File name: Pandora32s1_GreenbeltMD_20230720_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20230722T214454.3Z 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_20230720_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: 20230720 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 20230720T105359.3Z 8601.454159 66 1 48.65 2 80.84 70.78 105.80 53.24 0.00 1 0.00 1 0 17 5.875e-01 2.250e-02 2.453e-01 6.480e-03 7.436003e-01 3.578644e-03 9.023771e-03 -6.000000e+00 3.442345e-01 232.52 -2.00 3.47 -2.00 321.49 0.00e+00 6.404315e-03 1.834692e-03 6.073474e-03 -6.000000e+00 1.536986e-02 290.34 -2.00 20.00 -2.00 320.87 0.00e+00 5.954 0.004 302.00 328.00 3 2.3941e+00 1.2978e-02 7.6361e-02 -6.0000e+00 8.6646e-01 5.1383e-01 1.7277e-02 5.3295e-02 -6.0000e+00 9.3920e-01 -7.6686e-01 1.4757e-02 2.5109e-02 -6.0000e+00 5.5548e-01 3.2293e-01 6.9568e-03 6.2297e-03 -6.0000e+00 2.3337e-01 6.0212e-05 -1.5994e-03 1.7476e-04 1.3898e-04 -6.0000e+00 1.5945e-02 3.0171e-02 2.3670e-05 12 8 8 10 0 0 -16.16 26.68 1.08 0.03017 0.01815 29 7 1 5 0 1677.490 31.10 25.00 26.68 27.18 3.1 1009.94 -13599 -166295 -46419 -53393 -109819 -154702 234675 900000 -130360 -136434 -134516 -174034 -92004 7861 171184 16960 -61923 135029 -12268 900000 -57388 -46986 26346 -49642 116546 -29875 301523 -16966 17937 -14491 147172 -41029 900000 -27077 -12302 -11356 -12657 20248 -1793 62672 15284 52933 36596 116418 35762 87328 51318 92695 29642 17302 9159 50124 37357 31937 20007 13255 8625 10388 14743 14851 18529 16663 13767 6345 2543 763 13736 4076 3149 9670 2160 4660 -1082 6500 1467 -7551 -435 1581 -895 -866 -5215 -534 579 -2012 6145 466 130 36 -1475 1265 2019 -7468 177 -5931 -537 -2108 -2477 247 -2849 -1868 -1051 -2332 -2569 -5053 -1696 -2569 -360 74 -620 -118 -893 1494 -457 515 1627 -174 -890 -517 1590 630 1026 316 2144 2234 1388 276 -382 1187 -157 1971 971 416 -1011 504 -344 256 -234 -1147 461 722 -423 -296 -1736 -101 -6459 -593 -702 -2221 -4397 1482 900000 -3368 -3880 -3788 -7742 -2263 94 1081 278 -2468 853 -350 900000 -2620 -1874 510 -2098 1015 -1122 1904 -539 393 -459 1123 -2384 900000 -1726 -655 -569 -671 897 -118 2603 1119 2883 2433 3659 2464 3710 3146 3927 2402 1673 1052 4353 4000 3884 2879 2098 1459 1713 2258 2203 2693 2675 2572 1439 642 195 3050 1016 864 2848 755 1666 -405 2151 466 -2353 -117 423 -271 -311 -2287 -256 304 -1144 3443 291 85 24 -1019 831 1245 -4735 101 -3670 -352 -1616 -2194 243 -3158 -2099 -1122 -2297 -2320 -4617 -1595 -2581 -372 81 -743 -156 -1317 2302 -728 801 2416 -254 -1310 -789 2508 1038 1680 506 3266 3315 2022 394 -533 1682 -249 3437 1858 847 -2172 1124 -815 630 -588 -2931 1168 1777 -999 -662 -3795 SS 20230720T110443.2Z 8601.461611 71 1 48.90 2 78.86 72.35 104.19 55.20 0.00 1 0.00 1 0 25 4.154e-01 1.015e-02 1.030e-01 2.616e-03 6.561670e-01 1.398619e-03 7.508998e-03 -6.000000e+00 2.408972e-01 232.52 -2.00 3.47 -2.00 320.86 0.00e+00 3.388449e-03 6.191306e-04 2.315275e-03 -6.000000e+00 1.077938e-02 290.34 -2.00 20.00 -2.00 320.17 0.00e+00 4.990 0.002 302.00 328.00 3 1.9811e+00 4.6106e-03 6.1064e-02 -6.0000e+00 6.0405e-01 1.0027e-01 6.1090e-03 3.6602e-02 -6.0000e+00 6.5248e-01 -1.5841e-01 5.6913e-03 1.8889e-02 -6.0000e+00 3.8905e-01 6.0892e-02 2.7743e-03 