File name: Pandora85s1_NewOrleansLA-XULA_20250912_L2Fit_fout2c6d20250326p1-8.txt File generation date: 20250913T060045.2Z 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_20250912_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: 20250912 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 20250912T122640.5Z 9386.518524 232 1 55.03 2 81.52 90.31 34.48 268.24 0.00 1 0.00 1 0 17 5.842e-01 3.959e-02 3.690e-01 2.272e-02 6.546629e-01 1.367679e-02 8.991699e-03 -6.000000e+00 3.513091e-01 228.66 -2.00 3.24 -2.00 321.82 0.00e+00 -4.351725e-03 7.623955e-03 1.841993e-02 -6.000000e+00 2.057352e-02 293.66 -2.00 20.00 -2.00 321.20 0.00e+00 6.378 0.003 302.00 328.00 3 2.7841e+00 5.4873e-02 1.3714e-01 -6.0000e+00 8.7960e-01 6.2077e-01 7.5822e-02 1.7764e-01 -6.0000e+00 9.6231e-01 -1.1005e+00 5.5337e-02 6.0078e-02 -6.0000e+00 5.6794e-01 4.6281e-01 2.4287e-02 1.1055e-02 -6.0000e+00 2.4554e-01 3.2126e-05 2.3761e-04 7.4431e-04 6.3394e-05 -6.0000e+00 1.7522e-02 1.1846e-02 0.0000e+00 12 9 8 11 4 0 12.92 32.00 0.89 0.01185 0.01363 19 2 1 5 0 2896.180 40.00 20.01 32.00 31.51 4.1 1027.81 -12566 900000 900000 900000 900000 900000 -63546 248263 -90665 900000 -5006 -107225 25191 900000 45399 -9237 87848 900000 45725 900000 900000 900000 -6931 -76215 377 -58499 900000 35148 169937 50433 900000 38992 900000 900000 66455 900000 900000 -3452 158806 900000 68740 99856 152622 290238 217931 111680 50009 49513 3124 900000 10715 56930 37929 24056 99045 3594 39184 5414 25770 45168 11004 78707 1885 40612 37547 31319 16992 47699 -3544 12139 17725 56094 -1536 9085 40280 -14609 17668 30788 -25481 426 -7528 -5871 -6028 3727 1113 -2834 106 -6387 2705 -6576 -540 -314 -5583 7545 301 -6156 10083 -4071 -3814 -3688 -4585 -4970 -3007 -11185 -11038 2959 5587 209 710 5930 107 2263 1630 871 397 -1811 -3614 2828 -2419 4325 2868 -1033 3541 1420 2620 -38 2806 506 -2222 1000 -3337 -2633 -622 -391 1757 -1277 2235 1674 1544 -209 -801 -1053 -2443 -393 900000 900000 900000 900000 900000 -2454 5480 -5336 900000 -129 -7889 556 900000 1086 -463 1939 900000 1468 900000 900000 900000 -348 -8105 20 -5634 900000 1199 3751 1316 900000 1408 900000 900000 2000 900000 900000 -235 3505 900000 3586 4007 3675 6406 4810 3809 3111 3080 313 900000 1118 4112 3577 2800 5763 562 4403 847 3154 4350 1479 5685 325 5297 5349 4650 2830 5934 -789 2894 4460 10152 -495 2506 7468 -4192 3354 5029 -7874 118 -2658 -2345 -2687 1612 528 -1501 58 -3835 1499 -3905 -284 -154 -2760 3297 155 -3886 6276 -3369 -3511 -3492 -4209 -4223 -2283 -8986 -9453 2364 4599 195 719 6374 137 3072 2288 1213 532 -2370 -4779 3645 -3491 6176 4222 -1545 4908 1955 3434 -49 3450 644 -3207 1585 -6135 -5212 -1278 -849 3998 -3195 5590 4296 4011 -537 -1961 -2440 -5479 SS 20250912T123953.5Z 9386.527703 237 1 53.83 2 78.66 91.97 37.26 269.95 0.00 1 0.00 1 0 17 3.929e-01 1.362e-02 1.589e-01 4.323e-03 5.604000e-01 2.346374e-03 7.703188e-03 -6.000000e+00 2.289861e-01 228.66 -2.00 3.24 -2.00 321.11 0.00e+00 4.276692e-03 1.126880e-03 8.185515e-03 -6.000000e+00 1.051073e-02 293.66 -2.00 20.00 -2.00 320.41 0.00e+00 4.911 0.001 302.00 328.00 3 2.1515e+00 8.1099e-03 6.9280e-02 -6.0000e+00 5.6788e-01 