File name: Pandora32s1_GreenbeltMD_20240619_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240620T051946.5Z 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 v1.8.59 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20240619_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: 20240619 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 20240619T102803.6Z 8936.436153 136 1 48.45 2 82.89 65.51 123.72 265.97 0.00 1 0.00 1 0 25 3.807e-01 2.486e-02 2.459e-01 1.261e-02 8.660033e-01 7.118564e-03 9.562003e-03 -6.000000e+00 2.219404e-01 232.80 -2.00 3.47 -2.00 322.00 0.00e+00 -3.086781e-03 3.672065e-03 3.097835e-03 -6.000000e+00 1.010676e-02 287.86 -2.00 20.00 -2.00 321.46 0.00e+00 7.417 0.007 302.00 328.00 3 1.7311e+00 2.6960e-02 8.8988e-02 -6.0000e+00 5.5666e-01 1.0995e+00 3.3505e-02 5.3292e-02 -6.0000e+00 6.0110e-01 -1.5976e+00 2.3416e-02 2.3489e-02 -6.0000e+00 3.5789e-01 6.5583e-01 1.1453e-02 7.4752e-03 -6.0000e+00 1.5163e-01 2.5903e-05 -1.5963e-03 3.3486e-04 8.8487e-05 -6.0000e+00 1.0197e-02 9.6195e-03 -9.6907e-05 12 8 8 10 0 0 18.66 22.10 1.54 0.00962 -0.00238 27 6 1 5 0 1794.130 26.51 20.01 22.10 25.47 4.7 1013.66 14222 -52495 -13195 -7878 -37017 -58681 -52831 47379 -53756 -48901 -47799 -112304 68151 -41884 -32115 -29656 -807 235318 38733 40289 -45188 449 117942 -20983 137236 -20038 900000 -4914 36787 -2417 29715 22385 1955 14758 -27737 -19020 -27317 33333 -6107 34103 41163 54390 76750 105390 47449 44543 41012 69663 10348 4571 78876 35064 49869 21416 37323 5324 36418 35020 33874 17100 18584 8495 15521 24737 23862 -2988 15930 10789 7423 29720 -2759 13498 3824 10963 -6374 7236 1938 -4128 3466 -9669 -2177 1589 -1854 7128 10545 -1612 -7685 1373 5621 3678 151 11876 -2247 -7341 -6874 -4570 -4009 1542 -1762 -3130 -3857 -6130 -4139 -4587 -2710 -4640 -3115 -2122 -900 -1181 -168 913 -263 29 636 -24 -877 -1857 1564 -123 1696 1811 2555 3696 1121 894 -67 668 -666 1982 1417 -718 417 335 93 -226 912 -589 -215 361 -42 -814 -2263 381 -2992 -501 -255 -1324 -2229 -1830 635 -2102 -1858 -1763 -8031 914 -2012 -1651 -1690 -37 2892 1381 1387 -3181 20 1595 -1186 1687 -1207 900000 -223 995 -95 950 908 111 780 -2114 -1216 -1914 1434 -465 2054 2580 3142 3585 3627 2799 2628 2470 3168 878 433 3878 2974 3984 2448 3853 785 4029 3874 3581 1997 2079 1107 2118 3497 3695 -606 2624 1923 1496 5516 -790 3451 1067 2668 -1661 1450 374 -847 733 -2793 -698 572 -777 2935 4459 -818 -3967 736 2888 1867 75 4905 -1035 -3690 -3895 -2994 -2809 1194 -1591 -2984 -3547 -5192 -3071 -3311 -2041 -3821 -2673 -1942 -903 -1368 -221 1315 -400 45 925 -34 -1252 -2800 2420 -202 2729 2787 3723 5179 1567 1215 -89 911 -1050 3564 2902 -1505 925 800 238 -622 2544 -1690 -614 987 -106 -1933 -5149 SS 20240619T103848.3Z 8936.443614 139 1 48.35 2 80.97 67.09 125.73 267.50 0.00 1 0.00 1 0 17 5.011e-01 1.540e-02 1.693e-01 4.142e-03 7.510387e-01 2.272799e-03 8.889088e-03 -6.000000e+00 2.915682e-01 232.80 -2.00 3.47 -2.00 321.50 0.00e+00 7.041812e-03 1.190686e-03 5.179380e-03 -6.000000e+00 1.292862e-02 287.86 -2.00 20.00 -2.00 320.92 0.00e+00 6.037 0.004 302.00 328.00 3 1.5365e+00 8.2608e-03 7.5311e-02 -6.0000e+00 7.3226e-01 3.7337e-01 1.1238e-02 4.8639e-02 -6.0000e+00 7.9089e-01 -5.6762e-01 1.0382e-02 2.5983e-02 -6.0000e+00 