File name: Pandora32s1_GreenbeltMD_20231119_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231120T055710.2Z 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_20231119_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: 20231119 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 20231119T122834.6Z 8723.519845 51 1 48.02 2 84.95 120.13 149.25 63.71 0.00 1 0.00 1 0 17 2.651e-01 4.547e-02 1.455e-01 2.500e-02 9.311843e-01 1.357250e-02 1.037167e-02 -6.000000e+00 1.489400e-01 223.54 -2.00 3.47 -2.00 321.36 0.00e+00 -2.248693e-02 3.261314e-03 5.142822e-03 -6.000000e+00 6.622601e-03 281.10 -2.00 20.00 -2.00 320.67 0.00e+00 9.759 0.016 302.00 328.00 3 2.0223e-01 4.0535e-02 1.1734e-01 -6.0000e+00 3.6682e-01 1.9437e+00 4.7189e-02 8.7671e-02 -6.0000e+00 3.9917e-01 -2.2580e+00 2.6029e-02 2.2326e-02 -6.0000e+00 2.3838e-01 8.0844e-01 1.4993e-02 2.3018e-02 -6.0000e+00 1.0242e-01 1.1658e-05 1.2604e-03 6.3830e-04 2.5675e-04 -6.0000e+00 7.0540e-03 9.2511e-03 -1.1612e-04 12 8 8 10 0 0 -1.39 20.81 2.50 0.00925 0.01872 24 6 1 5 0 2000.580 25.47 20.00 20.81 10.22 3.7 913.68 87556 35691 44084 -7730 -21092 -33738 10477 20273 -2881 19511 -30152 -11113 45453 -6380 57274 21714 -21406 7004 17065 96407 14064 436 3182 12023 45572 19176 30121 -34089 -41605 -71095 27168 -37886 25665 52198 -58704 -21526 -58897 -1122 -24987 35434 100001 72609 61059 29046 22174 11393 19342 67697 -2513 -1812 -5115 33252 10459 34013 14324 27859 24573 -4916 6707 -18947 4300 -18819 4193 5467 16420 29283 -7017 25381 11632 44400 30540 6979 9460 13455 -10117 -14533 795 3053 -12799 -19969 -6228 16700 4071 -5732 18981 6661 15805 15061 2677 487 -6640 -10683 5482 -1815 90 -3206 10596 3892 5582 -5230 2631 -6069 -18736 -9116 -6114 -2943 -2986 -2204 824 408 -278 813 -1398 -183 3670 -43 -3979 -83 2921 -2993 68 2657 4394 5399 4225 1222 -1059 -2234 -899 1849 439 -3395 -1733 -1404 4238 -63 576 -2730 1287 2230 -1730 1271 -1675 9315 6170 6253 -1508 -3646 -5683 1161 2292 -453 2551 -6349 -1897 4533 -1117 5585 3128 -4697 1118 2345 5556 1683 54 381 1466 4444 2508 3271 -5893 -6363 -13236 1987 -5878 2275 3586 -11060 -2529 -10182 -124 -4264 4320 7070 6904 6252 3753 2757 1444 2122 4456 -337 -252 -798 3891 1657 4561 2479 4415 4134 -1079 1194 -3880 650 -3671 716 1026 2922 4498 -1523 4146 2411 7577 6552 1957 2514 3149 -2639 -3437 147 558 -3058 -6086 -1959 4845 1499 -2488 6803 2842 6397 6242 1234 218 -2979 -4714 2031 -770 43 -1868 6303 2865 4491 -4794 2104 -4720 -14800 -6423 -4472 -2225 -2388 -1891 771 447 -354 1132 -1890 -269 5038 -59 -5753 -121 4365 -4464 105 3835 5967 7107 5500 1597 -1381 -3126 -1448 3106 850 -7494 -4056 -3555 10991 -181 1687 -8363 3767 6193 -4625 3035 -3936 SS 20231119T124048.6Z 8723.528340 54 1 48.63 2 82.92 122.18 147.18 67.01 0.00 1 0.00 1 0 25 4.163e-01 2.067e-02 9.103e-02 4.750e-03 8.341966e-01 2.551568e-03 9.338344e-03 -6.000000e+00 2.338563e-01 223.54 -2.00 3.47 -2.00 321.83 0.00e+00 7.384545e-03 1.363612e-03 1.816535e-03 -6.000000e+00 1.039816e-02 281.10 -2.00 20.00 -2.00 321.35 0.00e+00 7.461 0.007 302.00 328.00 3 2.7427e-01 9.3875e-03 8.5582e-02 -6.0000e+00 5.7596e-01 7.9657e-01 1.2274e-02 4.4520e-02 -6.0000e+00 6.2675e-01 -1.1286e+00 1.0650e-02 2.4027e-02 -6.0000e+00 3.7429e-01 