5.7075e-03 -6.0000e+00 1.6504e-01 2.5938e-04 -6.7416e-04 7.0726e-05 7.6482e-05 -6.0000e+00 1.1085e-02 2.9603e-02 5.5944e-05 12 9 8 11 8 0 1.86 26.71 0.62 0.02960 0.02454 76 18 1 5 0 643.300 31.19 25.02 26.71 27.78 3.1 1013.87 -133361 -175761 -91201 -156134 -107672 -187763 -19768 -100788 -122249 -60036 -159871 -144442 -103208 -42680 37380 -40020 -4523 -33322 -39271 27938 -53922 -30700 -25917 -26895 -11427 -29357 11981 -6425 6221 -40014 -314 -26205 30520 -16164 -22959 -5224 -12525 139 -9614 15501 2988 3464 -3430 5929 9829 10023 2913 18110 3638 2143 617 9208 8287 6860 3206 2341 4926 730 2450 -1507 3233 5791 5164 4271 2406 1962 3252 1524 2354 1990 101 -315 -289 1152 -1136 -1108 -1691 -661 -2462 -756 -1541 -798 -2077 -1434 566 -659 -189 558 -145 1654 1049 -315 -633 -822 -775 -263 294 -113 -400 -934 -869 -951 -1261 -472 -1254 -1148 -755 -446 77 -45 435 362 498 195 544 404 90 314 186 -68 -53 132 716 666 730 -204 12 903 -46 450 41 -13 -434 199 -142 -32 131 -183 88 -98 111 -318 -477 -1237 -3016 -740 -2426 -949 -3527 -73 -958 -1644 -473 -3596 -3082 -1819 -534 269 -761 -69 -757 -1038 402 -1826 -826 -685 -780 -310 -1014 281 -177 149 -1605 -10 -1313 1019 -945 -1406 -260 -723 8 -789 1197 299 343 -385 626 1108 1059 339 2041 455 290 94 1452 1459 1336 691 533 1132 176 565 -354 742 1417 1449 1371 843 683 1089 531 892 809 47 -154 -142 529 -489 -464 -657 -254 -1065 -352 -853 -504 -1469 -997 412 -519 -157 475 -125 1354 810 -230 -475 -629 -612 -240 308 -127 -500 -1193 -1047 -1031 -1337 -494 -1326 -1293 -892 -560 106 -65 692 578 802 305 851 605 136 491 292 -112 -87 209 1152 1038 1094 -296 16 1286 -74 771 78 -24 -873 423 -306 -74 307 -435 208 -226 240 -684 -993 SS 20230720T111040.7Z 8601.465749 74 1 48.43 2 77.75 73.22 103.28 56.27 0.00 1 0.00 1 0 17 3.075e-01 8.350e-03 5.274e-02 1.855e-03 6.085696e-01 9.794234e-04 7.020553e-03 -6.000000e+00 1.783225e-01 232.52 -2.00 3.47 -2.00 320.51 0.00e+00 3.223907e-03 3.866805e-04 1.931794e-03 -6.000000e+00 7.979343e-03 290.34 -2.00 20.00 -2.00 319.77 0.00e+00 4.574 0.002 302.00 328.00 3 1.8257e+00 3.0770e-03 5.6027e-02 -6.0000e+00 4.4714e-01 6.5708e-02 3.9142e-03 3.3315e-02 -6.0000e+00 4.8300e-01 -1.0278e-01 3.4934e-03 1.7019e-02 -6.0000e+00 2.8799e-01 3.6960e-02 1.7489e-03 5.1613e-03 -6.0000e+00 1.2217e-01 4.7041e-04 -6.6214e-04 5.0514e-05 6.4559e-05 -6.0000e+00 8.2054e-03 2.9221e-02 3.8448e-05 11 8 0 10 0 0 28.22 26.73 0.46 0.02922 0.02425 109 26 1 5 0 444.260 31.19 25.00 26.73 28.22 3.1 1016.53 -135399 -117906 -50628 -124881 -78598 -155520 -40652 -88328 -77516 -30086 -107590 -86414 -67180 -40113 13809 -28826 -14410 -30976 720 -1617 -27500 -23605 -11158 -17948 -19849 -6865 -3618 -3231 -12822 -26473 933 -14104 -4824 -7969 -8058 1431 -15483 -2153 -6974 6678 -2035 3754 -1748 3624 7422 2032 4749 6173 564 -329 432 3972 3303 5394 3915 3049 2152 -242 1059 -174 3244 2335 2779 3628 1123 2195 411 1775 2370 1867 1104 1 643 129 -203 -1094 -1467 -1162 -2380 -845 -1626 -1308 -2295 -1619 428 -671 27 213 160 1002 448 738 -919 -3 -25 -357 469 149 -269 -466 -544 -1304 -784 -355 -1563 -1274 -1061 -692 236 538 481 379 191 81 380 231 256 419 133 76 -129 454 677 446 292 50 274 734 199 199 -89 -74 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