File name: Pandora32s1_GreenbeltMD_20231127_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231128T055358.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Thomas Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 32 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20231127_L1_smca1c12d20221109p1-8.txt Full location name: Goddard Space Flight Center Short location name: GreenbeltMD Country of location: USA Location latitude [deg]: 38.9926 Location longitude [deg]: -76.8396 Location altitude [m]: 90 Local noon date: 20231127 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: Based on session 11 with new SO2 and HCHO field cal First and last pixel inside fitting window: 259 401 Nominal wavelengths inside fitting window [nm]: 305.0059 305.1469 305.2878 305.4288 305.5697 305.7106 305.8515 305.9924 306.1333 306.2742 306.4150 306.5559 306.6967 306.8375 306.9783 307.1191 307.2599 307.4007 307.5415 307.6822 307.8230 307.9637 308.1044 308.2451 308.3858 308.5265 308.6672 308.8079 308.9485 309.0892 309.2298 309.3704 309.5110 309.6516 309.7922 309.9328 310.0733 310.2139 310.3544 310.4950 310.6355 310.7760 310.9165 311.0570 311.1974 311.3379 311.4784 311.6188 311.7592 311.8996 312.0400 312.1804 312.3208 312.4612 312.6015 312.7419 312.8822 313.0226 313.1629 313.3032 313.4435 313.5837 313.7240 313.8643 314.0045 314.1447 314.2849 314.4252 314.5654 314.7055 314.8457 314.9859 315.1260 315.2662 315.4063 315.5464 315.6865 315.8266 315.9667 316.1068 316.2468 316.3869 316.5269 316.6669 316.8070 316.9470 317.0869 317.2269 317.3669 317.5069 317.6468 317.7867 317.9266 318.0666 318.2065 318.3463 318.4862 318.6261 318.7659 318.9058 319.0456 319.1854 319.3252 319.4650 319.6048 319.7446 319.8843 320.0241 320.1638 320.3035 320.4432 320.5829 320.7226 320.8623 321.0020 321.1416 321.2813 321.4209 321.5605 321.7001 321.8397 321.9793 322.1189 322.2584 322.3980 322.5375 322.6770 322.8165 322.9560 323.0955 323.2350 323.3745 323.5139 323.6534 323.7928 323.9322 324.0716 324.2110 324.3504 324.4898 324.6291 324.7685 324.9078 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20231127T123734.9Z 8731.526098 281 1 49.39 2 85.00 122.44 92.53 304.28 0.00 1 0.00 1 0 17 2.785e-01 4.610e-02 1.452e-01 2.462e-02 8.943434e-01 1.329691e-02 1.018825e-02 -6.000000e+00 1.564774e-01 223.41 -2.00 3.47 -2.00 321.30 0.00e+00 -2.103984e-02 3.248396e-03 3.962952e-03 -6.000000e+00 6.935229e-03 280.24 -2.00 20.00 -2.00 320.63 0.00e+00 9.828 0.017 302.00 328.00 3 1.8517e-01 3.9518e-02 1.1410e-01 -6.0000e+00 3.8539e-01 1.8543e+00 4.5911e-02 7.7112e-02 -6.0000e+00 4.1940e-01 -2.1501e+00 2.5800e-02 2.1639e-02 -6.0000e+00 2.5036e-01 7.8203e-01 1.4663e-02 2.0751e-02 -6.0000e+00 1.0757e-01 1.1590e-05 4.7951e-04 6.3420e-04 2.2239e-04 -6.0000e+00 7.4096e-03 6.2185e-03 -8.9393e-05 12 8 8 10 0 0 19.92 20.80 2.39 0.00622 0.00982 24 6 1 5 0 2057.760 25.47 20.00 20.80 9.64 3.7 910.18 41549 20643 45967 37700 -14064 -25980 1490 -16391 83295 6860 -9287 -27572 -5973 27193 13022 56860 -20372 22988 -4550 67358 8324 -27137 103165 -34106 43099 -5851 16458 -30107 -27859 -33449 -37560 -39259 -2555 -7732 -9773 -46031 -36439 -29856 -42089 64934 31616 73317 60456 59640 13121 36210 47673 474 81684 -18901 24066 -21786 13462 42193 13327 30778 53765 -6107 12792 1760 38693 -32767 32619 -24148 -3495 15773 -1071 63880 8232 47566 14252 10063 29482 29138 25327 -17498 2797 -17519 -28724 -2417 -17907 27474 6315 16429 13193 2791 20869 -1449 22108 -515 -1851 -8974 7505 -461 -2877 8682 6199 4688 7216 -7633 2680 -13204 -11349 -8485 -9603 -1379 -2517 -898 -3704 5394 -1638 -530 540 527 3231 295 -617 -3495 -578 -741 -10 4387 3687 2302 2017 -343 -782 -1947 -789 3314 1363 -2119 -2841 614 3159 437 -748 -3072 1477 460 934 -218 -700 6529 3919 6119 4525 -2210 -3912 172 -2540 5272 973 -1520 -5295 -952 3264 1904 5584 -4313 3060 -765 5145 1054 -4442 4503 -6476 4233 -970 2047 -5059 -3770 -4307 -5246 -6169 -301 -979 -1152 -7032 -5090 -4431 -8543 5924 4478 7040 6386 5870 1858 3738 4120 64 4902 -3222 2889 -4550 2133 5368 2400 4877 6970 -1407 2242 308 4366 -7709 4385 -6377 -797 2916 -229 7361 1818 8107 3729 2851 6724 6156 4925 -4537 537 -4122 -8344 -638 -6534 7387 2350 5916 5194 1286 8367 -741 8810 -246 -835 -4093 2847 -199 -1450 4585 3929 3489 5838 -7367 2213 -11444 -8636 -6131 -7492 -1059 -2066 -783 -3708 5711 -2144 -758 798 780 4507 410 -866 -5278 -898 -1199 -16 6340 5134 3177 2726 -462 -1028 -2716 -1257 5959 2579 -4546 -6598 1491 8093 1224 -2176 -9267 4247 1283 2407 -523 -1609 SS 20231127T124956.1Z 8731.534677 284 1 48.75 2 83.00 124.52 94.39 306.23 0.00 1 0.00 1 0 25 3.952e-01 2.113e-02 8.289e-02 4.850e-03 8.056592e-01 2.602452e-03 9.296870e-03 -6.000000e+00 2.220707e-01 223.41 -2.00 3.47 -2.00 321.77 0.00e+00 8.015908e-03 1.348983e-03 4.028387e-03 -6.000000e+00 9.840420e-03 280.24 -2.00 20.00 -2.00 321.29 0.00e+00 7.532 0.007 302.00 328.00 3 2.8243e-01 9.3568e-03 8.6591e-02 -6.0000e+00 5.4694e-01 7.7286e-01 1.2120e-02 4.5538e-02 -6.0000e+00 5.9514e-01 -1.1001e+00 1.0405e-02 2.5433e-02 -6.0000e+00 3.5527e-01 4.5972e-01 4.9866e-03 9.5295e-03 -6.0000e+00 1.5270e-01 1.0929e-04 -1.6032e-03 1.2820e-04 1.7090e-04 -6.0000e+00 1.0511e-02 4.0578e-03 -8.6328e-05 12 8 8 10 0 0 26.62 20.80 0.75 0.00406 -0.00799 95 22 1 5 0 513.100 25.47 20.00 20.80 10.30 3.7 914.47 -111446 -78697 -104641 -72858 -110036 -114350 -129034 -138163 -117634 -111237 -115765 -148905 -110640 -93365 -37390 -14914 -18800 -16839 -27147 4917 -13412 -38227 5308 -34805 -8717 -18061 1916 -35113 -35511 -30320 -14344 -13911 -6102 18767 6259 2850 20799 25757 21554 29134 33460 38294 819 42384 26147 36377 19040 44988 35365 18881 33783 28623 38033 29891 21069 27735 24485 22473 19833 17505 22785 18698 13660 17266 16854 10731 14577 16562 10138 14710 12357 7382 6223 10415 4683 -2043 -995 -4846 -4975 -1366 -212 1314 -1838 -399 -686 -826 660 -401 944 1307 -808 -1975 -4157 -4147 -4209 -3388 -2674 -1558 -2313 -1841 -2256 -2568 -2895 -2585 -3412 -3331 -2880 -1699 -1081 -456 -399 -183 -279 101 573 -206 42 9 -244 720 909 2157 2175 1804 1336 1528 1571 1644 949 760 658 427 48 379 344 169 -271 -148 -340 -16 -95 -869 -1823 -3115 -1861 -3375 -1629 -3075 -2901 -3967 -4337 -3450 -3104 -3340 -5698 -3873 -3577 -1043 -402 -596 -565 -1066 142 -457 -1573 136 -1350 -268 -615 53 -1329 -1293 -1090 -516 -612 -292 763 278 121 748 987 1019 1502 1852 2155 70 2426 1756 2220 1405 2639 2392 1599 2700 2694 3580 3294 2681 3398 3150 2912 2523 2178 2683 2467 2164 3038 3276 2243 2882 3282 2326 3365 3236 2139 1814 2741 1182 -538 -238 -1206 -1256 -401 -74 526 -852 -195 -358 -458 380 -242 565 759 -451 -1046 -2166 -2220 -2539 -2398 -2228 -1378 -2329 -1926 -2272 -2334 -2563 -2194 -3092 -2965 -2698 -1692 -1185 -569 -569 -288 -420 151 886 -309 63 14 -372 1142 1435 3492 3358 2716 1964 2173 2159 2318 1531 1323 1297 918 110 861 841 439 -726 -402 -926 -41 -233 -1988 -4280 SS 20231127T130038.8Z 8731.542116 287 1 48.56 2 81.31 126.38 95.97 307.96 0.00 1 0.00 1 0 25 5.406e-01 1.202e-02 5.354e-02 2.047e-03 7.045706e-01 1.076635e-03 8.074757e-03 -6.000000e+00 3.038350e-01 223.41 -2.00 3.47 -2.00 321.19 0.00e+00 6.116311e-03 5.127988e-04 2.486988e-03 -6.000000e+00 1.346272e-02 280.24 -2.00 20.00 -2.00 320.67 0.00e+00 6.247 0.004 302.00 328.00 3 2.5560e-01 3.5866e-03 7.1774e-02 -6.0000e+00 7.4832e-01 2.2189e-01 4.8897e-03 3.8061e-02 -6.0000e+00 8.1425e-01 -3.1080e-01 4.9181e-03 2.2490e-02 -6.0000e+00 4.8607e-01 1.2624e-01 2.3598e-03 9.2161e-03 -6.0000e+00 2.0894e-01 4.3769e-04 -9.0781e-04 5.4878e-05 1.1750e-04 -6.0000e+00 1.4380e-02 3.7180e-03 -7.8403e-05 12 8 8 10 0 0 13.91 20.81 0.56 0.00372 -0.00310 210 49 1 5 0 231.190 25.47 20.00 20.81 11.00 3.7 918.11 -166930 -172323 -148496 -181572 -171936 -191652 -184695 -167201 -155983 -150817 -162154 -161759 -115031 -122131 -68366 -56619 -49458 -43925 -52533 -16904 -46629 -26477 -23790 -49081 -16477 -33376 -21172 -39224 -20090 -38361 -16263 -12342 -6520 3023 -7922 -11406 -9837 -1502 -757 2646 9380 7527 3987 5278 7600 14874 6145 10487 5666 5913 7847 9186 12523 10279 8507 7819 7280 4512 3180 4566 3774 7056 6996 6620 7163 4541 5711 3503 3234 4554 3026 2500 1852 2034 216 -149 -2013 -2760 -1802 -1337 -1189 -1137 -2886 -2230 -1151 -690 -555 193 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