File name: Pandora32s1_GreenbeltMD_20231012_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231013T123334.8Z 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_20231012_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: 20231012 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 20231012T114612.1Z 8685.490418 104 1 49.98 2 84.65 104.02 60.71 109.79 0.00 1 0.00 1 0 25 4.081e-01 6.207e-02 1.972e-01 3.115e-02 8.831547e-01 1.681604e-02 9.803240e-03 -6.000000e+00 2.320041e-01 226.52 -2.00 3.47 -2.00 320.80 0.00e+00 -2.164902e-02 3.587603e-03 5.378870e-03 -6.000000e+00 1.043699e-02 285.60 -2.00 20.00 -2.00 319.98 0.00e+00 9.333 0.014 302.00 328.00 3 8.9761e-01 4.8338e-02 1.1271e-01 -6.0000e+00 5.7432e-01 1.9649e+00 5.6089e-02 8.5817e-02 -6.0000e+00 6.2342e-01 -2.1128e+00 3.0992e-02 2.1060e-02 -6.0000e+00 3.7221e-01 7.3527e-01 1.6990e-02 2.3587e-02 -6.0000e+00 1.5959e-01 8.2402e-06 6.4335e-04 7.9611e-04 2.5250e-04 -6.0000e+00 1.0867e-02 1.0115e-02 -1.1396e-04 12 8 8 10 0 0 -27.63 21.28 2.57 0.01012 0.01495 14 3 1 5 0 3569.210 25.90 19.98 21.28 15.80 3.6 944.28 232524 45272 40919 14891 -5316 -43900 12477 -384 28665 60892 -30737 -8851 70003 2569 129148 2442 10657 30161 10240 149666 -9061 -5123 151448 32866 65053 8514 103100 16900 10261 -87048 35683 -30094 12186 -99 -36697 -57213 -54690 -22065 6700 38380 37327 46911 900000 85325 55273 60380 35084 42124 8350 63619 368 36764 34059 21674 25614 22569 36 -10179 -3407 -15728 4471 -17111 -16358 3287 -26138 -5868 8302 18106 -5790 133656 -258 15803 3893 24056 7133 -20699 -1065 -2637 -20114 -17613 1306 21983 8527 5705 18176 9182 34007 -3019 4065 -1917 -11500 1048 -1330 -11457 16800 13523 6815 11506 9490 361 564 -15750 -14981 -3592 -1929 -9720 102 1018 1421 -2536 -1463 1616 -3507 -1269 4813 -3568 -31 -158 6089 -1756 7676 959 8389 1964 2248 -3083 -3717 -1299 -1045 2445 -314 -6154 -2355 -1066 1592 1239 596 -5146 3920 3554 -1784 1846 -583 7062 8750 7457 2919 -998 -10425 1723 -68 4195 6725 -8317 -1882 6958 525 7845 546 2177 4914 1951 6612 -1801 -891 5436 4265 6826 1622 7117 2333 1247 -25237 3153 -5650 1615 -15 -7296 -12638 -11930 -3960 1092 5405 5875 6865 900000 8293 6547 6235 4369 4734 1319 5990 70 5360 5483 4213 5057 4799 10 -2999 -859 -4013 869 -4210 -4372 799 -8971 -1604 1916 3905 -1741 11367 -92 4944 1336 6211 1928 -6413 -246 -617 -6170 -6206 448 7078 3497 2564 7619 4434 13324 -1742 2148 -1025 -6287 474 -602 -6020 7552 7352 4616 8562 7985 340 500 -14686 -12422 -2608 -1470 -8532 85 909 1407 -3012 -1969 2317 -4997 -1935 6667 -5191 -43 -232 8895 -2880 11284 1436 11161 2720 3025 -4252 -5013 -1795 -1663 4397 -597 -13525 -5346 -2582 4063 3371 1674 -15504 10748 9393 -4617 4251 -1313 SS 20231012T115833.8Z 8685.499002 107 1 48.77 2 82.34 106.04 58.54 112.23 0.00 1 0.00 1 0 17 4.371e-01 1.951e-02 9.825e-02 5.081e-03 7.622814e-01 2.731658e-03 8.732549e-03 -6.000000e+00 2.483666e-01 226.52 -2.00 3.47 -2.00 321.67 0.00e+00 4.913299e-03 1.452306e-03 3.948813e-03 -6.000000e+00 1.112677e-02 285.59 -2.00 20.00 -2.00 321.12 0.00e+00 6.968 0.006 302.00 328.00 3 9.9007e-01 1.0112e-02 8.1365e-02 -6.0000e+00 6.1487e-01 5.7381e-01 1.3317e-02 4.5639e-02 -6.0000e+00 6.6715e-01 -8.6590e-01 1.1361e-02 2.3339e-02 -6.0000e+00 