File name: Pandora32s1_GreenbeltMD_20240614_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240619T002111.2Z 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 v1.8.59 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20240614_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: 20240614 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 20240614T102717.6Z 8931.435620 69 1 48.62 2 82.92 65.67 136.87 339.69 0.00 1 0.00 1 0 25 5.433e-01 2.918e-02 2.933e-01 1.775e-02 8.599229e-01 1.010243e-02 9.509955e-03 -6.000000e+00 3.181176e-01 232.82 -2.00 3.47 -2.00 321.93 0.00e+00 -7.674383e-03 4.718870e-03 3.178884e-03 -6.000000e+00 1.505152e-02 287.39 -2.00 20.00 -2.00 321.36 0.00e+00 7.444 0.007 302.00 328.00 3 2.1994e+00 3.6606e-02 9.0017e-02 -6.0000e+00 7.9823e-01 1.2283e+00 4.3808e-02 5.7190e-02 -6.0000e+00 8.6314e-01 -1.7911e+00 2.7983e-02 2.2458e-02 -6.0000e+00 5.1334e-01 7.3688e-01 1.4516e-02 1.0414e-02 -6.0000e+00 2.1699e-01 1.5902e-05 -9.3951e-05 4.8130e-04 1.0580e-04 -6.0000e+00 1.4552e-02 8.3243e-03 6.3363e-05 12 8 8 10 0 0 -42.28 22.28 1.97 0.00832 0.00762 18 4 1 5 0 2700.740 26.62 20.00 22.28 27.32 4.7 1024.04 107673 17174 12845 255951 -46851 -33320 25091 122808 106751 44353 14230 -73469 900000 -34236 -2026 81851 -3432 92372 22577 900000 -10198 18754 31306 516 900000 13725 900000 2953 -20593 -14629 -28169 -32268 -33504 -11054 -27518 25402 -32714 -39381 -24614 69017 70382 132758 266001 244174 28446 104031 25176 169703 68076 152041 25340 76030 47539 5394 47444 13524 6998 14239 15143 64929 7372 24142 12684 25814 7119 -1496 15838 17467 12222 29733 58 9086 5975 5706 4113 -4292 -12721 -16590 11546 -11407 -1302 9986 3977 5003 3412 -1184 -8627 -173 2922 4005 3418 11656 5714 -8428 -2078 2416 -7399 1962 -909 -3471 -4859 -2343 -1028 -5185 -3763 -5798 -345 -419 -3294 -1563 -2043 3927 41 899 1078 -843 -1977 -770 674 -1197 21 2204 5335 1401 205 2326 516 337 500 1217 1186 -2838 1363 1205 362 2128 -894 -2055 787 -46 -60 -1239 -640 2540 1053 788 4427 -3684 -1939 789 2124 1847 1325 559 -6932 900000 -2746 -134 2574 -264 2760 1349 900000 -770 973 1378 32 900000 820 900000 184 -1425 -911 -2193 -3014 -3535 -975 -2666 1318 -3056 -4428 -2853 3701 4139 4363 4601 4224 2411 3959 2047 3229 3650 3682 2367 4734 4276 793 4842 2012 1138 2118 2095 5054 982 2840 1865 3751 1342 -305 2657 2961 2389 5606 16 2452 1643 1471 968 -965 -2838 -3845 2237 -3315 -408 3247 1541 2060 1517 -586 -4835 -92 1501 1967 1585 4677 2362 -4169 -1093 1433 -5708 1605 -782 -3177 -4309 -2006 -778 -3991 -3047 -5135 -306 -401 -3274 -1758 -2647 5286 60 1295 1499 -1154 -2742 -1104 1013 -1916 33 3243 7274 1935 278 3003 657 445 755 2131 2346 -6372 3136 2985 975 5484 -2437 -5735 2131 -121 -160 -3073 -1493 SS 20240614T103809.1Z 8931.443161 72 1 48.85 2 80.98 67.25 137.55 343.40 0.00 1 0.00 1 0 17 4.226e-01 1.946e-02 1.315e-01 5.602e-03 7.546032e-01 3.061304e-03 8.932773e-03 -6.000000e+00 2.458585e-01 232.82 -2.00 3.47 -2.00 321.60 0.00e+00 8.092511e-03 1.602285e-03 5.275955e-03 -6.000000e+00 1.084387e-02 287.40 -2.00 20.00 -2.00 321.03 0.00e+00 6.041 0.004 302.00 328.00 3 2.0239e+00 1.1248e-02 7.5475e-02 -6.0000e+00 6.1761e-01 5.0777e-01 1.4780e-02 4.8036e-02 -6.0000e+00 6.6672e-01 -8.1252e-01 1.2657e-02 2.5362e-02 -6.0000e+00 