File name: Pandora85s1_NewOrleansLA-XULA_20250822_L2Fit_fout2c6d20250326p1-8.txt File generation date: 20250823T060915.9Z 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_20250822_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: 20250822 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 20250822T121430.7Z 9365.510078 61 1 55.29 2 81.85 81.28 73.47 80.11 0.00 1 0.00 1 0 17 6.694e-01 4.871e-02 3.767e-01 2.495e-02 6.983801e-01 1.478788e-02 9.382321e-03 -6.000000e+00 4.030179e-01 229.35 -2.00 3.24 -2.00 321.82 0.00e+00 1.168602e-03 7.749567e-03 1.751943e-02 -6.000000e+00 1.984637e-02 294.42 -2.00 20.00 -2.00 321.19 0.00e+00 6.597 0.003 302.00 328.00 3 2.4882e+00 5.6631e-02 1.2889e-01 -6.0000e+00 1.0061e+00 9.0125e-01 6.9528e-02 1.4126e-01 -6.0000e+00 1.0916e+00 -1.2550e+00 4.3574e-02 2.7425e-02 -6.0000e+00 6.4483e-01 4.8317e-01 2.2350e-02 2.1079e-02 -6.0000e+00 2.7559e-01 2.9540e-05 -1.6883e-03 7.7566e-04 9.6557e-05 -6.0000e+00 1.9597e-02 1.0150e-02 0.0000e+00 12 9 8 11 4 0 -3.08 33.26 1.12 0.01015 -0.00254 18 2 1 5 0 3071.290 41.00 20.00 33.26 32.34 4.1 1031.15 290871 -59015 900000 289877 -27146 -106858 900000 900000 69872 900000 -13147 -22977 -46385 296641 -9283 -75524 222170 900000 60438 59453 93583 -2456 -12598 -44505 900000 900000 28185 63693 172530 900000 101239 900000 900000 -12592 46115 -23067 335 -15111 900000 162949 37760 21946 105495 -33495 97494 81753 76353 199319 73596 58824 37253 9308 59044 50985 1469 31007 60110 52367 69072 42890 -16345 73568 66093 31559 41465 8190 35763 13007 -8572 69360 3593 8201 51156 13013 34588 730 -20689 -1521 -508 -7973 2304 -5928 2337 16251 -7458 -16080 9564 3333 517 1363 -2078 -8258 -10284 -12726 -10251 -3346 -13578 -545 710 -3613 -2821 1155 -8122 -3904 10537 -9399 -7894 -1832 23023 726 2764 2756 3364 2928 1630 -2913 -510 -2669 5440 -3432 808 6062 5394 630 -2558 -472 -930 329 -564 -1660 2551 -3132 1355 -3107 329 0 -909 3041 2676 -766 -1612 -1596 -48 7063 -4299 900000 7039 -1099 -8433 900000 900000 1697 900000 -426 -837 -2440 7203 -470 -8405 5395 900000 2135 2100 2272 -146 -807 -4028 900000 900000 1244 1828 4189 900000 2458 900000 900000 -1056 2036 -1884 22 -1301 900000 3957 2917 2083 4425 -5619 4304 4151 4045 4840 4062 3896 3289 1192 4953 4952 246 3970 5838 5433 5794 4450 -3031 5846 6274 4737 6041 1645 5289 2440 -2119 9768 991 2509 10186 3602 7055 186 -5928 -351 -125 -2459 755 -2433 987 6393 -3948 -9918 4807 1845 298 761 -1130 -4451 -5394 -6860 -5874 -2064 -10814 -442 640 -3536 -2644 960 -6686 -2948 7266 -8490 -7418 -1739 18617 822 3457 3774 4746 4109 2228 -3982 -673 -3727 7424 -5416 1243 8641 7479 890 -3597 -629 -1209 424 -807 -2746 4528 -6426 2829 -7189 788 1 -2448 8034 7187 -2084 -4181 -3895 -110 SS 20250822T122928.5Z 9365.520469 66 1 53.79 2 78.64 83.08 70.38 81.80 0.00 1 0.00 1 0 25 3.340e-01 1.077e-02 1.804e-01 3.420e-03 5.696756e-01 1.873712e-03 7.459858e-03 -6.000000e+00 1.952032e-01 229.35 -2.00 3.24 -2.00 321.05 0.00e+00 4.232512e-03 8.922844e-04 7.278805e-03 -6.000000e+00 9.076690e-03 294.42 -2.00 20.00 -2.00 320.32 0.00e+00 4.900 0.001 302.00 328.00 3 1.8207e+00 6.5266e-03 6.6925e-02 -6.0000e+00 4.8478e-01 