File name: Pandora32s1_GreenbeltMD_20231205_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231206T055908.4Z 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_20231205_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: 20231205 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 20231205T124551.0Z 8739.531840 283 1 47.90 2 85.03 124.19 36.13 215.70 0.00 1 0.00 1 0 25 4.923e-01 6.542e-02 2.659e-01 3.543e-02 1.028912e+00 1.929413e-02 1.154952e-02 -6.000000e+00 2.761089e-01 223.28 -2.00 3.47 -2.00 321.19 0.00e+00 -2.581148e-02 3.950076e-03 4.569745e-03 -6.000000e+00 1.220484e-02 279.39 -2.00 20.00 -2.00 320.46 0.00e+00 9.869 0.017 302.00 328.00 3 3.6369e-01 5.6786e-02 1.1990e-01 -6.0000e+00 6.8004e-01 2.2929e+00 6.6492e-02 9.1377e-02 -6.0000e+00 7.4052e-01 -2.5577e+00 3.5915e-02 2.4346e-02 -6.0000e+00 4.4186e-01 8.8514e-01 2.1243e-02 2.4470e-02 -6.0000e+00 1.8954e-01 7.3539e-06 2.1738e-03 8.5472e-04 2.9522e-04 -6.0000e+00 1.3100e-02 1.0770e-02 -2.0773e-04 12 8 8 10 0 0 75.40 20.75 3.42 0.01077 0.02710 18 4 1 5 0 2660.590 25.47 19.99 20.75 9.52 3.8 910.07 91590 87454 25214 29328 -13643 -53007 60638 63 36068 -20861 15539 -18910 28776 7081 43930 26334 -12977 14058 20029 101248 16071 -50968 70147 -11824 81429 15763 -10253 130320 -39439 -38794 36375 -48516 100264 -18774 -32395 -68995 -52573 -47432 -21172 74122 91302 146112 95106 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-6400 -1392 8337 -3923 7375 10953 2107 15985 -2806 5072 -4810 814 4790 5969 -4357 -1197 8534 1585 9264 15517 -1916 5379 -14341 -6836 -7307 -2541 -954 2964 1699 -2790 -426 5825 -1633 4007 -7469 13225 -8888 1641 -5437 3064 -4806 -4928 6525 7346 147 7192 361 1547 -10946 197 1744 -4035 -5269 -14772 6193 12999 6549 -2404 -12096 3956 3497 322 -597 2810 SS 20231205T125847.8Z 8739.540831 286 1 48.68 2 82.98 126.38 37.70 220.26 0.00 1 0.00 1 0 17 3.510e-01 2.209e-02 1.054e-01 6.076e-03 9.274293e-01 3.325923e-03 1.056272e-02 -6.000000e+00 1.969994e-01 223.28 -2.00 3.47 -2.00 321.98 0.00e+00 1.307330e-02 1.748732e-03 1.661766e-03 -6.000000e+00 8.706181e-03 279.39 -2.00 20.00 -2.00 321.53 0.00e+00 7.511 0.007 302.00 328.00 3 4.1045e-01 1.2029e-02 8.8830e-02 -6.0000e+00 4.8520e-01 1.1311e+00 1.5324e-02 5.1484e-02 -6.0000e+00 5.2821e-01 -1.5253e+00 1.2745e-02 2.6528e-02 -6.0000e+00 3.1518e-01 6.2402e-01 6.2168e-03 1.4478e-02 -6.0000e+00 1.3530e-01 7.8116e-05 -2.1769e-03 1.5014e-04 2.1218e-04 -6.0000e+00 9.3371e-03 7.9998e-03 -1.1566e-04 12 8 8 10 0 0 6.30 20.77 0.96 0.00800 -0.00836 80 19 1 5 0 608.400 25.47 19.99 20.77 10.42 3.8 915.93 -89509 -54308 -54321 -55974 -98188 -114289 -42225 -122762 -93707 -106660 -116254 -136992 -94920 -40828 -52166 -2938 -28242 11252 9897 16506 -619 -33607 19486 -38701 14076 