3.9672e-01 3.3765e-01 5.9846e-03 8.2534e-03 -6.0000e+00 1.6822e-01 8.2364e-05 -8.6969e-04 1.4968e-04 1.6458e-04 -6.0000e+00 1.1271e-02 9.0963e-03 -6.2584e-05 12 8 8 10 0 0 52.88 22.31 1.03 0.00910 0.00256 50 12 1 5 0 976.900 26.73 20.00 22.31 27.79 4.6 1026.42 -118628 -62199 -130646 -121837 -127984 -179616 -51734 -152634 -60203 -157328 -118926 -143824 -103412 -30708 -58717 3193 -78164 -9362 -22711 22692 22911 -51663 31871 -63585 10862 -25149 7716 33541 -63601 -13132 -17396 -20644 3017 -9679 19793 -7845 1576 463 -18230 57659 16657 45495 2885 34860 21264 15640 31805 25096 42617 -2300 12730 21016 31022 26013 12266 26371 4865 15422 16234 16372 13190 10955 24849 7407 11040 9318 7367 12969 4471 13834 4444 4307 4088 4741 4415 -4954 -786 -5689 -5007 -697 -1493 2208 -5238 -1184 1516 -1026 -1306 497 1950 -564 792 1072 -4130 -942 -4220 -257 -2423 -623 -1071 -2487 -633 -2212 -2241 -2828 -3152 -2596 -2583 -3 -1581 36 -583 -91 283 -579 1081 -759 -42 173 68 1282 296 1922 1457 1751 386 1098 1972 1280 715 140 850 -27 -26 551 226 444 -463 -343 338 -553 11 -1096 -1090 -2180 -850 -3439 -2844 -2797 -5888 -509 -3942 -724 -5157 -2664 -4400 -2599 -487 -1572 56 -3502 -230 -682 446 451 -2060 540 -2883 243 -824 181 586 -2849 -373 -608 -914 124 -492 725 -356 67 23 -1295 2268 1110 2436 247 2228 1568 1239 2189 1906 2841 -255 1335 2273 3339 3183 1823 3515 821 2325 2341 2281 1917 1766 3978 1615 2527 2174 1715 2912 1081 3511 1386 1418 1344 1465 1248 -1370 -211 -1604 -1415 -226 -583 963 -2747 -638 845 -626 -845 328 1275 -368 480 606 -2355 -532 -2754 -189 -2149 -579 -1121 -2735 -653 -2085 -2070 -2564 -3054 -2456 -2582 -3 -1850 47 -868 -136 432 -877 1669 -1146 -63 271 104 2044 476 3176 2316 2692 582 1589 2729 1832 1161 244 1647 -57 -58 1214 537 1118 -1209 -907 889 -1424 26 -2475 -2522 SS 20240614T104941.6Z 8931.451176 77 1 48.77 2 78.90 68.92 138.14 347.44 0.00 1 0.00 1 0 25 4.374e-01 1.003e-02 5.744e-02 2.271e-03 6.557395e-01 1.222160e-03 7.581835e-03 -6.000000e+00 2.544869e-01 232.82 -2.00 3.47 -2.00 320.96 0.00e+00 4.141141e-03 5.464328e-04 2.800305e-03 -6.000000e+00 1.122359e-02 287.40 -2.00 20.00 -2.00 320.32 0.00e+00 5.009 0.002 302.00 328.00 3 1.6870e+00 4.0278e-03 6.1598e-02 -6.0000e+00 6.3928e-01 9.7334e-02 5.3108e-03 3.7562e-02 -6.0000e+00 6.9008e-01 -2.2562e-01 4.9641e-03 1.9796e-02 -6.0000e+00 4.1063e-01 9.1086e-02 2.4096e-03 6.2452e-03 -6.0000e+00 1.7414e-01 3.5381e-04 -5.2693e-04 6.1826e-05 9.0266e-05 -6.0000e+00 1.1664e-02 8.2194e-03 -5.2081e-05 12 8 8 10 0 0 -2.58 22.34 0.57 0.00822 0.00426 124 29 1 5 0 393.270 26.73 20.00 22.34 28.37 4.7 1030.43 -186795 -139745 -131256 -135309 -137318 -151245 -141157 -117537 -135958 -113057 -125539 -124603 -107239 -64610 -51497 -58753 -39878 -26333 -24877 -29281 -27926 -19467 -10302 -19770 -30536 -16196 -6853 -30182 -16206 -32822 -14480 -8560 -11449 -7619 -5186 -2805 -11795 -2122 -7765 1596 4040 6706 -1568 6667 7761 4519 4113 7411 2259 3940 4353 10233 6289 6056 6974 3579 4244 1525 2698 2922 2704 5544 5786 6029 3208 2086 2410 1696 2013 3173 2679 1286 1406 858 -120 -835 -2011 -1999 -3779 -1624 -1165 -991 -1816 -1898 -272 -959 -24 412 473 969 123 939 -1020 -1147 -534 -1333 -570 165 -161 -590 -566 -1359 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