4.7083e-01 5.0624e-03 9.5723e-03 -6.0000e+00 1.6083e-01 1.1326e-04 -1.9631e-03 1.2428e-04 1.4284e-04 -6.0000e+00 1.1075e-02 8.8284e-03 -1.2136e-04 12 8 8 10 0 0 10.86 20.83 0.75 0.00883 -0.00592 99 23 1 5 0 491.160 25.47 20.00 20.83 10.91 3.7 917.53 -102675 -99039 -107972 -87211 -120809 -129810 -140510 -131311 -103330 -142894 -112186 -150967 -65887 -97873 -39098 -21784 -51745 9557 -23736 42770 -17687 -56313 4140 -61999 17759 -43903 3241 -34642 -19865 -21798 -10990 12898 -8468 22823 41621 -21768 20549 -1268 35271 42507 32542 25954 9019 65993 22859 29229 30175 37987 27754 13573 37173 28697 29836 36217 27955 34707 17635 25793 14408 12517 17129 7081 23202 18042 18971 13624 13721 16916 6460 18050 10963 11514 7340 6720 6388 -737 3971 -2555 -4320 -1953 -2109 2604 -2738 434 -142 145 730 -1469 971 -164 652 -3140 -2047 -4878 -4950 -1887 -3092 -1359 -2439 -1705 -1483 -2296 -2400 -3071 -2880 -3060 -1990 -1507 -1860 -300 -1472 217 239 -338 528 -425 -13 -408 155 330 918 1897 1612 1944 2121 1640 1033 1246 914 605 1169 422 417 322 334 -3 -364 -2 -256 -149 -66 -1223 -1461 -2335 -2544 -3183 -1983 -3307 -3389 -3905 -3428 -2345 -4453 -2806 -5340 -1343 -3582 -1014 -575 -2085 226 -825 773 -574 -2530 98 -2901 387 -1790 81 -1204 -571 -666 -356 406 -388 835 1215 -1109 695 -60 1372 1812 1718 1563 668 2812 1493 1801 1873 2252 1916 1151 2738 2579 2916 3590 3186 3810 2336 3107 1855 1566 2039 1004 3203 3025 3471 2663 2644 3244 1363 3899 2839 3118 2055 1777 1531 -168 872 -604 -1059 -565 -735 1011 -1260 208 -72 78 412 -879 569 -94 350 -1643 -1024 -2595 -2983 -1309 -2578 -1196 -2452 -1774 -1473 -2064 -2093 -2593 -2569 -2685 -1827 -1483 -2039 -373 -2121 312 359 -507 819 -642 -20 -642 238 528 1448 3068 2491 2908 3078 2319 1422 1764 1483 1063 2313 918 897 742 827 -8 -989 -7 -702 -396 -164 -2810 -3422 SS 20231119T125131.0Z 8723.535775 57 1 48.54 2 81.18 124.03 145.32 69.67 0.00 1 0.00 1 0 17 5.642e-01 1.255e-02 5.091e-02 1.981e-03 7.229194e-01 1.043037e-03 8.271758e-03 -6.000000e+00 3.169992e-01 223.54 -2.00 3.47 -2.00 321.24 0.00e+00 5.221507e-03 5.083875e-04 2.562193e-03 -6.000000e+00 1.409455e-02 281.10 -2.00 20.00 -2.00 320.71 0.00e+00 6.168 0.004 302.00 328.00 3 2.5552e-01 3.5405e-03 7.1808e-02 -6.0000e+00 7.8073e-01 2.3432e-01 4.8376e-03 3.9533e-02 -6.0000e+00 8.4954e-01 -3.3823e-01 4.8165e-03 2.2473e-02 -6.0000e+00 5.0734e-01 1.3836e-01 2.2974e-03 8.2986e-03 -6.0000e+00 2.1802e-01 4.6214e-04 -1.1100e-03 5.2668e-05 1.1473e-04 -6.0000e+00 1.5011e-02 8.4872e-03 -1.0532e-04 12 8 8 10 0 0 3.28 20.85 0.53 0.00849 0.00015 219 51 1 5 0 221.600 25.47 20.00 20.85 11.58 3.7 921.29 -200402 -200584 -168316 -166539 -170019 -186201 -190774 -178019 -178961 -165523 -158736 -150445 -116797 -111988 -69223 -53282 -47627 -43260 -37780 -21653 -42848 -36397 -39430 -51223 -15229 -34279 -30521 -44957 -38138 -40245 -13780 -2276 -6118 4154 -12938 -15459 -8183 420 7267 8780 8228 5084 3433 13202 7597 15829 7309 11332 7154 6195 12017 9376 13204 9086 10498 8049 6733 7328 3553 3517 3545 4915 7067 7161 7397 6087 5313 2887 4284 4294 3357 3095 1903 1589 65 -140 -522 -2340 -1889 -1042 -399 -990 -1724 -1745 -1195 -1078 -299 -593 -183 126 166 -342 -1086 -1900 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