3.9860e-01 3.6342e-01 5.3608e-03 6.9511e-03 -6.0000e+00 1.7094e-01 9.8731e-05 -1.4941e-03 1.3708e-04 1.2619e-04 -6.0000e+00 1.1639e-02 8.2816e-03 -1.3858e-04 12 8 8 10 0 0 29.01 21.29 0.80 0.00828 -0.00295 73 17 1 5 0 668.040 25.90 20.00 21.29 16.13 3.6 946.55 -96375 -117042 -116960 -132938 -139618 -162285 -131240 -163298 -93484 -121491 -146457 -165875 -97294 -89860 -36780 -22570 -29414 -12286 -35474 26 -24504 -22256 13251 -43169 -2361 -23986 3881 -4359 -28813 2455 -12973 -366 13971 990 4440 -5413 10715 3131 9782 46470 28762 48206 12458 36196 24920 27093 34546 27937 21252 12924 18201 24642 28588 23254 21139 20064 14684 15726 15205 10129 12420 8452 14892 11114 11663 10742 13978 12741 7369 10193 5593 5557 5675 6082 4590 -2002 -569 -3727 -5822 -1884 -1506 2358 -3312 -1180 110 -783 1656 91 853 -741 -814 -1299 -2418 -3560 -3491 -3271 -3552 -1011 -1588 -1894 -1171 -2629 -1828 -2896 -3535 -2351 -2082 -926 -1394 -23 -504 -99 405 -239 1401 -351 -770 -284 896 219 1141 1758 1526 1787 849 1466 1206 1132 1020 511 926 43 476 176 189 93 80 -144 -435 -179 -707 -721 -977 -1563 -2742 -2898 -3713 -3648 -4752 -3057 -5076 -1714 -3070 -4790 -6352 -2507 -2761 -838 -537 -845 -323 -1248 1 -789 -673 276 -1647 -63 -820 100 -117 -942 61 -437 -13 512 45 189 -239 414 149 524 2049 1710 2532 975 2278 1754 1880 2260 2007 1706 1198 1759 2503 3074 2858 2818 2804 2219 2338 2185 1471 1766 1349 2539 2253 2333 2178 2958 2791 1686 2613 1681 1762 1792 1808 1261 -523 -148 -1001 -1610 -600 -571 1000 -1663 -622 61 -466 1016 59 550 -473 -489 -735 -1328 -2025 -2225 -2446 -2876 -929 -1649 -2046 -1200 -2463 -1523 -2586 -3099 -2184 -2039 -963 -1605 -29 -744 -147 616 -361 2164 -530 -1163 -445 1364 352 1817 2677 2414 2739 1273 2116 1684 1624 1657 891 1806 91 1072 393 454 237 209 -384 -1167 -464 -1727 -1636 -2272 SS 20231012T121716.6Z 8685.511997 112 1 48.51 2 78.87 109.17 55.34 116.13 0.00 1 0.00 1 0 17 2.984e-01 7.420e-03 4.404e-02 1.889e-03 5.908276e-01 9.851503e-04 6.790063e-03 -6.000000e+00 1.696214e-01 226.51 -2.00 3.47 -2.00 320.54 0.00e+00 2.549284e-03 3.906518e-04 1.063991e-03 -6.000000e+00 7.598703e-03 285.59 -2.00 20.00 -2.00 319.90 0.00e+00 4.999 0.002 302.00 328.00 3 1.4857e+00 3.0594e-03 5.8003e-02 -6.0000e+00 4.1992e-01 7.0779e-02 3.8988e-03 3.0949e-02 -6.0000e+00 4.5560e-01 -1.1193e-01 3.5707e-03 1.6147e-02 -6.0000e+00 2.7221e-01 4.0934e-02 1.7864e-03 5.3410e-03 -6.0000e+00 1.1675e-01 4.6828e-04 -6.2569e-04 5.1984e-05 6.4656e-05 -6.0000e+00 7.9470e-03 8.2916e-03 -9.2876e-05 11 8 0 10 0 0 99.97 21.35 0.42 0.00829 0.00359 141 33 1 5 0 344.000 25.90 20.00 21.35 18.02 3.6 957.69 -94449 -101959 -86960 -105173 -113436 -114408 -109777 -87042 -88073 -78758 -82816 -81101 -32250 -53342 -32438 -27593 -27542 -18304 -20611 -7759 -23465 -14047 -9652 -21067 -7541 -14086 935 -16885 -16661 -13884 -14012 -2424 1270 1235 -8723 -1280 -7662 -586 -313 3485 3119 3853 -1832 2278 3023 6131 1167 5058 592 1029 3735 3986 5146 3108 3666 1836 1918 1117 1200 609 1581 2770 3589 2640 2512 926 1160 481 1276 1224 480 791 383 402 -722 -385 -1570 -2452 -1653 -1855 -947 -846 -2022 -1794 -846 -311 16 239 163 653 811 283 -78 -251 -186 126 -84 462 166 -333 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