File name: Pandora206s1_BuffaloNY_20240902_L2Fit_fout2c4d20220512p1-8.txt File generation date: 20241121T091116.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v4d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20240902_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: 20240902 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 20240902T110959.9Z 9011.465277 46 1 46.85 2 85.66 83.60 79.21 83.30 0.00 1 0.00 1 0 33 6.666e-01 1.098e-01 4.144e-01 6.741e-02 1.073226e+00 3.891259e-02 1.360630e-02 -6.000000e+00 3.849511e-01 230.16 -2.00 3.55 -2.00 321.08 0.00e+00 -3.077133e-02 7.889260e-03 1.584061e-03 -6.000000e+00 1.759346e-02 286.42 -2.00 20.00 -2.00 320.06 0.00e+00 10.831 0.024 302.00 328.00 3 -3.5002e-03 1.1583e-01 1.2195e-01 -6.0000e+00 9.6687e-01 2.9698e+00 1.3561e-01 6.4655e-02 -6.0000e+00 1.0527e+00 -2.3540e+00 7.4101e-02 2.6988e-02 -6.0000e+00 6.2273e-01 6.1699e-01 3.8457e-02 2.0836e-02 -6.0000e+00 2.6505e-01 2.7528e-06 6.2867e-04 1.6645e-03 3.4760e-04 -6.0000e+00 1.7437e-02 -2.6423e-02 1.4037e-04 12 8 8 10 0 0 -152.18 17.15 2.31 -0.02642 -0.02170 15 5 4 8 0 3122.990 15.00 17.15 20.74 20.04 19.75 23.6 944.42 -3393 900000 79044 101225 -29930 161163 -13571 129606 63506 900000 60973 99368 738 47520 132996 59702 900000 76682 127394 -3137 900000 -4187 900000 71096 244827 -24552 42061 -58630 28512 186031 56334 33258 20763 900000 -17921 18899 -28188 900000 79814 147617 9675 87995 35323 20207 900000 -21855 -3137 -78355 50829 13380 103652 -15373 112178 900000 56547 72577 38483 114520 74758 -24980 -49418 126245 -47193 43322 -30797 42650 20826 87188 48306 4164 -42025 49510 81766 40462 66926 -12457 354907 -30185 105117 -63573 -548 90815 15371 -4797 40569 96034 62382 35732 -1648 3149 10410 18866 13147 20777 2115 -9952 37026 36708 6663 20836 24580 11616 27742 -7012 31326 29874 11643 7289 1608 -8813 7885 -528 -15459 -3348 1608 3935 -4285 809 -3473 9029 -3850 -1080 -6338 -3160 1185 -13150 -6172 -2859 5285 274 8290 -3479 1648 -7572 1285 2815 -3739 3186 1248 -2038 4558 -4189 7864 -984 900000 8645 7196 -6056 10576 -2375 8505 6946 900000 7336 8151 170 7017 8728 8489 900000 8806 9120 -703 900000 -849 900000 8483 16067 -8935 7277 -22386 3572 12208 5377 4365 3344 900000 -3742 2480 -6222 900000 8571 9687 2771 11549 7376 4340 900000 -5607 -618 -31787 5762 2315 8039 -4311 9369 900000 9446 10825 8265 10931 9366 -7302 -16805 8285 -17456 7237 -11208 7837 4783 10871 9827 1366 -23567 12346 13951 9294 10102 -3515 23291 -9508 9658 -37548 -201 15495 6153 -2456 13844 19537 18013 13366 -865 1467 4099 6438 4745 7499 1069 -6662 17981 20717 5554 14904 15647 7394 13108 -4601 15007 15096 7412 5262 1382 -9832 8642 -693 -24449 -4680 2069 4778 -5708 1067 -5014 11673 -5406 -1375 -8152 -3816 1330 -16655 -7128 -3471 7110 457 