2.5154e-02 1.0932e-02 6.2095e-02 -6.0000e+00 6.1303e-01 -1.4147e-01 9.8610e-03 2.1514e-02 -6.0000e+00 3.6748e-01 5.0111e-02 4.7721e-03 5.0496e-03 -6.0000e+00 1.5881e-01 2.7143e-04 1.5780e-04 1.2952e-04 7.3196e-05 -6.0000e+00 1.0947e-02 1.1429e-02 0.0000e+00 12 9 8 11 4 0 21.73 32.17 0.66 0.01143 0.01261 71 8 1 5 0 758.030 40.00 20.01 32.17 32.48 4.1 1031.31 -176230 -12310 -130510 -134165 -110681 -107380 -130844 -91658 -119665 -113973 -141052 -147019 -75775 50210 -62671 -23977 -7046 -65645 -4791 -1194 -11113 2117 -32828 44847 -30952 25751 -11219 -22445 -34834 -12792 -11049 -1765 -3102 -2469 -5480 -7190 -3829 10354 -5981 -8444 3653 14196 -4220 534 2623 1780 4911 4123 6313 6357 3849 4264 655 5970 9517 4496 3801 -2587 8049 2390 5450 4367 8640 7698 5389 1934 954 3126 2764 3165 2294 1819 2070 2814 987 -2384 -4100 -4479 -3369 -5039 -1237 -1921 -2574 -3131 -771 -61 -1034 2542 2109 1934 871 765 -2272 -868 -1260 -2578 249 447 812 -1943 -1880 -2933 -1903 -2116 -1643 -2543 -2356 484 15 1309 1946 1836 1595 757 628 -393 -243 -670 816 769 463 1055 980 996 52 214 -1535 647 -73 -619 -733 -437 -626 -719 217 -62 -41 1023 312 -146 232 -260 -779 -3242 -52 -1951 -2057 -1230 -1111 -1805 -949 -1835 -1791 -3028 -3663 -1133 269 -1297 -404 -113 -2088 -90 -23 -243 41 -919 619 -973 484 -314 -688 -1175 -363 -356 -67 -137 -119 -266 -346 -192 524 -431 -751 328 1239 -468 59 286 200 547 473 732 775 526 645 112 1055 1729 893 784 -573 1571 487 1103 968 2065 2087 1595 583 282 913 866 1126 924 783 897 1165 387 -872 -1400 -1501 -1197 -2118 -586 -1049 -1569 -2048 -526 -44 -805 1985 1678 1510 646 528 -1530 -572 -899 -2122 230 472 948 -2391 -2216 -3218 -1885 -2049 -1687 -2822 -2750 587 20 1874 2783 2814 2485 1155 908 -544 -331 -1045 1210 1211 745 1657 1495 1473 82 324 -2278 940 -116 -1011 -1318 -841 -1267 -1532 488 -148 -102 2578 804 -371 558 -597 -1729 SS 20250912T124551.0Z 9386.531841 240 1 54.05 2 77.37 92.73 38.51 270.68 0.00 1 0.00 1 0 17 2.403e-01 1.019e-02 1.389e-01 2.628e-03 5.200291e-01 1.415909e-03 6.573035e-03 -6.000000e+00 1.400769e-01 228.66 -2.00 3.24 -2.00 320.73 0.00e+00 1.421855e-03 6.095133e-04 5.654366e-03 -6.000000e+00 6.429594e-03 293.66 -2.00 20.00 -2.00 319.98 0.00e+00 4.446 0.001 302.00 328.00 3 1.9254e+00 4.6861e-03 5.8579e-02 -6.0000e+00 3.4739e-01 -4.7420e-02 6.0981e-03 4.6789e-02 -6.0000e+00 3.7500e-01 -3.3296e-02 5.4179e-03 1.5520e-02 -6.0000e+00 2.2479e-01 3.4330e-03 2.6903e-03 5.5374e-03 -6.0000e+00 9.7152e-02 5.5717e-04 3.7495e-04 7.8740e-05 6.2082e-05 -6.0000e+00 6.6964e-03 1.1198e-02 0.0000e+00 12 9 8 11 4 0 20.61 32.27 0.59 0.01120 0.01402 111 12 1 5 0 486.890 40.25 20.01 32.27 32.67 4.1 1031.86 -105299 -32209 62014 -17018 -76263 -110807 -81400 45576 -72545 -97003 -69288 -72185 -18943 -71781 -33048 -8104 -6659 -16210 -34378 -24547 -16709 7573 -10141 6119 -8111 -1167 4353 7459 -17789 -8464 -10280 -9122 3812 -1411 -19510 -9107 -3406 765 4312 4569 -407 3666 -665 -4815 -36 1760 2329 3567 -3115 298 130 1705 4932 17 3712 2163 3410 805 -253 112 2145 1211 2320 4052 3528 1764 1802 -1034 870 2470 2599 1170 627 6 -778 -1253 -567 -4160 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