File name: Pandora206s1_BuffaloNY_20250518_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20250519T051644.9Z 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 v1.8.75 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20250518_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: 20250518 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 20250518T141403.9Z 9269.593101 288 1 24.01 2 43.80 107.88 88.77 235.37 0.00 1 0.00 1 0 17 1.252e-01 2.327e-02 9.748e-02 1.774e-02 2.518697e-01 8.917375e-03 3.120970e-03 -6.000000e+00 7.121065e-02 231.11 -2.00 3.55 -2.00 317.93 0.00e+00 2.442183e-03 1.494548e-03 5.580172e-04 -6.000000e+00 3.085582e-03 281.63 -2.00 20.00 -2.00 317.21 0.00e+00 1.384 0.000 302.00 328.00 3 7.8379e+00 2.3983e-02 1.9517e-02 -6.0000e+00 1.7854e-01 -8.1699e-05 2.7043e-02 1.4488e-02 -6.0000e+00 1.9338e-01 6.1313e-02 1.7195e-02 6.5708e-03 -6.0000e+00 1.1480e-01 -2.9395e-02 8.8194e-03 2.9625e-03 -6.0000e+00 4.8702e-02 3.7442e-05 -1.1056e-03 4.9677e-04 2.5588e-05 -6.0000e+00 3.1907e-03 -9.8604e-03 0.0000e+00 12 9 8 11 8 0 88.74 18.36 0.03 -0.00986 -0.01817 6 6 2 8 0 4000.000 15.00 18.36 20.52 21.88 21.69 25.9 1025.23 39621 -9918 26040 -18320 14340 43855 87363 12794 9335 68016 14438 12734 -7560 12965 -17614 11494 23206 23826 2372 -6472 5879 10303 -3442 10951 -2653 -8161 11883 1216 3892 2401 8752 14025 3817 -6290 4805 -9501 -242 -2721 8158 -7783 1504 298 -1002 -5024 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-1674 -1790 -2065 5915 607 -2683 -3287 3174 -1641 1629 -2391 5108 -4811 4017 -88 -1361 -3038 -3835 -1354 -3335 4463 -2646 1671 18 -2132 -3169 209 790 -793 -428 4420 866 -891 -1340 -1298 3161 -141 3833 -2021 723 -862 -520 635 SS 20250518T170909.7Z 9269.714696 381 1 24.00 2 23.29 178.53 117.01 262.91 0.00 1 0.00 1 0 25 3.542e-02 1.686e-02 3.068e-02 1.189e-02 2.038676e-01 5.981143e-03 2.517593e-03 -6.000000e+00 2.015441e-02 231.12 -2.00 3.55 -2.00 316.91 0.00e+00 1.085336e-03 7.581949e-04 8.343694e-05 -6.000000e+00 8.732441e-04 281.64 -2.00 20.00 -2.00 316.20 0.00e+00 1.088 0.000 302.00 328.00 3 7.7209e+00 1.5803e-02 1.5407e-02 -6.0000e+00 5.0532e-02 1.8026e-02 1.7670e-02 1.0922e-02 -6.0000e+00 5.4726e-02 1.1546e-02 1.0381e-02 5.3064e-03 -6.0000e+00 3.2489e-02 -4.8809e-03 4.9777e-03 1.6882e-03 -6.0000e+00 1.3788e-02 6.2256e-05 -6.8620e-04 3.2943e-04 1.7566e-05 -6.0000e+00 9.0270e-04 -1.2138e-02 0.0000e+00 12 8 8 10 0 0 87.20 18.36 2.16 -0.01214 -0.01729 6 6 2 8 0 4000.000 14.99 18.36 22.00 21.88 21.69 26.2 1036.60 -13928 15575 1912 -11533 836 12859 -2716 -6276 1623 8261 8584 -3043 376 821 -81 3279 9552 -664 4891 -7376 7077 1490 4279 3776 1450 -4409 334 -1307 -2536 2688 178 -147 1116 5680 -3895 1802 -7987 -4696 1071 -1751 -850 -3592 2790 -1428 2869 -2626 -3418 -320 -533 -2113 -1317 1069 219 1976 533 2472 1923 1270 -120 -2743 -2053 3520 -879 2594 -1835 641 -2038 -847 -2365 -716 2933 968 4188 2116 2458 -6644 2469 302 -2326 -3110 -1140 919 -652 -868 -1001 1375 1149 579 400 968 99 2612 114 -1107 -1259 -1254 1866 -18 1364 189 -720 -397 -1858 -1976 1421 -4176 -674 763 103 304 1366 144 -1331 -414 578 -152 -766 -1415 -1045 725 1308 -419 53 525 -2015 1578 771 2094 -127 -327 1818 965 1077 -165 -40 -2722 -504 674 1532 -311 1264 -1919 -267 -2300 2195 311 -2062 118 1472 -375 -984 263 1347 1371 -531 69 171 -19 838 2381 -187 1350 -2376 2026 444 1237 1152 471 -1572 116 -436 -804 771 55 -48 383 1980 -1396 567 -2978 -1928 494 -957 -510 -2303 1730 -938 1791 -1732 -2232 -195 -316 -1284 -797 676 146 1364 386 1773 1411 940 -88 -2041 -1547 2672 -755 2304 -1727 540 -1600 -645 -1865 -609 2681 949 4023 2014 2197 -5854 1828 211 -1674 -2514 -1015 885 -664 -917 -1130 1636 1405 740 520 1215 119 2796 116 -1071 -1256 -1371 2113 -24 1801 250 -934 -475 -2159 -2325 1721 -5682 -921 1076 147 459 2153 234 -2114 -605 786 -192 -986 -1839 -1450 1068 1989 -642 80 751 -2782 2067 960 2515 -165 -454 2589 1382 1554 -247 -63 -4546 -844 1143 2621 -529 2108 -3199 -424 SS 20250518T205447.7Z 9269.871385 506 1 24.00 2 51.87 261.68 153.46 315.51 0.00 1 0.00 1 0 17 1.777e-01 2.899e-02 1.565e-01 1.995e-02 2.754819e-01 1.000287e-02 3.311337e-03 -6.000000e+00 1.010631e-01 231.13 -2.00 3.55 -2.00 318.32 0.00e+00 2.829248e-03 1.868086e-03 4.887875e-04 -6.000000e+00 4.379457e-03 281.66 -2.00 20.00 -2.00 317.59 0.00e+00 1.616 0.000 302.00 328.00 3 7.7285e+00 2.7077e-02 2.1911e-02 -6.0000e+00 2.5339e-01 -7.0358e-03 3.0746e-02 1.5604e-02 -6.0000e+00 2.7446e-01 4.3354e-02 2.0506e-02 7.1707e-03 -6.0000e+00 1.6294e-01 -1.0459e-02 1.0702e-02 3.3392e-03 -6.0000e+00 6.9113e-02 3.2281e-05 -5.4396e-04 5.5925e-04 2.8101e-05 -6.0000e+00 4.5285e-03 -9.1459e-03 0.0000e+00 12 8 8 10 0 0 -28.74 18.35 3.67 -0.00915 -0.01323 6 6 2 8 0 4000.000 15.00 18.35 22.17 21.88 21.69 26.2 1037.20 43566 760 103152 -16553 92154 46413 41758 29468 50104 44261 42079 71799 -6230 13902 -15683 18477 23279 24743 -7405 7194 18852 414 11835 5250 8687 -20648 4531 -648 9437 648 13051 -1917 10163 1763 13462 -4922 -1417 -6280 -2501 -8488 -2470 -2049 90 -4952 -6073 3219 -9620 2737 -2664 -1071 -2462 136 -5244 288 4538 1382 25913 -1651 -878 -10776 1555 3273 4280 70 -1508 -2218 -3577 434 -317 -3261 1243 -2944 2033 3139 330 -205 1758 2361 -830 -2847 -952 5429 -4116 -505 -2729 1799 16324 -917 -945 1288 -141 -367 3250 -2997 1588 -1580 -899 675 1959 -107 -2499 -458 -1534 -2058 1969 -1224 -2497 3417 436 502 82 2744 -2751 769 -868 1848 -1036 -4536 -898 -1207 2206 -1716 1508 1452 -1624 -1858 910 -3587 -980 -1419 3460 172 742 501 -1294 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