5.6795e-03 8.7406e-03 5.5959e-02 -6.0000e+00 5.2295e-01 -7.2072e-02 7.9964e-03 1.9773e-02 -6.0000e+00 3.1363e-01 1.6348e-02 3.8887e-03 4.8534e-03 -6.0000e+00 1.3590e-01 3.7150e-04 3.3008e-04 1.0172e-04 8.6963e-05 -6.0000e+00 9.3133e-03 1.0808e-02 0.0000e+00 12 9 8 11 4 0 3.85 33.30 0.53 0.01081 0.01329 86 10 1 5 0 625.390 41.25 20.00 33.30 33.11 4.0 1033.87 -106301 -84438 900000 -80098 -171483 83903 -129700 9577 -121910 -97635 -123625 -128965 13012 21047 -43673 25610 -50989 -7732 -51237 -7388 -47027 -18713 5633 -13328 -32624 -12210 -5154 -8062 -15318 -36069 -21940 -3370 -18272 4223 -670 -15053 -8339 -10040 2897 -2402 -9198 8350 3247 8777 731 9515 76 1429 3335 1334 -1979 2688 1944 4289 1843 4221 8626 3588 -750 583 157 2232 2805 4401 2068 2982 779 2017 3036 1550 887 1541 3986 207 325 358 -1126 -3413 -3495 -4080 -3038 -296 -2805 -1122 -760 -1142 1281 827 2011 1993 1359 73 -2237 -1796 -1877 -1742 -986 869 152 -926 -620 -2406 -2266 -1424 -838 -1439 -1137 -756 777 1801 1501 1265 1468 642 -144 -1061 161 242 632 821 339 558 678 717 477 -747 -1704 -323 -286 -199 -284 -665 -434 -633 -263 -99 292 733 771 -55 -250 -190 -142 -741 -563 900000 -558 -2755 280 -1416 32 -1552 -1066 -1836 -2229 67 128 -636 225 -1098 -120 -1336 -132 -1297 -391 96 -295 -940 -304 -123 -196 -429 -1311 -805 -121 -883 179 -29 -743 -417 -596 184 -194 -908 749 325 863 79 971 9 166 394 170 -285 412 329 772 363 846 1709 754 -162 122 34 513 722 1255 645 908 236 611 974 576 373 684 1744 91 132 131 -384 -1166 -1284 -1757 -1516 -165 -1775 -745 -537 -871 1009 680 1657 1608 1037 53 -1558 -1235 -1396 -1475 -955 949 168 -1063 -680 -2718 -2329 -1415 -881 -1630 -1353 -870 951 2407 2224 2012 2363 1014 -216 -1527 226 352 970 1331 562 905 1064 1092 697 -1064 -2362 -442 -427 -332 -523 -1321 -904 -1388 -612 -224 685 1748 1864 -132 -620 -449 -322 SS 20250822T123524.4Z 9365.524588 69 1 54.18 2 77.36 83.79 69.16 82.47 0.00 1 0.00 1 0 17 2.366e-01 9.893e-03 6.421e-02 2.050e-03 5.245471e-01 1.098299e-03 6.374731e-03 -6.000000e+00 1.382893e-01 229.35 -2.00 3.24 -2.00 320.72 0.00e+00 5.010910e-04 4.666857e-04 5.156610e-03 -6.000000e+00 6.351538e-03 294.42 -2.00 20.00 -2.00 319.96 0.00e+00 4.442 0.001 302.00 328.00 3 1.5858e+00 3.6359e-03 5.7728e-02 -6.0000e+00 3.4343e-01 -3.1233e-02 4.7159e-03 4.5043e-02 -6.0000e+00 3.7047e-01 -4.4102e-02 4.1301e-03 1.4619e-02 -6.0000e+00 2.2206e-01 9.2578e-03 2.0496e-03 5.9700e-03 -6.0000e+00 9.5925e-02 7.7427e-04 2.3229e-04 6.1294e-05 5.7856e-05 -6.0000e+00 6.5941e-03 1.0294e-02 0.0000e+00 12 9 8 11 4 0 16.58 33.35 0.39 0.01029 0.01204 140 16 1 5 0 386.930 41.25 20.00 33.35 33.35 4.0 1035.04 -100930 -85042 -75237 -33991 -65572 -85475 -97258 -70451 -58652 -77230 -61972 -52349 -35534 -29435 -50019 -25680 9353 -14134 -21784 -15263 -6748 -21779 -10338 -7262 -10363 -18911 -6892 -3122 -27610 -20280 -14489 -10667 -12601 -13926 -3498 -13216 -226 -306 -5830 2300 2288 954 3293 3120 5262 1665 2730 -44 1803 -2694 1277 1235 4546 3406 2425 2082 2717 926 1804 333 2149 2405 4480 4437 3165 1579 293 -450 578 2172 1828 1494 1371 1446 -1327 -1591 -2290 -4907 -2765 -2550 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