File name: Pandora206s1_BuffaloNY_20250209_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20250210T053315.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.70 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20250209_L1_smca1c6d20240814p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: United States Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20250209 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 223 365 Nominal wavelengths inside fitting window [nm]: 305.0348 305.1758 305.3167 305.4577 305.5987 305.7396 305.8805 306.0215 306.1624 306.3033 306.4442 306.5850 306.7259 306.8668 307.0076 307.1484 307.2893 307.4301 307.5709 307.7117 307.8524 307.9932 308.1340 308.2747 308.4154 308.5561 308.6968 308.8375 308.9782 309.1189 309.2596 309.4002 309.5408 309.6815 309.8221 309.9627 310.1033 310.2438 310.3844 310.5250 310.6655 310.8060 310.9466 311.0871 311.2276 311.3681 311.5085 311.6490 311.7894 311.9299 312.0703 312.2107 312.3511 312.4915 312.6319 312.7723 312.9126 313.0530 313.1933 313.3336 313.4740 313.6143 313.7545 313.8948 314.0351 314.1753 314.3156 314.4558 314.5960 314.7362 314.8764 315.0166 315.1568 315.2970 315.4371 315.5772 315.7174 315.8575 315.9976 316.1377 316.2777 316.4178 316.5579 316.6979 316.8379 316.9780 317.1180 317.2580 317.3980 317.5379 317.6779 317.8178 317.9578 318.0977 318.2376 318.3775 318.5174 318.6573 318.7972 318.9370 319.0769 319.2167 319.3565 319.4963 319.6361 319.7759 319.9157 320.0554 320.1952 320.3349 320.4747 320.6144 320.7541 320.8938 321.0335 321.1731 321.3128 321.4524 321.5921 321.7317 321.8713 322.0109 322.1505 322.2900 322.4296 322.5692 322.7087 322.8482 322.9877 323.1272 323.2667 323.4062 323.5457 323.6851 323.8246 323.9640 324.1034 324.2428 324.3822 324.5216 324.6610 324.8003 324.9397 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20250209T152654.3Z 9171.643684 276 1 24.01 2 63.94 146.71 110.36 4.74 0.00 1 0.00 1 0 17 1.823e-01 2.321e-02 1.931e-01 1.862e-02 3.604292e-01 9.264227e-03 4.328335e-03 -6.000000e+00 1.015744e-01 224.45 -2.00 3.55 -2.00 318.85 0.00e+00 4.307977e-04 2.027670e-03 2.085028e-04 -6.000000e+00 4.516294e-03 272.39 -2.00 20.00 -2.00 318.32 0.00e+00 2.263 0.000 302.00 328.00 3 6.9815e+00 2.5118e-02 2.8874e-02 -6.0000e+00 2.5117e-01 9.1880e-02 2.8916e-02 1.8597e-02 -6.0000e+00 2.7406e-01 2.9026e-02 2.1513e-02 9.3701e-03 -6.0000e+00 1.6245e-01 -1.1720e-02 1.1513e-02 2.7580e-03 -6.0000e+00 6.9981e-02 3.1827e-05 -1.6286e-03 5.2437e-04 2.8474e-05 -6.0000e+00 4.6419e-03 -2.3956e-03 0.0000e+00 12 8 8 10 0 0 -15.89 17.87 2.11 -0.00240 -0.01463 6 6 2 8 0 4000.000 14.99 17.87 4.83 21.48 21.27 23.5 951.43 -58063 900000 900000 81932 54383 900000 53056 -7704 -27007 -4154 151072 7478 -5756 6753 -7127 9400 36965 -975 -15321 -7343 17837 2006 18195 7359 -8891 -781 17721 13219 -3842 6303 -3605 2281 5711 950 5439 -11267 2037 -6123 5210 -4367 1558 -6259 7329 -3658 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1356 -3483 3703 -3120 -7 -1806 2016 -765 -54 -2517 1186 -1506 -660 2416 -1234 3422 123 7066 -3384 2101 -1934 1881 -5553 -838 -2437 741 2330 -1505 3116 -17 -3950 -750 1866 -2099 -221 -2084 3015 106 -1701 -2920 614 -427 1010 3123 3204 3678 -2933 -1865 -2014 SS 20250209T163049.8Z 9171.688076 313 1 24.01 2 58.99 163.42 108.15 18.93 0.00 1 0.00 1 0 17 1.147e-01 2.127e-02 8.753e-02 1.293e-02 3.046481e-01 6.338852e-03 3.658070e-03 -6.000000e+00 6.357565e-02 224.45 -2.00 3.55 -2.00 318.32 0.00e+00 1.958397e-03 1.174946e-03 4.845817e-04 -6.000000e+00 