File name: Pandora206s1_BuffaloNY_20240902_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20241204T195636.4Z 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 v1.8.60 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v6d20240814.txt Level 1 file used: Pandora206s1_BuffaloNY_20240902_L1_smca1c6d20240814p1-8.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]: 305.0348 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 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 6.667e-01 1.099e-01 4.144e-01 6.739e-02 1.073520e+00 3.890972e-02 1.359584e-02 -6.000000e+00 3.849934e-01 230.16 -2.00 3.55 -2.00 321.08 0.00e+00 -3.069853e-02 7.891038e-03 1.566964e-03 -6.000000e+00 1.759607e-02 286.42 -2.00 20.00 -2.00 320.07 0.00e+00 10.831 0.024 302.00 328.00 3 -6.1288e-01 1.1581e-01 1.2195e-01 -6.0000e+00 9.6697e-01 2.9714e+00 1.3559e-01 6.4676e-02 -6.0000e+00 1.0528e+00 -2.3548e+00 7.4113e-02 2.6975e-02 -6.0000e+00 6.2279e-01 6.1689e-01 3.8475e-02 2.0813e-02 -6.0000e+00 2.6510e-01 5.0577e-06 6.2802e-04 1.6665e-03 3.4715e-04 -6.0000e+00 1.7440e-02 7.4566e-03 0.0000e+00 12 8 8 10 0 0 -152.18 17.15 2.31 0.00746 0.01218 15 5 4 8 0 3122.990 15.00 17.15 20.74 20.04 19.75 23.6 944.42 -3334 900000 79076 101221 -29913 161244 -13493 129638 63488 900000 60869 99299 707 47525 133042 59751 900000 76747 127450 -3087 900000 -4145 900000 71136 244804 -24620 41955 -58747 28437 186044 56394 33327 20835 900000 -17901 18941 -28131 900000 79859 147632 9660 87962 35285 20172 900000 -21858 -3123 -78322 50871 13431 103706 -15329 112218 900000 56567 72583 38470 114488 74719 -25011 -49430 126253 -47174 43344 -30782 42666 20850 87212 48330 4184 -42015 49510 81756 40444 66901 -12482 354890 -30191 105123 -63562 -537 90824 15377 -4796 40566 96028 62373 35722 -1659 3138 10398 18852 13131 20761 2101 -9960 37023 36709 6671 20849 24595 11630 27747 -7024 31311 29860 11626 7271 1588 -8831 7873 -531 -15454 -3338 1623 3949 -4276 818 -3462 9045 -3827 -1062 -6326 -3148 1197 -13135 -6162 -2873 5272 273 8298 -3461 1672 -7794 1310 2851 -3697 3228 1303 -1970 4626 -4390 7907 -966 900000 8647 7194 -6051 10579 -2361 8505 6942 900000 7321 8144 162 7016 8729 8494 900000 8812 9122 -692 900000 -841 900000 8486 16061 -8957 7257 -22425 3562 12206 5382 4373 3355 900000 -3737 2485 -6208 900000 8574 9686 2766 11542 7366 4331 900000 -5606 -615 -31766 5765 2323 8041 -4297 9370 900000 9447 10823 8260 10926 9359 -7310 -16805 8283 -17445 7239 -11199 7838 4788 10871 9830 1372 -23556 12343 13946 9287 10095 -3521 23284 -9508 9656 -37532 -197 15493 6154 -2454 13840 19531 18006 13359 -871 1462 4093 6431 4738 7492 1062 -6665 17975 20712 5559 14910 15652 7402 13107 -4608 14996 15085 7399 5247 1365 -9850 8626 -696 -24435 -4664 2087 4793 -5694 1078 -4997 11690 -5374 -1352 -8135 -3800 1343 -16632 -7115 -3488 7091 455 14590 -7585 3784 -21119 3540 8025 -11304 9361 3822 -5597 11320 -10858 16601 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 25 5.019e-01 1.880e-02 2.715e-01 7.088e-03 9.405113e-01 4.046251e-03 1.041812e-02 -6.000000e+00 2.840425e-01 230.16 -2.00 3.55 -2.00 322.30 0.00e+00 3.176630e-03 2.523709e-03 1.649840e-03 -6.000000e+00 1.261126e-02 286.42 -2.00 20.00 -2.00 321.81 0.00e+00 7.291 0.007 302.00 328.00 3 1.8891e-01 1.7146e-02 9.0033e-02 -6.0000e+00 7.0928e-01 8.8967e-01 2.4160e-02 5.8806e-02 -6.0000e+00 7.6884e-01 -1.2530e+00 2.1723e-02 2.8789e-02 -6.0000e+00 4.5808e-01 5.0562e-01 9.7718e-03 1.0456e-02 -6.0000e+00 1.9504e-01 1.3731e-04 -1.2998e-03 1.8307e-04 1.2572e-04 -6.0000e+00 1.2795e-02 6.8737e-03 0.0000e+00 12 8 8 10 0 0 91.97 17.15 0.45 0.00687 -0.00289 113 35 2 8 0 405.700 15.00 17.15 21.37 20.04 19.85 23.6 948.32 -186217 66193 -113205 -18494 -150115 -136372 -192633 -61128 -155458 -124684 -106116 -179493 -174263 -82947 -39315 94206 28759 -25398 -30821 -50616 -3191 8915 123617 -27205 -26786 -81976 -32369 -48341 -81909 -10009 -30960 -46905 -23298 56478 -18212 -4272 -3353 29214 18906 32493 44017 68479 27828 21466 29581 28271 29706 -7979 33370 16663 36669 22761 34971 33696 42994 59113 33647 36154 22106 11714 21745 17915 29106 24842 10422 14111 14480 14966 14322 12111 13852 9297 14454 11157 22276 4509 4680 -3280 887 325 3331 6161 824 1999 -335 5245 1219 1647 1132 2234 -1172 937 -2063 -798 -3467 -3721 -2647 -1716 -2313 -2012 -2132 -3399 -524 -3183 -2749 -4644 -2299 -1984 -1987 -2204 -944 -1173 -505 -268 127 -300 -777 211 -162 776 867 2802 1822 1683 1756 1672 1439 851 1037 821 878 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0.00e+00 2.846212e-03 8.006245e-04 1.720154e-03 -6.000000e+00 1.760132e-02 286.42 -2.00 20.00 -2.00 321.27 0.00e+00 5.833 0.004 302.00 328.00 3 9.3401e-02 5.3724e-03 7.2292e-02 -6.0000e+00 9.8997e-01 2.3885e-01 7.9775e-03 4.5587e-02 -6.0000e+00 1.0731e+00 -3.5929e-01 8.1639e-03 2.4832e-02 -6.0000e+00 6.3935e-01 1.4268e-01 3.7136e-03 8.3691e-03 -6.0000e+00 2.7223e-01 7.1800e-04 -6.3510e-04 6.6599e-05 1.0104e-04 -6.0000e+00 1.7858e-02 6.5733e-03 0.0000e+00 12 8 8 10 0 0 -20.26 17.15 0.33 0.00657 0.00180 331 102 2 8 0 138.290 15.00 17.15 22.01 20.04 19.75 23.6 953.01 -284311 -196423 -241219 -187115 -231912 -179153 -257801 -207980 -178505 -136519 -205420 -188939 -157457 -139219 -110915 -92486 -72244 -91366 -77523 -87649 -50276 -73811 -49479 -60369 -49413 -58869 -41371 -63712 -67797 -39883 -45614 -25901 -27237 -4751 -21887 -12719 -18980 -5933 -6547 648 3095 7619 2352 1137 9797 3044 11029 2643 9849 4406 9525 10881 12682 13009 9683 10976 7855 7883 4924 5892 2205 6601 7032 9559 6322 7064 6386 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