9098 -13933 -17807 -39277 -52513 -9048 -31263 22161 15585 6547 11081 5563 -59 -7669 54301 21418 64770 6713 42618 29836 28248 29206 35064 43729 14853 25739 62581 40671 48487 31743 33975 31266 14636 23811 18811 25346 17194 22986 20940 18640 23669 19654 18845 14883 24470 16838 12142 13434 8810 4886 -579 -92 -5097 -5531 -1243 492 2875 -1869 1167 1641 -459 1975 -356 1884 2111 274 -1514 -4399 -4134 -5000 -4215 -2636 -2787 -1356 -2636 -1120 -3567 -4695 -3003 -4142 -2794 -3289 -1761 -2207 -1048 -903 -444 -291 -419 206 -218 -902 450 297 412 1202 2921 2577 2284 2219 1558 2173 756 1027 858 685 471 155 360 516 72 -316 -262 160 -453 -120 -755 -2078 -3230 -1609 -1668 -1628 -3649 -4186 -751 -4298 -2423 -3045 -3507 -5313 -3017 -1113 -1883 -87 -1222 353 328 509 -22 -1493 473 -1651 350 232 -429 -538 -1420 -2302 -311 -1686 827 674 295 433 227 -3 -454 1995 1206 2494 477 2146 1697 1640 1713 2015 2435 1179 2013 3782 3350 3965 3216 3422 3242 1743 2441 1917 2403 1905 2765 2990 3026 3730 3202 3193 2857 4886 4030 3180 3415 2177 1120 -123 -18 -1060 -1314 -346 148 992 -762 495 730 -220 968 -184 954 1033 128 -678 -1971 -1929 -2696 -2708 -2002 -2506 -1368 -2587 -1131 -3297 -3854 -2300 -3371 -2399 -3001 -1710 -2408 -1206 -1204 -657 -450 -652 309 -317 -1321 679 477 687 1960 4435 3717 3207 3035 2084 2802 1025 1604 1589 1342 1017 361 899 1382 191 -858 -719 436 -1191 -314 -1816 -4743 SS 20231205T130928.8Z 8739.548250 289 1 48.75 2 81.33 128.24 39.11 223.80 0.00 1 0.00 1 0 17 5.795e-01 1.625e-02 9.557e-02 2.938e-03 8.240862e-01 1.577566e-03 9.303451e-03 -6.000000e+00 3.253632e-01 223.28 -2.00 3.47 -2.00 321.54 0.00e+00 7.284668e-03 8.084605e-04 2.703348e-03 -6.000000e+00 1.437786e-02 279.39 -2.00 20.00 -2.00 321.06 0.00e+00 6.261 0.004 302.00 328.00 3 7.1245e-01 5.4960e-03 7.5488e-02 -6.0000e+00 8.0135e-01 4.4360e-01 7.7232e-03 4.4603e-02 -6.0000e+00 8.7232e-01 -6.0865e-01 7.8524e-03 2.6438e-02 -6.0000e+00 5.2051e-01 2.5029e-01 3.6915e-03 1.1116e-02 -6.0000e+00 2.2350e-01 2.2879e-04 -1.2858e-03 7.5276e-05 1.5437e-04 -6.0000e+00 1.5417e-02 7.1418e-03 -8.9604e-05 12 8 8 10 0 0 85.04 20.80 0.60 0.00714 -0.00252 130 30 1 5 0 374.950 25.47 20.00 20.80 11.26 3.7 919.55 -184159 -161323 -134806 -227992 -111524 -247379 -95242 -176518 -197893 -134886 -209414 -166703 -171954 -69915 -85758 -78080 -44056 -73265 -25682 -26001 -32150 -6555 -48923 -43620 -57892 -18350 -30864 -30490 -19407 -74772 14519 -36291 8385 5338 1128 -1634 -23906 545 -7510 27432 13348 18195 15313 11258 26472 15131 20961 32388 11340 13882 7541 24487 21216 21116 21305 8333 16965 4774 13058 7316 10311 12721 7779 14052 7916 11226 8039 7760 7922 6545 5912 3397 5378 3758 -91 722 -2300 -1329 -2179 -373 172 -1732 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