File name: Pandora32s1_GreenbeltMD_20231015_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231017T045707.2Z 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_20231015_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: 20231015 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 20231015T114834.1Z 8688.492061 53 1 48.36 2 84.80 105.37 93.95 103.10 0.00 1 0.00 1 0 25 2.773e-01 3.509e-02 1.508e-01 1.939e-02 9.600299e-01 1.090473e-02 1.081937e-02 -6.000000e+00 1.577060e-01 226.21 -2.00 3.47 -2.00 321.87 0.00e+00 -9.386202e-03 3.652557e-03 3.718711e-03 -6.000000e+00 7.052859e-03 285.24 -2.00 20.00 -2.00 321.27 0.00e+00 9.535 0.015 302.00 328.00 3 -6.4989e-03 3.5157e-02 1.1018e-01 -6.0000e+00 3.9021e-01 1.8970e+00 4.1006e-02 6.3858e-02 -6.0000e+00 4.2323e-01 -2.2494e+00 2.3444e-02 2.3995e-02 -6.0000e+00 2.5289e-01 8.4308e-01 1.3499e-02 1.2429e-02 -6.0000e+00 1.0870e-01 1.5918e-05 -1.1790e-03 4.9999e-04 1.2693e-04 -6.0000e+00 7.3806e-03 -9.2977e-04 1.3118e-05 12 8 8 10 0 0 -0.72 21.15 1.83 -0.00093 -0.00979 30 7 1 5 0 1611.980 25.79 20.00 21.15 13.06 3.7 929.07 96180 49441 42831 35771 13148 -56819 -2689 -1218 -8121 18639 -16913 -45390 56730 8275 65118 28667 -5386 49372 6322 101708 -14005 -13833 41314 -49780 42337 -2454 79129 -26606 28837 -47520 -59221 -8403 -8560 35363 -21800 -28892 -17490 -13867 -15531 21999 87859 47798 10124 64566 46765 40172 43165 10883 168 -38433 10371 7818 40318 31381 28959 25099 -1540 23142 6427 29754 -3765 -23930 18155 -10548 29272 46840 23763 26444 4584 48098 2604 16722 11069 16456 -12560 -19040 204 -17036 -12945 -19947 -3178 7301 -5782 2026 15008 14108 17366 4904 4641 -1305 8697 -10064 -1731 -7515 -5208 600 -3273 1315 2888 -1293 416 -7218 -9706 -8312 -2367 -7389 1746 1339 -2029 301 -2239 2606 631 631 4028 -4574 -164 -2007 1910 1339 -763 1311 1075 2958 2724 2973 3138 -2905 459 590 1308 -3141 -1384 186 1360 1028 -347 -615 -130 1284 -662 -882 -283 6118 5185 4492 3444 1243 -8791 -227 -105 -782 1378 -1715 -6008 2926 782 3918 2711 -741 3904 750 4371 -1758 -1546 2486 -7702 2766 -253 3401 -2882 1690 -5065 -7636 -751 -854 2608 -2399 -3333 -1753 -1469 -1968 2246 5150 4339 1321 4640 3714 3191 3183 1091 19 -6686 1196 1020 4117 3739 3724 3465 -282 3238 984 3263 -541 -4299 2369 -2074 4207 5669 3550 3950 928 7185 680 3953 2721 3548 -3206 -4501 36 -3544 -2864 -5658 -913 2209 -2252 785 5392 5389 6699 2198 2071 -595 3355 -4396 -678 -3255 -2512 324 -2185 982 2408 -1178 358 -6019 -7324 -5879 -1660 -5841 1331 1104 -1930 326 -2629 3271 855 864 5200 -6235 -214 -2774 2690 1977 -1139 1821 1419 3732 3703 3930 4023 -4093 655 1000 2530 -7024 -3283 471 3679 2975 -1046 -1882 -394 3711 -1809 -2210 -662 SS 20231015T120042.9Z 8688.500496 56 1 48.57 2 82.54 107.36 91.76 104.98 0.00 1 0.00 1 0 25 4.782e-01 1.870e-02 8.563e-02 3.634e-03 8.152862e-01 1.987372e-03 9.668367e-03 -6.000000e+00 2.719488e-01 226.21 -2.00 3.47 -2.00 321.68 0.00e+00 1.005581e-02 1.063732e-03 4.745954e-03 -6.000000e+00 1.216237e-02 285.24 -2.00 20.00 -2.00 321.16 0.00e+00 7.131 0.006 302.00 328.00 3 1.4370e-01 7.2672e-03 8.3959e-02 -6.0000e+00 6.7287e-01 6.5700e-01 9.7968e-03 4.6864e-02 -6.0000e+00 7.2982e-01 -8.8662e-01 8.8175e-03 2.7646e-02 -6.0000e+00 4.3609e-01 3.6423e-01 