File name: Pandora32s1_GreenbeltMD_20241121_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241122T050755.9Z 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 v1.8.60 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20241121_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: 20241121 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 20241121T123159.2Z 9091.522213 272 1 48.08 2 84.93 121.03 36.39 250.60 0.00 1 0.00 1 0 25 4.074e-01 4.488e-02 2.315e-01 2.744e-02 9.782835e-01 1.503059e-02 1.100635e-02 -6.000000e+00 2.289664e-01 223.49 -2.00 3.47 -2.00 321.67 0.00e+00 -1.124984e-02 4.479696e-03 4.448164e-03 -6.000000e+00 1.021064e-02 280.78 -2.00 20.00 -2.00 321.12 0.00e+00 9.725 0.016 302.00 328.00 3 2.7325e-01 4.7044e-02 1.1338e-01 -6.0000e+00 5.6389e-01 2.0001e+00 5.4281e-02 6.9552e-02 -6.0000e+00 6.1390e-01 -2.3884e+00 2.9719e-02 2.3788e-02 -6.0000e+00 3.6629e-01 9.0765e-01 1.7965e-02 1.4831e-02 -6.0000e+00 1.5737e-01 9.9058e-06 -8.7881e-04 6.8273e-04 1.5654e-04 -6.0000e+00 1.0840e-02 7.2659e-03 -1.8998e-04 12 8 8 10 0 0 -21.45 20.02 2.82 0.00727 0.00066 21 5 1 5 0 2289.000 25.17 20.96 20.02 9.00 5.2 914.41 243187 40981 36064 15841 27866 -41874 -11858 -7794 -4008 37916 -5249 -8848 39196 -20991 68949 9829 -12275 -1583 -8543 212490 35865 -19616 53085 -32485 56064 -7921 55640 7892 -37261 -80101 47145 -47801 27788 24125 -54777 -37896 -41466 8189 -475 -13885 71653 10343 900000 61469 63581 98874 19064 62361 34256 64236 -12454 25842 97992 42033 54529 15386 51432 24306 19435 38862 24618 -22498 -5651 -2733 6263 59938 27746 39116 11256 57532 39617 10156 10641 36010 -18417 -17335 14442 -11332 -25368 -29170 9741 11265 4416 6012 18099 7185 20882 2964 9179 -12472 -240 39134 4944 -19509 2148 2745 571 10549 2180 147 -2341 -6431 -19158 -12092 -6344 -5194 -3415 1506 -297 -282 -1571 1689 -496 -2596 7667 275 1259 -2387 2337 -2123 -346 2435 4082 2011 1675 52 -772 -107 -536 3720 403 -869 -1482 -316 1408 -295 -542 -2481 793 911 963 202 -717 6506 6777 5701 2543 3050 -7536 -1500 -986 -507 3135 -638 -1097 3241 -3523 5198 1434 -2269 -258 -1434 5685 3227 -2719 3357 -5056 3818 -1021 3518 691 -4350 -13442 2408 -7208 2163 1995 -9059 -4700 -5244 697 -52 -2026 4879 1333 900000 4769 4422 4497 1836 3837 2841 4124 -1866 2904 5767 4610 5543 2387 5641 3381 2600 3847 2634 -3972 -937 -497 1123 6254 3934 5128 2138 7850 7101 2527 2562 6166 -4779 -3849 2125 -2183 -6312 -9052 2450 3255 1536 2203 6198 2883 7598 1316 3782 -6106 -97 10050 1759 -9394 959 1454 366 7168 1814 129 -2011 -5127 -15325 -8670 -4549 -3932 -2686 1221 -276 -307 -2013 2128 -673 -3624 10358 388 1765 -3298 3256 -3206 -503 3583 5613 2755 2249 69 -1008 -146 -855 6143 788 -1897 -3513 -803 3800 -859 -1620 -7628 2346 2578 2509 484 -1632 SS 20241121T124436.4Z 9091.530977 275 1 48.54 2 82.85 123.15 38.70 253.45 0.00 1 0.00 1 0 25 4.176e-01 2.069e-02 1.007e-01 5.161e-03 8.516415e-01 2.791726e-03 9.662404e-03 -6.000000e+00 2.345074e-01 223.49 -2.00 3.47 -2.00 321.85 0.00e+00 8.470526e-03 1.497581e-03 2.335079e-03 -6.000000e+00 1.041541e-02 280.78 -2.00 20.00 -2.00 321.38 0.00e+00 7.402 0.007 302.00 328.00 3 4.4359e-01 1.0284e-02 8.5724e-02 -6.0000e+00 5.7757e-01 8.3044e-01 1.3500e-02 4.5706e-02 -6.0000e+00 6.2859e-01 -1.1670e+00 1.1824e-02 