File name: Pandora206s1_BuffaloNY_20230130_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T051133.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: ---- Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v2d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20230130_L1_smca1c4d20220512p1-8.txt Full location name: University at Buffalo Short location name: BuffaloNY Country of location: Canada Location latitude [deg]: 43.0015 Location longitude [deg]: -78.7869 Location altitude [m]: 190 Local noon date: 20230130 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]: 305.0744 305.2154 305.3564 305.4973 305.6383 305.7792 305.9201 306.0611 306.2020 306.3428 306.4837 306.6246 306.7654 306.9063 307.0471 307.1879 307.3287 307.4695 307.6103 307.7511 307.8918 308.0326 308.1733 308.3140 308.4548 308.5955 308.7362 308.8768 309.0175 309.1582 309.2988 309.4394 309.5801 309.7207 309.8613 310.0019 310.1424 310.2830 310.4236 310.5641 310.7046 310.8451 310.9857 311.1261 311.2666 311.4071 311.5476 311.6880 311.8285 311.9689 312.1093 312.2497 312.3901 312.5305 312.6708 312.8112 312.9515 313.0919 313.2322 313.3725 313.5128 313.6531 313.7934 313.9336 314.0739 314.2141 314.3543 314.4946 314.6348 314.7750 314.9151 315.0553 315.1955 315.3356 315.4758 315.6159 315.7560 315.8961 316.0362 316.1763 316.3163 316.4564 316.5964 316.7364 316.8765 317.0165 317.1565 317.2964 317.4364 317.5764 317.7163 317.8563 317.9962 318.1361 318.2760 318.4159 318.5558 318.6956 318.8355 318.9753 319.1152 319.2550 319.3948 319.5346 319.6744 319.8141 319.9539 320.0937 320.2334 320.3731 320.5128 320.6525 320.7922 320.9319 321.0716 321.2112 321.3509 321.4905 321.6301 321.7697 321.9093 322.0489 322.1885 322.3280 322.4676 322.6071 322.7467 322.8862 323.0257 323.1652 323.3046 323.4441 323.5836 323.7230 323.8624 324.0018 324.1413 324.2806 324.4200 324.5594 324.6988 324.8381 324.9774 --------------------------------------------------------------------------------------- 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 20230130T162142.1Z 8430.681737 213 1 28.01 2 62.51 162.04 97.87 49.18 0.00 1 0.00 1 0 17 4.717e-01 3.243e-02 2.243e-01 2.056e-02 3.022624e-01 9.998545e-03 3.728361e-03 -6.000000e+00 2.594739e-01 224.06 -2.00 3.55 -2.00 318.45 0.00e+00 5.975071e-03 1.921398e-03 2.464236e-04 -6.000000e+00 1.116835e-02 272.40 -2.00 20.00 -2.00 317.92 0.00e+00 2.156 0.000 302.00 328.00 3 7.9249e+00 2.6913e-02 2.6244e-02 -6.0000e+00 6.4170e-01 1.1403e-01 3.0638e-02 1.6584e-02 -6.0000e+00 7.0177e-01 4.1210e-02 2.0808e-02 8.6057e-03 -6.0000e+00 4.1670e-01 -2.2319e-02 1.1014e-02 5.5036e-03 -6.0000e+00 1.7639e-01 1.4684e-05 -1.0150e-03 5.7601e-04 4.2171e-05 -6.0000e+00 1.2030e-02 8.2663e-03 -3.4454e-05 12 8 8 10 0 0 18.43 17.50 1.47 0.00827 0.00064 7 7 2 8 0 4000.000 15.00 17.50 5.89 21.06 20.87 14.0 943.45 34883 236858 -86234 144356 59500 47514 37230 381061 1915 47041 203763 97472 16092 33227 1165 4496 32248 -5825 12934 -125 46859 -6782 13865 -1549 3209 -2417 -15197 8780 5585 33109 11771 -11565 -703 7163 11127 7743 -2806 47904 11656 -4373 531 -6116 935 -4729 8662 -8329 -9931 -18010 6542 -1150 -207 299 7818 -1237 7414 2297 18233 -2140 -6642 -1952 -5041 8282 934 3523 15483 959 -5422 -132 -1713 -1820 613 183 3669 1325 1094 -827 2423 -616 -2978 -3238 -1089 1225 -4239 1726 -754 -794 2489 285 -417 2216 -1680 -10539 -643 -2127 -4145 -967 2035 3252 818 1409 -959 -531 -556 -3035 1330 -2082 -1234 808 775 2402 2750 2183 -1975 692 -944 -1125 -4226 -1678 -1516 1146 1176 1877 945 521 -44 1772 -430 1242 1309 -648 981 466 563 -186 -1211 -2670 945 -212 1164 2373 990 -2089 -1990 1422 4749 -12417 2894 1789 1556 1418 7640 120 2012 4085 2695 1161 2420 134 564 3233 -904 1748 -20 4916 -1149 1946 -264 533 -439 -3145 1351 845 4071 1990 -2618 -158 1529 2149 1532 -662 8131 3294 -1686 210 -2694 400 -2178 3518 -4062 -4868 -9446 2657 -511 -98 151 3858 -706 3960 1303 8938 -1268 -4025 -1131 -3156 4949 659 2606 10023 655 -3720 -85 -1201 -1461 520 161 3073 1082 822 -583 1508 -382 -2042 -2551 -912 1109 -4285 1711 -824 -927 2942 354 -521 2559 -1845 -11533 -605 -1999 -4302 -1050 2399 4227 1141 1885 -1223 -634 -624 -3669 1623 -2741 -1686 1135 1149 3763 4532 3633 -3269 1033 -1309 -1528 -5975 -2429 -2277 1773 1826 2828 1445 760 -62 2303 -542 1580 1807 -975 1531 749 919 -318 -2164 -5048 1754 -408 2198 4256 1787 -3731 -3475 SS 20230130T172537.5Z 8430.726128 240 1 28.00 2 60.59 179.23 88.56 59.93 0.00 1 0.00 1 0 17 1.433e-01 2.748e-02 1.213e-01 1.810e-02 3.140372e-01 8.824526e-03 3.804960e-03 -6.000000e+00 7.879803e-02 224.07 -2.00 3.55 -2.00 318.16 0.00e+00 -2.920333e-03 1.551035e-03 3.557088e-04 -6.000000e+00 3.392247e-03 272.40 -2.00 20.00 -2.00 317.60 0.00e+00 2.028 0.000 302.00 328.00 3 7.8921e+00 2.3507e-02 2.5592e-02 -6.0000e+00 1.9487e-01 1.5161e-01 2.6775e-02 1.6807e-02 -6.0000e+00 2.1314e-01 2.7541e-02 1.7977e-02 8.1286e-03 -6.0000e+00 1.2655e-01 -2.8618e-02 9.4120e-03 3.5006e-03 -6.0000e+00 5.3558e-02 1.7228e-05 -1.6006e-03 5.0380e-04 3.0271e-05 -6.0000e+00 3.6549e-03 8.0384e-03 -1.2234e-04 12 8 8 10 0 0 -10.95 17.50 3.90 0.00804 -0.00399 7 7 2 8 0 4000.000 15.00 17.50 6.11 21.06 20.87 13.9 944.39 -30483 83356 9898 42075 12644 65985 37841 31991 41864 -33565 25533 5321 1354 -19891 3326 15088 23597 7211 11407 -7194 25830 12500 -4006 54029 -11833 -8556 -7380 18825 -5483 4611 -5157 -6134 825 9406 -3464 -4599 -2163 6534 6415 -5468 10383 -5605 6246 -1607 11720 -7585 -11427 -15570 5934 -2900 -6864 2543 1316 1670 4026 5370 1466 -6379 -1966 2707 -544 6500 70 4885 3355 281 -3210 -1283 -1135 -5711 3506 1392 4476 1401 2105 -920 3507 -6958 -5242 -2720 -140 2324 -6876 2353 3104 -96 2186 2602 -2166 4225 -2544 -827 -435 -1753 -3268 -1845 2152 1750 2755 -780 1514 -1464 -1967 -2759 115 -2688 -516 243 711 1394 1681 2230 -1453 -545 -3004 100 -3004 998 -2167 121 -427 1561 334 35 2487 -720 880 -2234 3772 -1712 2756 -3087 420 -736 1072 -1357 2134 718 562 2225 -1045 -1656 -1497 -2455 2502 614 1807 640 1942 1626 1676 2266 -3995 1713 439 133 -2753 419 1865 2782 1047 1656 -1307 3542 1872 -744 6327 -2763 -2032 -1727 3224 -1097 833 -1111 -1440 199 2137 -817 -1091 -560 1822 2190 -2401 4234 -2786 2835 -786 5124 -3874 -5915 -8211 2574 -1392 -3692 1339 718 966 2352 3274 921 -4283 -1266 1639 -350 4208 51 3631 2491 203 -2261 -873 -835 -4875 2965 1244 3956 1216 1665 -666 2204 -4664 -3696 -2132 -120 2154 -7169 2411 3286 -112 2603 3162 -2748 4927 -2903 -847 -409 -1642 -3352 -2072 2584 2273 3707 -1048 1911 -1738 -2202 -3269 144 -3619 -711 348 1035 2161 2748 3647 -2357 -814 -4338 132 -4117 1375 -3307 191 -680 2378 501 50 3281 -967 1101 -2952 5090 -2524 4095 -4992 667 -1233 1882 -2466 3938 1330 1039 4015 -1870 -2860 -2525