4.7039e-01 2.3005e-01 4.8759e-03 8.2482e-03 -6.0000e+00 2.0066e-01 1.3536e-04 -9.7363e-04 1.1008e-04 1.5439e-04 -6.0000e+00 1.3483e-02 9.7900e-03 -8.4048e-05 12 9 8 11 8 0 39.08 22.12 0.72 0.00979 0.00247 74 17 1 5 0 653.310 26.51 20.01 22.12 26.14 4.6 1017.42 900000 -188697 -97894 -164318 -194669 -105710 -169879 -31943 -159392 -149354 -155263 -178286 7969 -132504 78369 -87337 -43833 -37172 -52958 43336 -71531 -29744 -52987 -43752 -33450 -60215 114654 -46278 18465 -60076 -28859 -1255 -13686 18034 -32528 14555 -20244 -14759 3797 14317 40170 11973 2452 12855 9068 21260 4841 34031 -1598 4690 12139 18606 22458 11597 23689 9315 8723 5771 7858 15184 3168 12316 6617 11145 10519 5695 7916 4472 9123 5133 6151 3827 2308 5712 585 2295 -5097 -4152 -2174 -4253 1072 -747 -570 -1934 148 774 -1006 1250 -392 1396 156 502 -181 -4341 -1348 -2941 -1869 -367 -1250 -1014 -1318 -1729 -2478 -1181 -1958 -2494 -753 -1376 -87 -162 -59 441 339 60 -456 492 -55 291 731 340 871 412 1225 1225 940 828 446 1318 -167 354 807 -317 311 77 231 -83 132 -329 14 -68 -439 -300 -985 900000 -4088 -935 -3017 -4360 -982 -2745 -155 -2751 -2468 -2794 -4386 42 -3406 348 -2277 -938 -826 -1497 490 -2364 -697 -1562 -1237 -905 -2213 741 -1458 298 -2257 -944 -39 -564 597 -1747 464 -957 -763 198 804 1979 846 183 892 729 1546 388 2323 -149 439 1168 1892 2433 1524 2940 1389 1345 915 1183 2063 492 1899 1237 2283 2368 1351 1802 1079 2295 1553 2067 1391 851 1930 190 655 -1441 -1165 -664 -1590 454 -374 -291 -1073 86 475 -665 838 -268 915 97 292 -101 -2595 -875 -2276 -1683 -378 -1344 -1125 -1399 -1796 -2329 -1069 -1903 -2608 -817 -1487 -102 -216 -88 666 527 92 -721 740 -83 458 1128 552 1407 644 1956 1897 1411 1202 627 1884 -273 617 1567 -671 647 173 551 -210 323 -822 35 -176 -1069 -678 -2137 SS 20240619T105020.5Z 8936.451626 144 1 48.83 2 78.90 68.75 127.89 269.17 0.00 1 0.00 1 0 17 4.025e-01 8.803e-03 7.724e-02 2.670e-03 6.462634e-01 1.430740e-03 7.402003e-03 -6.000000e+00 2.341093e-01 232.80 -2.00 3.47 -2.00 320.88 0.00e+00 3.797178e-03 6.291497e-04 2.096521e-03 -6.000000e+00 1.034710e-02 287.86 -2.00 20.00 -2.00 320.23 0.00e+00 5.007 0.002 302.00 328.00 3 2.0108e+00 4.6974e-03 6.0806e-02 -6.0000e+00 5.8797e-01 8.8582e-02 6.2023e-03 3.5795e-02 -6.0000e+00 6.3471e-01 -1.6472e-01 5.8037e-03 1.9108e-02 -6.0000e+00 3.7779e-01 6.1684e-02 2.8250e-03 6.3676e-03 -6.0000e+00 1.6025e-01 2.5482e-04 -6.0296e-04 7.2813e-05 8.2280e-05 -6.0000e+00 1.0734e-02 9.5499e-03 -7.3166e-05 11 8 0 10 0 0 68.46 22.16 0.51 0.00955 0.00502 79 19 1 5 0 618.080 26.62 20.00 22.16 26.99 4.7 1022.50 -154286 -85883 -139485 -120657 -106842 -167080 -118010 -142070 -118174 -121516 -113268 -97327 -103621 -62182 -83803 -12036 -36032 -42518 -17054 -12940 -4153 -33479 -6212 -25379 -23434 -10371 -9256 -7420 -15586 -29246 -10378 -20986 8560 -5781 -2704 -7226 -13025 -2425 -9435 2346 2878 7495 -3664 1841 8976 99 7503 4397 5107 2533 5038 9100 5243 6386 2901 2666 2857 1067 3156 981 2506 2823 5190 4466 1887 2197 324 2074 609 2987 1759 -543 1163 307 -355 -1567 -1667 -1826 -2981 -532 -1054 -569 -1704 -1583 161 -1102 -580 329 751 1423 -169 1179 -1130 -768 -920 -215 110 107 227 -1082 -548 -1186 -957 -274 -1151 -1322 -1049 -472 -131 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