File name: Pandora32s1_GreenbeltMD_20241027_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241028T045508.1Z 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_20241027_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: 20241027 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 20241027T120343.2Z 9066.502584 193 1 48.48 2 84.63 111.58 35.68 139.91 0.00 1 0.00 1 0 17 3.408e-01 3.743e-02 1.973e-01 2.189e-02 9.315092e-01 1.201847e-02 1.066592e-02 -6.000000e+00 1.925179e-01 225.11 -2.00 3.47 -2.00 321.88 0.00e+00 -2.511373e-02 3.823532e-03 5.303760e-03 -6.000000e+00 8.603274e-03 283.69 -2.00 20.00 -2.00 321.27 0.00e+00 9.310 0.014 302.00 328.00 3 6.1028e-01 3.8548e-02 1.1671e-01 -6.0000e+00 4.7539e-01 1.6353e+00 4.5483e-02 9.6007e-02 -6.0000e+00 5.1665e-01 -2.2039e+00 2.5467e-02 2.3312e-02 -6.0000e+00 3.0865e-01 8.7071e-01 1.4718e-02 2.4560e-02 -6.0000e+00 1.3240e-01 1.3212e-05 5.8468e-05 5.7035e-04 2.7154e-04 -6.0000e+00 9.0755e-03 1.2356e-02 -1.8255e-04 12 8 8 10 0 0 51.34 20.28 2.32 0.01236 0.01280 25 6 1 5 0 1938.890 25.39 19.84 20.28 11.62 5.2 930.56 39352 26264 4745 20792 -11977 -37206 -5619 -25337 -9108 22107 -1840 -47232 32071 33111 52527 38338 -1829 -540 38653 117086 -3360 -8748 18525 -33457 30940 10524 30652 -2333 5425 -94204 55420 -25293 -759 61531 -10649 17039 25487 9863 -33914 59272 79293 85347 135926 145572 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-3878 -2150 5499 1072 -3171 -1038 682 -1158 1603 4720 -4601 -7068 -3276 -8732 -5780 -5344 -1798 -584 -1786 -3876 923 -1258 2082 410 1428 3571 -663 -1635 1282 2490 -4399 492 3852 5275 3064 5672 415 -1619 1024 -395 4776 2508 -1668 -8043 -427 4046 -1962 1479 -3670 6279 169 -1172 10 -4359 SS 20241027T121641.3Z 9066.511589 196 1 48.82 2 82.31 113.73 34.21 144.76 0.00 1 0.00 1 0 17 5.024e-01 1.983e-02 9.943e-02 4.031e-03 8.075542e-01 2.190321e-03 9.377901e-03 -6.000000e+00 2.837560e-01 225.11 -2.00 3.47 -2.00 321.67 0.00e+00 5.793566e-03 1.168808e-03 4.605435e-03 -6.000000e+00 1.268023e-02 283.68 -2.00 20.00 -2.00 321.16 0.00e+00 6.949 0.006 302.00 328.00 3 5.5652e-01 7.9802e-03 8.2823e-02 -6.0000e+00 7.0069e-01 5.7603e-01 1.0837e-02 4.9085e-02 -6.0000e+00 7.6150e-01 -8.4577e-01 9.8319e-03 2.6193e-02 -6.0000e+00 4.5493e-01 3.5390e-01 4.5891e-03 8.2988e-03 -6.0000e+00 1.9515e-01 1.4606e-04 -1.4273e-03 1.0552e-04 1.5130e-04 -6.0000e+00 1.3377e-02 1.1827e-02 -2.0702e-04 12 8 8 10 0 0 65.62 20.36 0.75 0.01183 0.00110 106 25 1 5 0 460.500 25.39 21.06 20.36 12.28 5.3 935.08 -121622 -161869 -115011 -163621 -117851 -178366 -166142 -79322 -189156 -122550 -173399 -164142 -74232 -121598 4649 -84428 -37043 -45961 -24564 -4631 -60093 11884 -59861 -40382 -28052 -33383 20966 -56814 -6727 -67845 30195 -6745 -6703 35476 -16110 20655 -14099 18547 12109 3988 53502 14581 25942 32035 32912 46398 18875 48551 20767 25080 24128 27635 35881 25910 33103 17983 25775 21300 14811 18912 14211 18305 14527 15626 16228 9189 16797 7768 7934 11089 7543 9345 4285 6522 -1726 1433 -2727 -3699 -1455 -3122 1739 -1887 -1891 -459 -344 122 -982 812 -576 529 -1136 -540 -1972 -4759 -2662 -2369 -2605 -1245 -1466 -804 -2646 -1585 -2901 -2165 -2375 -3123 -605 -2405 -538 -554 -195 516 -420 509 268 266 -392 -402 801 102 1599 1350 2006 1756 1149 1286 -67 1742 46 856 759 711 330 -80 134 -107 -177 -224 -236 11 -383 -533 -1216 -1695 -3992 -1891 -4210 -1853 -4207 -3444 -811 -5679 -2168 -4710 -4840 -1109 -3824 53 -2854 -888 -1319 -608 -96 -2173 201 -2047 -1191 -772 -997 363 -2055 -143 -2801 558 -223 -261 990 -728 609 -610 664 557 237 2187 946 1571 1864 1902 2371 1299 2577 1535 1903 2049 2553 3371 2923 3696 2425 3293 2822 2009 2364 1872 2511 2376 2647 2993 1833 3067 1602 1792 2802 2205 2822 1351 1890 -492 352 -644 -894 -386 -1017 648 -848 -952 -244 -194 73 -625 525 -379 334 -686 -304 -1089 -2798 -1736 -1670 -2177 -1197 -1586 -894 -2854 -1516 -2511 -1808 -2114 -2994 -598 -2606 -634 -692 -276 795 -675 802 406 388 -575 -616 1288 172 2640 2137 3011 2567 1638 1774 -91 2394 74 1575 1461 1487 737 -192 321 -272 -464 -594 -625 28 -913 -1261 -2753 SS 20241027T122742.0Z 9066.519236 199 1 48.54 2 80.37 115.60 33.10 149.15 0.00 1 0.00 1 0 25 5.305e-01 1.094e-02 4.657e-02 1.747e-03 6.984246e-01 9.217833e-04 8.037583e-03 -6.000000e+00 2.996987e-01 225.11 -2.00 3.47 -2.00 321.06 0.00e+00 4.573273e-03 4.298920e-04 2.456810e-03 -6.000000e+00 1.339224e-02 283.68 -2.00 20.00 -2.00 320.49 0.00e+00 5.699 0.003 302.00 328.00 3 5.0587e-01 3.0595e-03 6.7273e-02 -6.0000e+00 7.4006e-01 1.5367e-01 4.1420e-03 3.8097e-02 -6.0000e+00 8.0424e-01 -2.3116e-01 4.0834e-03 2.1183e-02 -6.0000e+00 4.8047e-01 9.2282e-02 1.9657e-03 7.5156e-03 -6.0000e+00 2.0614e-01 5.7389e-04 -8.5579e-04 4.6564e-05 1.0363e-04 -6.0000e+00 1.4126e-02 1.0742e-02 -2.0878e-04 12 8 8 10 0 0 89.42 20.43 0.46 0.01074 0.00431 232 54 1 5 0 209.210 25.47 19.28 20.43 12.99 5.2 937.96 -201440 -182349 -161285 -165782 -170509 -191102 -150943 -157404 -153563 -143799 -152090 -146879 -120698 -100484 -69565 -55934 -50654 -56919 -37216 -28843 -36719 -36353 -26771 -36699 -33216 -37106 -19569 -31580 -28244 -33687 -22168 -15954 -4328 -4723 -3192 -10894 -8385 -2246 -2016 127 5091 10148 3142 9764 4794 9530 7059 6922 5457 3921 6630 7676 9585 9815 7920 5313 5567 4704 2880 2512 3010 4378 6291 4973 5596 3359 4078 2274 2925 2817 2542 2385 1202 1026 -541 -821 -2062 -2245 -1189 -1318 -884 -1584 -2244 -2205 -993 -1143 -184 26 27 468 154 382 -996 -1302 -880 -680 -545 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