File name: Pandora85s1_NewOrleansLA-XULA_20250904_L2Fit_fout2c6d20250326p1-8.txt File generation date: 20250905T061217.3Z 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_20250904_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: 20250904 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 20250904T123522.1Z 9378.524562 133 1 54.06 2 78.76 88.39 143.09 269.37 0.00 1 0.00 1 0 17 4.589e-01 1.937e-02 2.843e-01 8.782e-03 5.500060e-01 4.813270e-03 7.411035e-03 -6.000000e+00 2.688435e-01 228.92 -2.00 3.24 -2.00 321.23 0.00e+00 -2.732568e-03 2.330873e-03 1.011041e-02 -6.000000e+00 1.248208e-02 293.95 -2.00 20.00 -2.00 320.52 0.00e+00 4.948 0.001 302.00 328.00 3 3.1769e+00 1.7187e-02 8.1604e-02 -6.0000e+00 6.6870e-01 2.7357e-02 2.3025e-02 8.7280e-02 -6.0000e+00 7.2234e-01 -1.9897e-01 1.9774e-02 2.0689e-02 -6.0000e+00 4.3126e-01 8.4535e-02 9.4464e-03 1.2808e-02 -6.0000e+00 1.8672e-01 9.8380e-05 1.2807e-03 2.7428e-04 4.5644e-05 -6.0000e+00 1.2898e-02 1.0869e-02 0.0000e+00 12 9 8 11 4 0 96.74 32.26 0.50 0.01087 0.02049 25 3 1 5 0 2162.150 40.25 20.01 32.26 33.02 4.0 1033.60 30902 900000 -144194 -70628 -156778 -184383 3001 -34482 900000 -183533 -106194 162013 -65288 -72538 -63558 93529 -6331 -30325 216333 170106 63064 -41777 -65322 18983 -29627 -36783 -20725 -8968 -38227 -23924 -12169 -4486 67829 -2665 -3777 -20217 11846 6086 -17135 26391 6719 11359 2710 16956 10338 30800 13334 -799 14641 -13897 13381 6779 8850 8853 18637 6567 1917 12996 7683 -2379 8832 7208 13128 4834 1828 4547 3965 -832 1461 5019 3603 4639 -3059 2089 10398 -607 -2119 -8860 2897 -3175 -1711 -1794 -169 -2003 -2801 732 1171 553 1786 3252 2207 -351 -2806 -1608 -5108 -2002 -2361 338 566 -4583 -2940 -1583 -2398 -4053 -1157 -3642 -952 -2386 1040 810 2022 1251 1437 1254 -229 791 -1825 485 2167 1311 114 953 2815 1420 200 -517 -2053 128 -333 -293 796 -287 190 -1420 -99 -249 160 996 529 -406 -478 157 -939 265 900000 -3142 -715 -3417 -5166 26 -295 900000 -7999 -2232 1387 -1169 -1694 -1632 801 -118 -779 1852 1456 736 -1398 -2898 399 -1107 -1575 -774 -286 -1547 -857 -436 -171 1425 -122 -170 -1054 489 313 -1360 1643 580 1109 302 1669 1089 2663 1381 -96 1554 -2058 1650 992 1387 1508 3079 1282 407 2492 1519 -509 1716 1530 2933 1308 538 1273 1083 -241 445 1689 1379 1867 -1341 837 3561 -209 -680 -2973 925 -1248 -772 -926 -95 -1224 -1849 502 846 417 1348 2364 1521 -231 -1794 -1011 -3590 -1551 -2106 335 618 -5371 -3242 -1587 -2221 -3758 -1117 -3853 -1033 -2804 1274 1096 2981 1983 2297 1949 -341 1107 -2591 697 3254 2104 189 1535 4323 2145 292 -736 -2857 176 -499 -490 1443 -563 389 -3107 -229 -613 404 2560 1257 -1046 -1174 364 -2121 SS 20250904T124122.4Z 9378.528731 136 1 54.70 2 77.46 89.13 144.32 270.11 0.00 1 0.00 1 0 25 2.701e-01 1.343e-02 1.827e-01 5.469e-03 5.186947e-01 2.928130e-03 6.674825e-03 -6.000000e+00 1.577412e-01 228.92 -2.00 3.24 -2.00 320.83 0.00e+00 1.557685e-03 1.284746e-03 6.333009e-03 -6.000000e+00 7.361747e-03 293.95 -2.00 20.00 -2.00 320.09 0.00e+00 4.473 0.001 302.00 328.00 3 2.9588e+00 9.7717e-03 6.0521e-02 -6.0000e+00 3.9120e-01 1.4896e-02 1.2871e-02 5.1501e-02 -6.0000e+00 4.2219e-01 -9.3943e-02 