14580 -7626 3732 -20474 3474 7925 -11434 9241 3661 -5790 11156 -10337 16514 SS 20240902T112603.6Z 9011.476431 52 1 45.85 2 82.74 86.32 76.40 85.95 0.00 1 0.00 1 0 17 5.019e-01 1.881e-02 2.715e-01 7.088e-03 9.404681e-01 4.047297e-03 1.042075e-02 -6.000000e+00 2.841253e-01 230.16 -2.00 3.55 -2.00 322.29 0.00e+00 3.079015e-03 2.523675e-03 1.199170e-03 -6.000000e+00 1.261225e-02 286.42 -2.00 20.00 -2.00 321.81 0.00e+00 7.291 0.007 302.00 328.00 3 7.9754e-01 1.7149e-02 8.9307e-02 -6.0000e+00 7.0949e-01 8.8926e-01 2.4160e-02 5.6303e-02 -6.0000e+00 7.6899e-01 -1.2525e+00 2.1721e-02 2.8786e-02 -6.0000e+00 4.5818e-01 5.0536e-01 9.7715e-03 1.0361e-02 -6.0000e+00 1.9514e-01 7.4744e-05 -9.8696e-04 1.8325e-04 1.3126e-04 -6.0000e+00 1.2794e-02 -2.8500e-02 1.7571e-04 12 8 8 10 0 0 91.97 17.15 0.45 -0.02850 -0.03592 113 35 2 8 0 405.700 15.00 17.15 21.37 20.04 19.85 23.6 948.32 -186433 66067 -113275 -18448 -150049 -136402 -192671 -61123 -155408 -124553 -105943 -179478 -174361 -83066 -39455 94097 28682 -25477 -30863 -50637 -3175 8955 123600 -27178 -26680 -81838 -32188 -48146 -81796 -10062 -31081 -47011 -23394 56475 -18135 -4255 -3394 29156 18855 32487 44070 68557 27903 21548 29639 28300 29712 -7996 33343 16622 36611 22724 34945 33678 43009 59152 33709 36246 22204 11788 21768 17891 29061 24801 10422 14125 14470 14954 14282 12078 13850 9320 14503 11220 22352 4577 4711 -3284 843 276 3290 6128 812 1994 -340 5247 1226 1657 1147 2255 -1149 952 -2055 -805 -3486 -3744 -2673 -1744 -2332 -2021 -2061 -3395 -522 -3189 -2755 -4648 -2306 -1993 -1934 -2218 -956 -1184 -514 -276 118 -264 -787 199 -133 802 851 2787 1809 1718 1744 1660 1429 854 1045 824 877 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0.00e+00 2.835543e-03 8.006085e-04 1.802968e-03 -6.000000e+00 1.760728e-02 286.42 -2.00 20.00 -2.00 321.27 0.00e+00 5.833 0.004 302.00 328.00 3 7.0181e-01 5.3722e-03 7.2319e-02 -6.0000e+00 9.9036e-01 2.3861e-01 7.9767e-03 4.5652e-02 -6.0000e+00 1.0735e+00 -3.5898e-01 8.1627e-03 2.4893e-02 -6.0000e+00 6.3960e-01 1.4252e-01 3.7131e-03 8.3636e-03 -6.0000e+00 2.7235e-01 3.9082e-04 -5.7696e-04 6.6603e-05 1.0169e-04 -6.0000e+00 1.7863e-02 -2.8001e-02 1.4029e-04 12 8 8 10 0 0 -20.26 17.15 0.33 -0.02800 -0.03234 331 102 2 8 0 138.290 15.00 17.15 22.01 20.04 19.75 23.6 953.01 -284472 -196520 -241275 -187096 -231881 -179192 -257866 -208046 -178562 -136545 -205423 -189028 -157596 -139347 -111038 -92577 -72309 -91429 -77561 -87675 -50278 -73804 -49515 -60403 -49424 -58874 -41349 -63669 -67781 -39947 -45704 -25968 -27305 -4757 -21848 -12727 -19026 -5996 -6618 598 3077 7615 2352 1152 9807 3048 11029 2632 9837 4381 9487 10855 12661 12989 9679 10977 7864 7911 4955 5915 2204 6579 7001 9535 6327 7082 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