File name: Pandora206s1_BuffaloNY_20240821_L2Fit_fout2c6d20240814p1-8.txt File generation date: 20241204T193724.5Z 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_20240821_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: 20240821 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 20240821T111234.8Z 8999.467070 181 1 34.21 2 82.96 80.33 76.62 250.06 0.00 1 0.00 1 0 25 4.752e-01 2.873e-02 4.363e-01 2.126e-02 1.039228e+00 1.254578e-02 1.206064e-02 -6.000000e+00 2.765874e-01 231.24 -2.00 3.55 -2.00 322.40 0.00e+00 -2.170763e-02 7.460275e-03 4.918154e-03 -6.000000e+00 1.343982e-02 287.41 -2.00 20.00 -2.00 321.92 0.00e+00 7.487 0.008 302.00 328.00 3 1.6297e+00 5.2964e-02 9.4369e-02 -6.0000e+00 6.9254e-01 1.3548e+00 7.0716e-02 5.9678e-02 -6.0000e+00 7.5399e-01 -1.9028e+00 5.2690e-02 3.6317e-02 -6.0000e+00 4.4772e-01 7.6406e-01 2.4209e-02 1.6862e-02 -6.0000e+00 1.8855e-01 2.3929e-05 -9.8546e-04 5.5761e-04 2.6509e-04 -6.0000e+00 1.2318e-02 8.3544e-03 0.0000e+00 12 9 9 12 1 1 19.35 17.07 1.21 0.00835 0.00095 16 7 2 8 0 2011.920 15.00 17.07 19.44 19.96 19.64 23.2 937.47 -55330 29357 5266 29823 -5857 94107 -76995 6274 -101393 -82424 52842 900000 -94668 270687 -18681 900000 900000 54644 62954 18175 900000 -9036 900000 -6388 900000 -59026 900000 -18780 77424 28161 86725 -4965 126871 900000 30340 3854 -34371 106211 72169 195474 4693 67645 20656 45374 64964 58886 -2517 -54634 900000 5865 58355 46332 55117 14956 79971 35591 94128 88146 64908 -8340 -6653 19198 5787 16103 1081 19933 16672 39608 17716 25015 15326 37633 17256 38255 27090 14217 36120 -1042 4930 3481 1425 10810 7395 -8486 6773 11549 12928 -16154 1946 -2256 6110 -4986 13974 -2023 3443 -3412 -360 -5579 -3655 -2583 -1648 -2342 754 -2482 1362 -7993 -4403 -568 -4606 -2745 -906 -2335 -3184 -1030 1094 -744 441 676 0 1748 1985 949 1267 2066 2544 3112 2460 2951 2288 -576 860 853 -773 28 -591 415 -230 1251 73 198 -90 -2970 -920 -2195 608 109 617 -121 1947 -2607 130 -5722 -4187 1093 900000 -6233 5601 -703 900000 900000 1131 1303 513 900000 -289 900000 -240 900000 -4442 900000 -777 1602 583 1795 -187 2625 900000 856 131 -1810 2198 1901 4045 335 2672 1282 2049 2420 2193 -167 -5550 900000 401 2657 2685 3194 1424 4303 3167 4870 4743 4030 -966 -716 1669 647 1866 157 2351 2070 4180 2603 3986 2981 6074 3321 5462 3812 1971 3737 -162 826 720 360 2930 2341 -3354 2453 4230 4842 -8223 818 -943 2175 -1888 4395 -808 1525 -1935 -234 -4093 -2943 -2080 -1237 -1740 477 -1592 910 -6186 -3481 -472 -4098 -2815 -1067 -3101 -4463 -1419 1434 -963 572 916 0 2535 2775 1256 1601 2515 3285 3909 3029 3865 3272 -997 1672 1832 -1823 71 -1633 1196 -676 3659 214 543 -226 -7017 -2013 SS 20240821T112433.8Z 8999.475391 184 1 45.82 2 80.80 82.33 78.58 252.24 0.00 1 0.00 1 0 25 6.793e-01 1.509e-02 2.783e-01 5.346e-03 9.083312e-01 2.976409e-03 1.012390e-02 -6.000000e+00 3.858791e-01 231.24 -2.00 3.55 -2.00 322.04 0.00e+00 5.760061e-03 1.822534e-03 9.753703e-04 -6.000000e+00 1.714111e-02 287.41 -2.00 20.00 -2.00 321.55 0.00e+00 5.935 0.004 302.00 328.00 3 1.2146e+00 1.2277e-02 7.7648e-02 -6.0000e+00 9.6578e-01 5.3088e-01 1.8249e-02 5.4164e-02 -6.0000e+00 1.0459e+00 -7.3140e-01 1.8163e-02 2.7704e-02 -6.0000e+00 6.2298e-01 