File name: Pandora206s1_BuffaloNY_20240821_L2Fit_fout2c1d20220512p1-8.txt File generation date: 20240822T052232.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Kang Sun Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 206 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora206_OF_v3d20211008.txt Instrument calibration file used: Pandora206s1_CF_v1d20220512.txt Level 1 file used: Pandora206s1_BuffaloNY_20240821_L1_smca1c1d20220512p1-8.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]: 305.0398 305.1808 305.3218 305.4628 305.6038 305.7447 305.8857 306.0266 306.1675 306.3084 306.4493 306.5902 306.7311 306.8720 307.0128 307.1537 307.2945 307.4353 307.5761 307.7169 307.8577 307.9985 308.1393 308.2800 308.4207 308.5615 308.7022 308.8429 308.9836 309.1243 309.2649 309.4056 309.5462 309.6869 309.8275 309.9681 310.1087 310.2493 310.3899 310.5305 310.6710 310.8116 310.9521 311.0926 311.2331 311.3736 311.5141 311.6546 311.7950 311.9355 312.0759 312.2164 312.3568 312.4972 312.6376 312.7779 312.9183 313.0587 313.1990 313.3394 313.4797 313.6200 313.7603 313.9006 314.0408 314.1811 314.3214 314.4616 314.6018 314.7421 314.8823 315.0225 315.1626 315.3028 315.4430 315.5831 315.7232 315.8634 316.0035 316.1436 316.2837 316.4238 316.5638 316.7039 316.8439 316.9839 317.1240 317.2640 317.4040 317.5439 317.6839 317.8239 317.9638 318.1038 318.2437 318.3836 318.5235 318.6634 318.8033 318.9431 319.0830 319.2228 319.3627 319.5025 319.6423 319.7821 319.9219 320.0616 320.2014 320.3412 320.4809 320.6206 320.7603 320.9000 321.0397 321.1794 321.3191 321.4587 321.5984 321.7380 321.8776 322.0172 322.1568 322.2964 322.4360 322.5755 322.7151 322.8546 322.9941 323.1336 323.2731 323.4126 323.5521 323.6916 323.8310 323.9705 324.1099 324.2493 324.3887 324.5281 324.6675 324.8069 324.9462 --------------------------------------------------------------------------------------- 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 2.871e-02 4.365e-01 2.124e-02 1.039918e+00 1.254010e-02 1.212122e-02 -6.000000e+00 2.765859e-01 231.24 -2.00 3.55 -2.00 322.40 0.00e+00 -2.177518e-02 7.460936e-03 5.344080e-03 -6.000000e+00 1.343779e-02 287.41 -2.00 20.00 -2.00 321.92 0.00e+00 7.487 0.008 302.00 328.00 3 1.9526e+00 5.2973e-02 9.4791e-02 -6.0000e+00 6.9255e-01 1.3558e+00 7.0758e-02 6.0504e-02 -6.0000e+00 7.5406e-01 -1.9036e+00 5.2724e-02 3.7139e-02 -6.0000e+00 4.4774e-01 7.6437e-01 2.4210e-02 1.6916e-02 -6.0000e+00 1.8851e-01 1.7305e-05 -1.0956e-03 5.5723e-04 2.6967e-04 -6.0000e+00 1.2321e-02 4.5196e-04 -8.8169e-05 12 9 9 12 5 1 19.35 17.07 1.21 0.00045 -0.00778 16 7 2 8 0 2011.920 15.00 17.07 19.44 19.96 19.64 23.2 937.47 -55412 29243 5126 29649 -6033 93989 -77057 6249 -101393 -82413 52859 900000 -94641 270686 -18695 900000 900000 54590 62885 18100 900000 -9114 900000 -6368 900000 -58987 900000 -18793 77397 28158 86730 -4972 126866 900000 30292 3831 -34368 106238 72217 195526 4737 67678 20675 45368 64944 58860 -2546 -54657 900000 5863 58366 46344 55132 14979 79999 35629 94169 88176 64925 -8338 -6653 19205 5800 16115 1081 19933 16690 39639 17766 25064 15366 37665 17276 38265 27090 14215 36134 -1012 4977 3530 1473 10100 7441 -8440 6818 11589 12963 -16125 1967 -2736 6121 -4966 14008 -1971 3507 -3347 -296 -5772 -3599 -2536 -1606 -2309 786 -2443 1400 -7959 -4368 -529 -4562 -2693 -850 -2420 -3126 -1105 1014 -679 363 602 61 1800 2027 844 1300 2099 2418 3145 2495 2995 2340 -629 822 827 -788 96 -592 414 -232 1245 63 247 -122 -2933 -973 -2197 605 106 613 -125 1944 -2608 129 -5719 -4184 1093 900000 -6228 5598 -703 900000 900000 1129 1301 510 900000 -291 900000 -239 900000 -4436 900000 -777 1601 582 1794 -187 2624 900000 854 130 -1809 2197 1901 4044 338 2672 1283 2047 2418 2191 -153 -5549 900000 400 2656 2684 3193 1425 4302 3169 4869 4742 4028 -966 -715 1668 648 1867 157 2350 2071 4181 2609 3992 2987 6076 3323 5461 3810 1970 3737 -157 834 730 372 2757 2355 -3334 2468 4243 4853 -8204 826 -1149 2177 -1880 