2.5184e-02 -6.0000e+00 3.7533e-01 4.8429e-01 5.6066e-03 1.0632e-02 -6.0000e+00 1.6123e-01 9.8015e-05 -1.9319e-03 1.3393e-04 1.6779e-04 -6.0000e+00 1.1111e-02 7.1608e-03 -2.2424e-04 12 8 8 10 0 0 22.82 20.02 0.85 0.00716 -0.00736 86 20 1 5 0 564.360 25.17 19.12 20.02 9.15 5.3 916.37 -54525 -102863 -94589 -107107 -125796 -165578 -116395 -150263 -130179 -123658 -140416 -127870 -101233 -68269 -48988 -18073 -9602 -38811 -17460 31404 2281 -26793 -8190 -46345 -13181 -29078 -26400 -15982 -36808 -44831 -20125 -7129 33550 30707 4593 14337 11298 24235 13778 31972 42060 54108 7081 36828 30201 29161 22858 35433 26204 10762 17502 37437 33334 48518 30770 30352 28237 14583 17851 16044 19852 14722 13594 14546 13437 18070 14201 16592 11971 11421 12758 7829 11434 8059 3258 -597 -1297 -4730 -5407 1478 566 1756 -1434 -799 -728 1357 2256 806 48 -243 -717 1639 -2359 -4767 -3951 -3608 -3218 -1188 -1748 -2251 -983 -2861 -3523 -2428 -3520 -3355 -2125 -2491 -1327 -972 -827 -104 94 -400 80 -284 -614 -61 167 1103 781 1791 2738 1645 2205 1734 872 1614 532 1021 726 564 368 265 -29 -116 -54 71 38 -263 -343 -606 -1945 -748 -2683 -2380 -2891 -3511 -5985 -2695 -4538 -3669 -3299 -4382 -3733 -2802 -1787 -1356 -446 -246 -1445 -554 616 59 -863 -210 -1773 -371 -966 -837 -434 -1186 -1647 -689 -265 979 1005 187 491 404 854 638 1448 1926 2342 510 2002 1748 1717 1461 2069 1767 905 1515 2977 3037 4102 3283 3345 3226 1879 2120 1849 2198 1852 1984 2431 2502 3256 2630 3090 2549 2811 3140 2124 2961 2021 849 -143 -288 -1100 -1426 441 187 668 -633 -376 -363 702 1216 456 27 -135 -377 789 -1145 -2458 -2296 -2486 -2628 -1023 -1711 -2307 -951 -2755 -3029 -1984 -3076 -3133 -2073 -2410 -1411 -1188 -1160 -160 149 -639 122 -421 -912 -94 273 1864 1311 2840 4093 2416 3128 2398 1177 2236 853 1763 1425 1211 845 606 -72 -303 -144 191 104 -688 -835 -1469 -4505 SS 20241121T125527.2Z 9091.538509 278 1 48.53 2 81.11 125.02 40.71 255.72 0.00 1 0.00 1 0 25 5.825e-01 1.381e-02 5.577e-02 2.150e-03 7.436488e-01 1.137911e-03 8.460480e-03 -6.000000e+00 3.272891e-01 223.49 -2.00 3.47 -2.00 321.28 0.00e+00 5.253157e-03 5.576665e-04 2.514774e-03 -6.000000e+00 1.453366e-02 280.78 -2.00 20.00 -2.00 320.77 0.00e+00 6.125 0.004 302.00 328.00 3 4.2497e-01 3.8613e-03 7.1961e-02 -6.0000e+00 8.0609e-01 2.6575e-01 5.2897e-03 4.0356e-02 -6.0000e+00 8.7715e-01 -3.8716e-01 5.2774e-03 2.2943e-02 -6.0000e+00 5.2374e-01 1.5913e-01 2.5139e-03 8.5581e-03 -6.0000e+00 2.2509e-01 3.9484e-04 -1.0822e-03 5.6450e-05 1.1479e-04 -6.0000e+00 1.5498e-02 4.8649e-03 -1.8942e-04 12 8 8 10 0 0 -13.23 20.17 0.54 0.00486 -0.00327 190 45 1 5 0 255.400 25.28 20.99 20.17 9.69 5.3 919.28 -172411 -190002 -174793 -175924 -190237 -201079 -203286 -187283 -164461 -173110 -168686 -166952 -116853 -124487 -48044 -71054 -78752 -47673 -52575 6815 -44579 -39545 -43978 -55593 -2397 -39432 -21864 -36859 -46025 -35689 -24653 -17862 -10439 338 -10327 -12739 -8367 -3426 -783 5630 11309 15999 5592 15399 12137 16528 8135 13933 12847 6808 10690 12697 15533 14078 10768 11462 9368 7767 5605 3956 6369 5416 7961 7010 7727 5872 6919 3633 4180 5658 3347 4399 2848 2238 975 -1986 -1167 -2680 -2394 -905 -751 -520 -2444 -1911 -1480 -856 -119 -300 184 199 -11 34 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