2.9257e-01 8.1461e-03 1.1971e-02 -6.0000e+00 2.6481e-01 1.7651e-04 -8.9861e-04 1.3460e-04 1.4438e-04 -6.0000e+00 1.7324e-02 8.8760e-03 0.0000e+00 12 8 8 10 0 0 -6.68 17.07 0.51 0.00888 0.00212 92 28 4 8 0 498.000 15.00 17.07 19.79 19.96 19.64 23.3 940.16 -296946 -55542 -252369 -153005 -255382 -203274 -218186 -174135 -165143 -206581 -149031 -202476 -154853 -46842 -36383 -75180 -7164 -100486 -18049 -98172 9771 -87221 -30515 -46427 -66359 -93336 -85352 -32272 -85191 -3034 -13759 11669 -24904 127851 -14443 88417 -33798 39334 17662 3244 17355 3347 23865 -6343 35021 -7396 18122 -10415 35889 13500 35233 15509 10683 13919 17292 30399 17459 29720 4594 11609 -599 16802 4123 22858 9728 15746 8874 8829 11690 7542 9460 7794 10049 6381 5267 1882 4322 -2137 3094 -1432 706 1886 -1771 -1061 -815 2719 -635 1316 -1291 -13 -624 1603 -1799 -1447 -4346 -2411 -1688 -735 -449 -1289 393 -1529 -1442 -2991 -1352 -1851 -661 -2438 -916 -1003 190 -821 -348 573 -608 275 -1241 690 -428 786 596 1120 816 1195 1263 802 918 1203 916 387 351 241 408 -27 -50 -138 -45 226 296 -414 -189 -711 -981 -6614 -290 -4665 -1015 -4115 -1830 -2378 -1320 -1252 -2546 -1059 -2783 -1761 -244 -224 -855 -52 -1905 -179 -2047 76 -1571 -350 -678 -1245 -2384 -2047 -437 -1910 -33 -215 176 -649 800 -354 738 -1040 677 460 118 624 148 908 -334 1223 -405 794 -641 1497 767 1837 1124 897 1248 1605 2567 1729 2572 486 1101 -65 1699 550 2967 1572 2381 1462 1537 2194 1569 2148 1873 2315 1554 1162 379 798 -438 698 -416 219 677 -737 -464 -379 1300 -328 683 -687 -7 -295 698 -798 -678 -2433 -1584 -1306 -664 -452 -1319 371 -1311 -1088 -2248 -1080 -1565 -584 -2390 -989 -1255 270 -1287 -558 898 -926 399 -1857 1062 -705 1318 974 1712 1201 1691 1718 1067 1181 1634 1468 724 678 509 918 -65 -130 -379 -124 636 829 -1101 -463 -1619 -2131 SS 20240821T113558.6Z 8999.483317 190 1 45.94 2 78.73 84.24 80.48 254.27 0.00 1 0.00 1 0 17 6.804e-01 9.509e-03 9.664e-02 2.314e-03 7.902511e-01 1.259918e-03 8.859154e-03 -6.000000e+00 3.865348e-01 231.24 -2.00 3.55 -2.00 321.56 0.00e+00 2.037755e-03 6.843275e-04 1.329866e-03 -6.000000e+00 1.716910e-02 287.41 -2.00 20.00 -2.00 320.99 0.00e+00 4.938 0.002 302.00 328.00 3 9.1281e-01 4.6828e-03 6.5067e-02 -6.0000e+00 9.6742e-01 1.6778e-01 6.8352e-03 4.4140e-02 -6.0000e+00 1.0477e+00 -2.4658e-01 6.9276e-03 2.3579e-02 -6.0000e+00 6.2403e-01 9.3480e-02 3.1894e-03 7.7476e-03 -6.0000e+00 2.6528e-01 7.1545e-04 -5.4962e-04 5.9874e-05 9.1915e-05 -6.0000e+00 1.7352e-02 8.3481e-03 0.0000e+00 12 8 8 10 0 0 19.06 17.08 0.32 0.00835 0.00422 228 70 2 8 0 201.480 15.00 17.08 20.65 19.96 19.64 23.5 946.11 -237717 -205390 -182503 -236517 -232693 -232524 -223448 -210334 -182105 -151278 -200266 -167241 -182704 -122108 -126517 -67159 -68395 -54078 -40665 -36303 -65077 -75155 -53771 -57313 -54804 -58162 -25987 -57354 -49906 -56267 -17191 -25633 -4958 13575 -5670 -25139 -18974 -10690 -15168 2300 -4053 6913 -2644 10708 7510 5039 1074 3005 3342 2667 9837 8857 9111 5016 8039 6092 7734 6002 8971 4259 5191 4466 6081 6003 4501 4885 2966 3689 3297 3364 2207 2145 2151 2949 952 1269 -273 -1310 -658 -619 -1554 -702 -1118 -1257 -921 -465 300 -386 340 567 1094 234 -236 -448 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