4404 -787 1552 -1897 -192 -4243 -2896 -2040 -1205 -1714 497 -1566 936 -6157 -3451 -440 -4057 -2760 -1001 -3216 -4378 -1523 1330 -878 471 816 87 2609 2832 1117 1643 2553 3125 3949 3071 3920 3344 -1090 1600 1778 -1859 241 -1636 1194 -683 3643 184 676 -307 -6927 -2129 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 6.790e-01 1.508e-02 2.783e-01 5.348e-03 9.082042e-01 2.977543e-03 1.012207e-02 -6.000000e+00 3.857075e-01 231.24 -2.00 3.55 -2.00 322.04 0.00e+00 5.803033e-03 1.823187e-03 9.664142e-04 -6.000000e+00 1.713432e-02 287.41 -2.00 20.00 -2.00 321.55 0.00e+00 5.935 0.004 302.00 328.00 3 1.5385e+00 1.2281e-02 7.7731e-02 -6.0000e+00 9.6535e-01 5.3125e-01 1.8252e-02 5.4464e-02 -6.0000e+00 1.0455e+00 -7.3164e-01 1.8165e-02 2.7648e-02 -6.0000e+00 6.2271e-01 2.9260e-01 8.1474e-03 1.2025e-02 -6.0000e+00 2.6468e-01 1.2766e-04 -9.4880e-04 1.3465e-04 1.4356e-04 -6.0000e+00 1.7317e-02 9.7682e-04 -6.9892e-05 12 9 8 11 4 0 -6.68 17.07 0.51 0.00098 -0.00615 92 28 4 8 0 498.000 15.00 17.07 19.79 19.96 19.64 23.3 940.16 -296825 -55407 -252225 -152852 -255230 -203142 -218081 -174058 -165090 -206544 -149005 -202459 -154826 -46794 -36323 -75108 -7086 -100405 -17966 -98089 9853 -87146 -30459 -46394 -66348 -93338 -85356 -32267 -85175 -3010 -13727 11708 -24864 127893 -14401 88452 -33771 39351 17667 3240 17345 3334 23856 -6344 35027 -7384 18138 -10396 35907 13515 35244 15517 10688 13919 17285 30384 17437 30299 4570 11591 -611 16795 4117 22853 9723 15740 8865 8817 11673 7523 9440 7771 10025 6356 5241 1856 4580 -2161 3072 -1453 837 1862 -1798 -1089 -845 2788 -665 1286 -1231 -43 -553 1572 -1831 -1482 -4381 -2372 -1659 -766 -481 -1276 410 -1508 -1477 -2962 -1385 -1828 -694 -2423 -904 -999 189 -827 -357 563 -587 267 -1218 682 -407 777 589 1116 813 1194 1263 803 920 1203 911 402 337 245 409 -30 -55 -129 -37 218 290 -418 -189 -707 -974 -6614 -289 -4664 -1015 -4114 -1830 -2378 -1320 -1252 -2546 -1060 -2784 -1762 -244 -224 -855 -52 -1904 -178 -2046 77 -1570 -349 -677 -1246 -2385 -2048 -438 -1910 -33 -215 177 -648 800 -353 738 -1039 677 461 118 624 148 908 -334 1224 -404 795 -640 1498 768 1838 1125 897 1249 1605 2567 1728 2607 484 1100 -67 1699 550 2968 1572 2380 1461 1536 2192 1566 2144 1868 2310 1548 1156 374 843 -443 694 -423 259 668 -748 -477 -393 1333 -344 668 -655 -22 -261 685 -813 -695 -2453 -1558 -1283 -693 -485 -1305 387 -1294 -1114 -2226 -1107 -1546 -613 -2374 -977 -1249 268 -1297 -573 882 -893 387 -1821 1051 -671 1303 962 1706 1197 1689 1718 1067 1183 1634 1460 752 651 517 920 -71 -145 -356 -102 615 811 -1111 -463 -1610 -2116 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 6.803e-01 9.501e-03 9.667e-02 2.315e-03 7.902535e-01 1.260086e-03 8.856323e-03 -6.000000e+00 3.864583e-01 231.24 -2.00 3.55 -2.00 321.56 0.00e+00 1.991154e-03 6.844219e-04 1.218342e-03 -6.000000e+00 1.716680e-02 287.41 -2.00 20.00 -2.00 320.99 0.00e+00 4.938 0.002 302.00 328.00 3 1.2371e+00 4.6837e-03 6.5041e-02 -6.0000e+00 9.6723e-01 1.6751e-01 6.8369e-03 4.4081e-02 -6.0000e+00 1.0475e+00 -2.4649e-01 6.9295e-03 2.3494e-02 -6.0000e+00 6.2391e-01 9.3447e-02 3.1902e-03 7.7423e-03 -6.0000e+00 2.6521e-01 5.1744e-04 -6.1542e-04 5.9885e-05 9.0969e-05 -6.0000e+00 1.7350e-02 4.6672e-04 -7.3407e-05 12 9 8 11 4 0 19.06 17.08 0.32 0.00047 -0.00416 228 70 2 8 0 201.480 15.00 17.08 20.65 19.96 19.64 23.5 946.11 -237751 -205432 -182550 -236567 -232742 -232564 -223465 -210324 -182073 -151227 -200205 -167186 -182671 -122098 -126524 -67177 -68420 -54110 -40700 -36338 -63730 -75182 -53783 -57302 -54771 -58116 -25939 -57316 -49885 -56263 -15990 -25654 -4982 13549 -5695 -25159 -18988 -10695 -15162 2315 -4033 6933 -2628 10714 7507 5029 1057 2984 3319 2644 10072 8838 9094 5002 8031 6092 7739 6010 8977 4260 5185 4456 6068 5986 4481 4863 2946 3671 3283 3352 2195 2135 2141 2940 943 1260 -282 -1320 -669 -633 -1520 -717 -1132 -1234 -933 -444 289 -398 357 584 1113 221 -247 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