File name: Pandora32s1_GreenbeltMD_20231002_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240223T220329.8Z 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 v1.8.59 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20231002_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: 20231002 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 20231002T113619.7Z 8675.483561 242 1 46.75 2 84.62 99.03 56.27 268.54 0.00 1 0.00 1 0 33 5.153e-01 5.754e-02 2.705e-01 3.290e-02 8.003536e-01 1.779104e-02 9.102312e-03 -6.000000e+00 2.942469e-01 227.54 -2.00 3.47 -2.00 321.26 0.00e+00 -4.264685e-03 4.951645e-03 3.859941e-03 -6.000000e+00 1.325076e-02 286.77 -2.00 20.00 -2.00 320.57 0.00e+00 9.282 0.014 302.00 328.00 3 1.0949e+00 5.4131e-02 1.0344e-01 -6.0000e+00 7.2983e-01 1.7323e+00 6.2616e-02 5.2295e-02 -6.0000e+00 7.9136e-01 -1.9168e+00 3.4610e-02 1.9612e-02 -6.0000e+00 4.7243e-01 6.8129e-01 1.9275e-02 9.3899e-03 -6.0000e+00 2.0242e-01 7.8550e-06 2.1946e-04 8.7812e-04 7.6345e-05 -6.0000e+00 1.3726e-02 8.7237e-03 -5.9668e-05 12 8 8 10 0 0 26.03 21.80 3.01 0.00872 0.01037 12 3 1 5 0 3895.000 26.32 20.01 21.80 21.89 3.5 978.35 67494 35816 92112 24490 -28305 -46231 58353 301298 47932 39284 -56153 -542 16654 19255 82381 15390 -4513 12154 48049 140184 7577 -32337 132579 43210 6069 5177 96099 8668 10614 -51332 5004 -24767 139889 -6896 -34442 -56155 -62198 6867 -15225 73823 13047 68010 900000 104769 44814 19878 72806 144614 80255 258230 -22516 79153 38415 22033 17321 41293 25160 29212 31721 -1291 -9504 7753 -3608 20539 -10444 32373 5838 5955 20950 39744 1063 -17576 7163 29700 14402 -15677 -24261 -25858 -18293 -26086 4877 25893 33123 -1657 27142 -4991 6725 -1454 4773 10993 -7264 -11703 -924 -14471 14228 5305 -11456 5519 5891 808 -3471 -6875 -12299 -2775 -3355 -3002 5965 4166 3154 -1519 -1885 3536 -1741 1220 3344 -5418 -2713 -1766 5716 689 3400 -1473 5390 439 2698 -4568 85 1930 -4299 3904 638 -2234 -1834 1853 -1267 2618 998 -6712 3622 3094 -722 3295 -3741 7480 5641 7791 3500 -5448 -8899 3744 9666 3635 3208 -11300 -62 1749 2246 5766 2289 -842 1914 5185 5724 1083 -6225 4640 3781 796 679 4765 910 960 -8234 496 -3756 4937 -986 -5927 -10809 -12698 859 -2531 6395 2260 6982 900000 7059 5176 2806 5839 5567 5922 8285 -5129 7110 5546 3958 3390 6491 4682 5061 4987 -261 -2012 1443 -833 4151 -3049 6024 1367 1414 4638 8288 358 -7387 2298 7051 3558 -4577 -7005 -7549 -5458 -9959 1612 7975 10520 -792 10275 -2754 3452 -830 2542 5290 -3915 -6158 -421 -7799 6482 3097 -9262 4355 5159 765 -3251 -5978 -10140 -2039 -2648 -2523 4841 3702 3137 -1813 -2571 4992 -2676 1800 4645 -7926 -3873 -2618 8363 1109 5302 -2316 7592 634 3705 -6551 113 2619 -7103 6913 1315 -4678 -4082 4274 -3256 6879 2741 -20243 9867 8193 -1857 7563 -8806 SS 20231002T114841.9Z 8675.492152 245 1 48.47 2 82.25 101.03 58.59 270.47 0.00 1 0.00 1 0 17 4.050e-01 1.891e-02 9.492e-02 5.057e-03 7.167155e-01 2.727674e-03 8.624490e-03 -6.000000e+00 2.312024e-01 227.54 -2.00 3.47 -2.00 321.50 0.00e+00 8.422450e-03 1.379199e-03 4.629885e-03 -6.000000e+00 1.036630e-02 286.76 -2.00 20.00 -2.00 320.92 0.00e+00 6.902 0.006 302.00 328.00 3 1.0724e+00 9.7011e-03 7.9680e-02 -6.0000e+00 5.7350e-01 5.3405e-01 1.2620e-02 4.2918e-02 -6.0000e+00 6.2154e-01 -7.7612e-01 1.0583e-02 2.3510e-02 -6.0000e+00 3.7132e-01 3.2031e-01 5.0637e-03 8.3407e-03 -6.0000e+00 1.5919e-01 1.0003e-04 -1.3386e-03 1.3781e-04 1.5129e-04 -6.0000e+00 1.0786e-02 6.1217e-03 -4.5525e-05 12 8 8 10 0 0 24.85 21.81 0.69 0.00612 -0.00394 67 16 1 5 0 723.320 26.32 20.01 21.81 22.43 3.5 981.75 -108801 -139669 -79813 -119153 -137966 -156907 -107193 -107163 -130166 -121739 -158616 -109082 -23761 -77400 -34791 -51930 -39173 -15628 16541 35334 -24739 -17315 -22825 -21676 6193 -11462 42354 -33061 -45850 -51489 -10450 -4282 23969 6676 -8594 -4801 -6161 11289 2012 27567 19814 16463 1532 42098 22848 16206 19931 34798 11598 8674 24046 29086 25806 16051 24029 11944 14293 8229 17495 14810 12937 11582 15653 13687 13045 8378 10269 10440 4335 8963 6112 6033 2181 5789 -251 798 -2797 -3674 -3122 -2396 -883 -2586 -2991 -3291 644 -1230 -317 -218 -292 1784 -693 -95 -913 -4357 -2421 -3196 -1379 -494 -1102 -1991 -1477 -1949 -3211 -1389 -2751 -2481 -2014 -1684 -828 -743 213 64 386 389 122 -21 -328 297 430 562 1098 1220 1473 1290 2081 1274 855 932 293 976 1086 -151 218 401 290 -350 193 -474 -426 137 -430 -442 -1405 -2195 -4571 -1693 -3312 -4082 -4995 -2220 -2325 -3787 -3362 -5760 -2797 -316 -2290 -858 -1844 -1391 -478 392 714 -915 -572 -777 -748 168 -379 815 -1304 -1990 -2463 -387 -182 898 326 -475 -239 -319 557 130 1631 1427 1315 149 2803 1859 1431 1730 2677 1173 954 2479 3184 3207 2159 3472 1826 2179 1325 2727 2293 2061 1838 2716 2768 2895 1953 2288 2354 1123 2548 2003 2091 785 1908 -80 226 -751 -988 -920 -836 -362 -1249 -1620 -1914 383 -795 -215 -153 -207 1209 -454 -58 -534 -2676 -1622 -2314 -1153 -476 -1199 -2271 -1603 -1920 -2878 -1188 -2540 -2452 -2093 -1870 -1000 -1017 302 99 609 604 181 -30 -467 439 676 929 1813 1945 2245 1913 2966 1918 1245 1384 454 1731 2153 -304 462 905 703 -907 478 -1200 -1085 361 -1074 -1029 -3140 SS 20231002T120642.2Z 8675.504655 250 1 48.70 2 78.84 103.99 61.95 273.20 0.00 1 0.00 1 0 17 2.574e-01 7.202e-03 2.680e-02 1.251e-03 5.550659e-01 6.505537e-04 6.392583e-03 -6.000000e+00 1.469161e-01 227.54 -2.00 3.47 -2.00 320.36 0.00e+00 1.703651e-03 2.426450e-04 8.013291e-04 -6.000000e+00 6.587741e-03 286.76 -2.00 20.00 -2.00 319.67 0.00e+00 4.985 0.002 302.00 328.00 3 8.1699e-01 1.9895e-03 5.6969e-02 -6.0000e+00 3.6443e-01 2.4078e-02 2.4920e-03 2.9158e-02 -6.0000e+00 3.9497e-01 -6.9920e-02 2.2084e-03 1.4836e-02 -6.0000e+00 2.3596e-01 2.4429e-02 1.1171e-03 4.5630e-03 -6.0000e+00 1.0115e-01 9.8383e-04 -6.5876e-04 3.4923e-05 5.2901e-05 -6.0000e+00 6.8556e-03 6.0723e-03 -8.4199e-05 11 8 0 10 0 0 0.07 21.86 0.41 0.00607 0.00112 254 60 1 5 0 191.700 26.32 20.00 21.86 23.30 3.5 986.07 -110227 -70276 -77812 -78839 -83630 -106165 -87665 -88125 -61858 -72309 -69574 -66347 -54179 -46357 -25359 -15686 -22066 -9236 -16596 -8463 -7756 -15401 -5322 -12822 -8882 -13024 -9039 -8226 -16650 -11853 -13062 -7732 -1068 -2633 -3538 -7397 -4521 -3753 -1568 1590 503 2556 -13 3217 2943 2421 1742 2447 1763 1572 3137 3747 3440 3011 2828 4050 1923 462 179 577 1685 2209 2853 3178 1950 996 536 599 729 1498 776 429 436 263 44 -1127 -1401 -2128 -1863 -1644 -1121 -1209 -2006 -1970 -792 -664 16 284 585 712 686 337 -379 -313 46 1 270 491 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