2.719255e-03 272.39 -2.00 20.00 -2.00 317.79 0.00e+00 1.933 0.000 302.00 328.00 3 6.9387e+00 1.6957e-02 2.4589e-02 -6.0000e+00 1.5741e-01 4.9504e-02 1.9258e-02 1.6135e-02 -6.0000e+00 1.7164e-01 2.9332e-02 1.3102e-02 7.7622e-03 -6.0000e+00 1.0189e-01 -9.8997e-03 6.9377e-03 2.8818e-03 -6.0000e+00 4.3455e-02 5.0427e-05 -4.0893e-04 3.5972e-04 2.6018e-05 -6.0000e+00 2.9174e-03 -6.3533e-03 0.0000e+00 12 8 8 10 0 0 -399.16 17.86 1.26 -0.00635 -0.00943 6 6 2 8 0 4000.000 14.99 17.86 4.92 21.48 21.27 23.6 953.36 -3311 49579 16326 -4936 -22860 77551 2411 21881 -24070 19044 26699 31688 18448 5891 22696 2243 41845 -7625 10745 -9591 25545 -8326 20597 -2941 3865 -6048 -3012 9675 265 10091 -26 -3392 -3261 6657 -8742 291 -13135 2294 -2274 -2890 3709 -2088 -220 -4458 7795 -2616 1402 -2988 6009 -4651 -478 -2293 -1169 -122 1456 1630 1391 752 -3927 -1972 -3252 14281 -8850 3668 -3518 837 -3059 103 172 -818 4584 505 2492 2609 2414 -3760 400 -3644 -5087 -3608 -216 -695 -2299 1046 -1116 4698 898 2372 402 2922 301 518 -1267 -1160 -2180 -863 -1143 30 1985 629 1838 452 627 -1984 574 -2286 -340 -139 954 337 768 1584 -1255 -1293 -1731 -558 -2251 -714 -294 878 -829 824 1160 749 -2410 -102 -607 1900 -622 -1579 2329 -301 622 -2619 408 -881 29 3092 2280 719 -1710 -1397 -305 -185 1916 930 -327 -1585 1956 130 1077 -2105 1170 1510 1714 1298 554 2105 283 3898 -1181 1504 -1659 3304 -1444 2782 -533 687 -1237 -611 1649 46 1556 -5 -706 -746 1478 -2123 61 -3403 584 -727 -1076 1440 -900 -97 -2087 3323 -1208 636 -1389 2522 -2168 -226 -1195 -618 -68 829 940 822 447 -2386 -1196 -2042 8080 -6696 2662 -2809 593 -2086 68 118 -627 3700 446 2166 2182 1888 -2893 265 -2368 -3462 -2748 -180 -628 -2282 1043 -1213 5187 1052 2835 495 3399 342 536 -1222 -1099 -2195 -923 -1367 39 2700 858 2398 550 700 -2296 709 -3074 -453 -195 1386 527 1239 2597 -2055 -2041 -2517 -767 -3110 -1007 -428 1353 -1331 1277 1751 1122 -3516 -138 -785 2450 -858 -2367 3559 -475 987 -4426 712 -1642 53 5787 4223 1352 -3154 -2469 -515 SS 20250209T165657.1Z 9171.706217 327 1 17.47 2 57.91 170.73 106.49 24.48 0.00 1 0.00 1 0 25 1.265e-02 5.796e-03 8.049e-03 2.282e-03 2.918775e-01 1.120068e-03 3.578993e-03 -6.000000e+00 7.012056e-03 224.46 -2.00 3.55 -2.00 317.55 0.00e+00 7.023571e-04 1.681578e-04 9.290963e-05 -6.000000e+00 2.999590e-04 272.39 -2.00 20.00 -2.00 317.00 0.00e+00 1.876 0.000 302.00 328.00 3 4.0433e+00 2.9510e-03 2.3669e-02 -6.0000e+00 1.7361e-02 1.7601e-02 3.3266e-03 1.4995e-02 -6.0000e+00 1.8934e-02 -1.2939e-02 2.0695e-03 7.4927e-03 -6.0000e+00 1.1239e-02 2.7014e-03 1.0503e-03 2.2303e-03 -6.0000e+00 4.7909e-03 1.0279e-03 -3.8635e-04 6.2903e-05 2.3489e-05 -6.0000e+00 3.2191e-04 -3.0949e-03 0.0000e+00 12 1 1 12 1 1 99.93 17.85 0.37 -0.00309 -0.00600 18 29 2 8 0 919.440 14.99 17.85 6.37 21.48 21.27 23.6 961.73 -2102 -2603 -878 -3140 -3331 -4716 -5732 -2583 -3434 -2680 -3269 -1855 -1804 155 -382 388 -643 1145 555 1523 2580 -432 1122 745 738 557 943 -928 -1677 -716 1850 -218 1463 -413 -1665 -2405 -2748 77 -1065 -258 -581 -1080 -585 -449 -480 -228 -265 -513 195 -308 918 670 526 1370 681 1375 1416 629 353 373 794 954 1251 1887 344 -443 -24 -1118 69 679 86 312 401 431 54 -75 -85 -861 -300 -555 -1016 -772 -1922 -2002 -1355 -946 -506 -141 240 209 400 658 -138 452 1308 84 639 741 357 137 192 -575 -839 339 -401 -814 -748 -575 -221 -177 135 190 2 -154 114 340 203 211 -19 261 -403 -184 409 358 482 418 345 1129 559 131 297 119 -296 -43 -33 -135 -67 212 43 -224 -335 -376 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