 20224 11292 41170 42915 3089 3075 37456 15506 29651 18943 25560 15383 26486 13621 6939 10454 15889 2805 5661 10675 11874 6560 186 6086 3945 10688 2235 11002 6268 5054 -1301 -1140 -4652 -6727 -891 1723 -3448 1635 -1551 541 -466 2067 341 658 391 2239 -1368 -4452 -5100 -4517 -5200 -1547 524 517 -1059 -1306 -2919 -3678 -4857 -2650 -2095 -2450 -602 43 1316 2075 1807 1168 362 -1348 -349 -1783 -32 896 1774 299 1531 1863 1822 1037 3 -753 -1275 1117 -1333 -165 -484 -108 -90 104 -470 -547 806 656 658 166 -178 -1554 -1414 167 -4966 900000 -847 -2714 -2948 -613 -1451 -828 -5384 -1645 -2966 900000 -4480 -1509 635 390 119 -588 -2237 -77 297 1154 49 -936 -404 1186 -108 -1054 -650 -632 845 277 -1812 -343 519 543 -736 517 1377 1023 724 253 1271 938 651 1830 1978 226 248 2405 1366 2465 1871 2441 1659 2551 1446 765 1127 1752 402 909 1801 2013 1161 36 1187 893 2551 618 2807 1599 1198 -295 -236 -984 -1589 -236 533 -1311 668 -703 255 -238 1084 189 369 216 1150 -680 -2184 -2540 -2454 -3317 -1123 437 491 -1073 -1286 -2688 -3054 -3842 -2137 -1800 -2230 -579 45 1533 2729 2632 1788 556 -2034 -498 -2548 -46 1363 2821 490 2399 2793 2648 1463 4 -1017 -1738 1641 -2312 -320 -1034 -246 -218 267 -1185 -1431 2121 1748 1718 451 -457 -3815 SS 20260116T135921.2Z 9512.582884 91 1 53.97 2 78.86 122.17 68.19 146.30 0.00 1 0.00 1 0 25 2.956e-01 1.041e-02 6.240e-02 1.516e-03 5.856178e-01 8.008555e-04 7.531049e-03 -6.000000e+00 1.699339e-01 224.37 -2.00 3.24 -2.00 320.88 0.00e+00 3.275159e-03 3.605602e-04 6.683791e-03 -6.000000e+00 7.620212e-03 284.84 -2.00 20.00 -2.00 320.28 0.00e+00 4.995 0.001 302.00 328.00 3 4.3717e-01 2.6207e-03 6.4904e-02 -6.0000e+00 4.1863e-01 3.6803e-02 3.5135e-03 4.9969e-02 -6.0000e+00 4.5351e-01 -6.3560e-02 3.4705e-03 2.2129e-02 -6.0000e+00 2.7128e-01 1.2757e-02 1.6934e-03 4.7854e-03 -6.0000e+00 1.1766e-01 1.2962e-03 1.3156e-04 4.4031e-05 1.2175e-04 -6.0000e+00 8.2224e-03 -1.0919e-02 0.0000e+00 12 8 8 10 0 0 63.11 23.74 0.47 -0.01092 -0.00993 285 32 1 5 0 189.340 32.25 20.00 23.74 13.96 4.3 955.73 -134519 -89635 -113669 -67491 -109450 -112219 -88119 -89407 -89308 -59775 -79267 -76188 -45137 -48649 -26374 -18746 -19968 -17434 -21297 -7894 -11421 -20775 -16761 -12616 -22619 -10239 -18013 -12183 -23326 -20564 -19456 -12857 -4970 -1215 -11734 -15545 -13307 -6812 -5545 -925 -1051 440 508 1964 1865 3036 1744 559 424 787 1398 2458 3002 1804 3107 3104 2161 2334 979 441 652 3289 3638 5335 3542 1593 643 -149 -184 1843 2694 1729 1565 1036 8 -1972 -2606 -4352 -3995 -2804 -1832 -1461 -1540 -1870 -870 -289 451 1381 2012 1702 867 -74 -1411 -2199 -2447 -1962 -601 712 895 100 -616 -1430 -2369 -1936 -955 -1235 -912 -454 162 1302 1810 1870 1481 653 -393 -1051 -770 25 596 999 608 707 955 846 243 -363 -1509 -1279 -371 -490 -445 -687 -962 -868 -213 28 43 772 1001 491 8 -187 -507 -1193 -614 -1100 -417 -956 -965 -628 -721 -816 -450 -767 -778 -412 -588 -323 -259 -354 -335 -466 -161 -252 -507 -404 -315 -675 -288 -570 -360 -748 -666 -716 -526 -219 -57 -616 -820 -732 -406 -395 -77 -101 45 56 221 214 352 210 70 55 107 206 401 536 355 649 678 493 539 225 100 150 790 978 1595 1168 535 212 -50 -65 727 1192 828 763 491 4 -811 -983 -1617 -1568 -1258 -957 -875 -1033 -1347 -660 -213 349 1104 1625 1357 724 -58 -1057 -1635 -1947 -1604 -559 752 1056 123 -740 -1599 -2423 -1885 -969 -1348 -1043 -550 211 1844 2833 2898 2360 1027 -594 -1646 -1175 40 973 1578 987 1125 1600 1376 381 -551 -2234 -1872 -580 -791 -793 -1329 -1965 -1857 -482 63 100 1807 2375 1153 19 -432 -1123 SS 20260116T140515.2Z 9512.586982 94 1 54.01 2 77.79 123.05 67.51 147.45 0.00 1 0.00 1 0 25 2.190e-01 1.050e-02 3.732e-02 1.135e-03 5.417385e-01 6.003379e-04 6.957388e-03 -6.000000e+00 1.259432e-01 224.37 -2.00 3.24 -2.00 320.56 0.00e+00 3.748523e-03 2.401097e-04 5.290677e-03 -6.000000e+00 5.647494e-03 284.84 -2.00 20.00 -2.00 319.95 0.00e+00 4.588 0.001 302.00 328.00 3 4.2465e-01 1.8522e-03 5.7106e-02 -6.0000e+00 3.1026e-01 2.1993e-02 2.3975e-03 4.0072e-02 -6.0000e+00 3.3611e-01 -4.2477e-02 2.2824e-03 1.9377e-02 -6.0000e+00 2.0105e-01 5.2880e-03 1.1423e-03 4.8104e-03 -6.0000e+00 8.7199e-02 2.0157e-03 4.4017e-05 3.2942e-05 9.6994e-05 -6.0000e+00 6.0938e-03 -1.1022e-02 0.0000e+00 12 8 8 10 0 0 48.72 23.80 0.45 -0.01102 -0.01069 356 40 1 5 0 151.710 32.25 20.01 23.80 14.30 4.3 956.95 -57576 -67420 -63109 -63122 -78217 -78869 -81446 -81260 -65513 -70539 -64784 -47145 -54173 -31300 -20388 -19973 -14401 -15576 -8169 -16935 -12535 -5173 -12618 -16056 -15495 -13402 -7545 -16083 -13031 -17957 -11454 -8988 212 -2873 -5746 -7699 -11660 -6774 -4457 -304 388 402 1507 349 1565 3812 2275 2371 -798 -208 2848 2790 2905 3614 3081 2596 2399 494 -17 -975 596 2211 3044 4085 3483 694 21 -747 -262 1244 1855 2050 2079 815 -161 -1421 -3427 -4858 -3629 -2893 -1442 -1607 -1737 -2095 -1130 48 657 1376 1580 2004 579 24 -1472 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