4.1481e-03 1.1431e-02 -6.0000e+00 1.8743e-01 1.7524e-04 -1.3346e-03 9.4598e-05 1.9585e-04 -6.0000e+00 1.2728e-02 -1.2654e-03 -4.0076e-06 12 8 8 10 0 0 0.53 21.15 0.59 -0.00127 -0.01129 127 30 1 5 0 382.390 25.79 20.00 21.15 13.60 3.6 932.48 -155892 -95724 -160310 -98323 -156756 -159076 -135431 -180391 -114029 -182768 -127670 -151332 -65897 -58640 -80431 6621 -71786 -10159 -28098 -6144 -38394 -57700 26754 -58905 -5101 -36581 -14661 -19310 -62815 -31177 -41838 -11466 18228 21957 17835 -32773 9173 5752 11583 25446 21049 43004 -8290 42572 20020 21703 29335 22987 27421 5261 29609 25633 25091 30291 18450 26735 19937 18896 11137 8906 19740 3526 20137 12414 16100 12427 11304 13593 5358 13817 6146 8207 7112 4902 5742 -4105 1608 -4067 -3173 1919 -2479 1000 -2872 175 -524 -1350 1049 -1539 1278 -1001 168 -855 -2546 -2176 -4657 -2129 -2638 -985 -943 -1583 -1003 -2359 -2009 -2155 -2171 -2409 -1880 -1571 -1809 -388 -398 -78 491 -293 501 -527 -27 341 124 547 553 1864 1817 1979 1579 997 1039 602 973 254 1000 155 64 326 -48 176 -206 -223 123 -207 -206 -945 -1125 -3164 -1425 -4493 -1603 -3687 -3721 -2400 -4708 -1778 -5829 -2353 -3754 -864 -956 -2138 92 -2519 -212 -757 -137 -1184 -2065 398 -2108 -110 -1102 -353 -472 -2315 -884 -1572 -398 562 724 600 -1707 319 232 525 1190 1164 2057 -696 2218 1320 1431 1840 1597 1924 492 2392 2426 2641 3285 2393 3297 2685 2319 1563 1228 2449 504 2796 2156 2988 2438 2211 2658 1234 3361 1814 2509 2195 1461 1541 -1080 366 -979 -842 584 -950 432 -1454 92 -295 -747 598 -934 760 -593 101 -487 -1418 -1235 -2786 -1469 -2172 -935 -1015 -1795 -1086 -2334 -1757 -1804 -1917 -2285 -1874 -1676 -2136 -478 -561 -121 786 -470 767 -783 -39 520 202 926 935 2981 2766 2917 2266 1394 1403 833 1519 466 1916 326 143 728 -116 451 -542 -596 329 -538 -499 -2137 -2574 SS 20231015T121127.8Z 8688.507961 59 1 48.62 2 80.56 109.15 89.84 106.65 0.00 1 0.00 1 0 17 5.219e-01 1.136e-02 4.065e-02 1.557e-03 7.028286e-01 8.234389e-04 8.105201e-03 -6.000000e+00 2.967555e-01 226.21 -2.00 3.47 -2.00 321.04 0.00e+00 3.766053e-03 3.840257e-04 2.792597e-03 -6.000000e+00 1.327191e-02 285.24 -2.00 20.00 -2.00 320.45 0.00e+00 5.802 0.003 302.00 328.00 3 1.8571e-01 2.7346e-03 6.8642e-02 -6.0000e+00 7.3425e-01 1.8600e-01 3.6995e-03 3.9419e-02 -6.0000e+00 7.9639e-01 -2.5595e-01 3.5836e-03 2.1302e-02 -6.0000e+00 4.7587e-01 1.0330e-01 1.7268e-03 6.8845e-03 -6.0000e+00 2.0453e-01 7.0253e-04 -7.0034e-04 4.1234e-05 9.4860e-05 -6.0000e+00 1.3889e-02 -1.6374e-03 -1.7103e-05 12 8 8 10 0 0 -1.70 21.17 0.42 -0.00164 -0.00690 270 63 1 5 0 180.050 25.79 19.98 21.17 14.29 3.6 935.87 -195638 -179336 -154598 -124471 -174408 -173986 -191665 -164575 -152587 -156207 -126451 -149139 -100953 -111293 -71968 -47735 -56459 -29986 -48229 -21707 -34559 -35284 -26231 -45769 -15642 -37047 -25652 -39103 -35802 -25502 -25440 -8368 -9666 -558 -6718 -8373 314 -6317 3856 960 9026 9017 1554 9984 5448 10135 5886 6036 6772 2984 8808 5955 9746 7431 7175 8033 5106 5982 2765 3263 4780 4044 6693 5896 5893 2914 4240 1729 2309 4122 2080 2433 575 1058 615 -878 -523 -2465 -2212 -1112 -1259 -979 -2424 -1913 -1638 -1061 -548 -69 440 284 444 -342 -1294 -1317 -945 -577 -465 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