1.1346e-02 1.7101e-02 -6.0000e+00 2.5301e-01 2.8827e-02 5.5743e-03 5.2337e-03 -6.0000e+00 1.0941e-01 1.8951e-04 3.3240e-04 1.6429e-04 6.3025e-05 -6.0000e+00 7.6333e-03 1.0373e-02 0.0000e+00 12 9 8 11 4 0 96.50 32.38 0.35 0.01037 0.01287 37 4 1 5 0 1478.160 40.25 20.01 32.38 33.28 4.0 1034.37 30078 20411 -107775 -58254 900000 -99228 -120736 -91270 -128596 -76182 -44289 -61134 -65372 6977 27195 9146 -38186 -32814 8443 13901 4706 68770 -36414 -26073 10975 -30484 -15002 -26994 12821 -35701 -16919 3327 17593 -18820 34814 -10013 5907 2496 -3320 -7106 323 352 1720 11045 5846 -417 6647 7197 -1200 -734 6265 1830 6750 11994 3394 3659 3326 2238 -517 5142 -5841 3481 4467 2375 1381 -2281 -1821 961 238 2741 -1231 5018 2462 -1267 1832 -1040 3679 -559 -1248 -5009 -433 -3391 -3297 264 -979 -2443 2583 1661 1921 2451 566 64 -2523 -3281 -2714 -2576 -1648 762 -19 -1251 -1077 -1076 -2743 -685 -1414 -1806 -511 232 902 1534 2131 1720 1250 491 -331 -621 -840 320 1052 533 534 1000 1317 -125 199 14 -2273 -1193 -420 -332 -319 -929 -1388 -709 -133 498 127 1557 243 384 -57 -449 -675 160 109 -1829 -593 900000 -1347 -2166 -1372 -3179 -1219 -537 -948 -1268 81 316 151 -1129 -1002 184 303 116 900 -1412 -986 309 -1374 -596 -1178 361 -1679 -746 139 725 -1335 1411 -619 337 172 -294 -788 38 44 226 1361 767 -59 890 971 -181 -115 992 336 1285 2347 771 863 812 557 -130 1201 -1554 910 1291 781 486 -814 -623 321 85 1090 -572 2328 1184 -610 796 -420 1297 -199 -476 -2287 -220 -2020 -2169 178 -716 -1949 2075 1399 1637 2034 449 47 -1806 -2329 -2049 -2198 -1595 821 -23 -1554 -1278 -1178 -2793 -669 -1484 -2037 -599 287 1192 2208 3351 2627 1936 741 -522 -929 -1237 483 1669 903 925 1695 2162 -202 306 21 -3318 -1718 -650 -571 -600 -1710 -2681 -1425 -283 1121 296 3677 590 912 -130 -979 -1418 SS 20250904T124645.7Z 9378.532473 139 1 53.53 2 76.29 89.81 145.43 270.79 0.00 1 0.00 1 0 17 1.897e-01 1.125e-02 1.192e-01 3.880e-03 4.853348e-01 2.071687e-03 6.323158e-03 -6.000000e+00 1.107088e-01 228.92 -2.00 3.24 -2.00 320.57 0.00e+00 3.388055e-03 8.337922e-04 5.206362e-03 -6.000000e+00 5.082541e-03 293.95 -2.00 20.00 -2.00 319.79 0.00e+00 4.119 0.001 302.00 328.00 3 2.8228e+00 6.6149e-03 5.3137e-02 -6.0000e+00 2.7470e-01 -1.2185e-02 8.4242e-03 4.0520e-02 -6.0000e+00 2.9644e-01 -3.8624e-02 7.3039e-03 1.5451e-02 -6.0000e+00 1.7770e-01 3.7057e-03 3.6911e-03 3.6412e-03 -6.0000e+00 7.6794e-02 3.1236e-04 5.6466e-04 1.1744e-04 5.7729e-05 -6.0000e+00 5.2866e-03 1.0116e-02 0.0000e+00 12 9 8 11 4 0 94.29 32.48 0.57 0.01012 0.01436 49 5 1 5 0 1092.280 40.50 20.01 32.48 33.51 4.0 1035.27 -41872 -65398 -18352 -61610 -67611 -79033 -73332 17486 -82449 -44807 -61013 -2255 -12768 -26606 39790 -915 -42160 4237 37994 -14627 -20563 -6798 37275 -2799 -16235 -6107 14790 -1452 -20970 2594 1479 -15088 1902 -2952 -9098 -10628 -8353 -3531 -9048 4554 1134 2717 -439 1940 8352 1723 4722 439 -2008 1887 -2399 -491 6431 -438 2531 1403 3071 -471 2176 431 -1442 967 2113 1904 3802 2354 1742 -2218 825 658 3301 1953 2060 -139 237 -638 -3603 -3467 -2735 -3855 -2741 -1321 -2504 -2714 118 -615 1038 965 2504 686 905 455 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