File name: Pandora32s1_GreenbeltMD_20240620_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240621T051639.7Z 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_20240620_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: 20240620 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 20240620T103748.0Z 8937.442917 159 1 22.84 2 81.19 66.90 117.57 256.95 0.00 1 0.00 1 0 17 5.458e-01 1.612e-02 2.108e-01 6.955e-03 7.478457e-01 3.841485e-03 8.460869e-03 -6.000000e+00 3.186891e-01 232.79 -2.00 3.47 -2.00 321.49 0.00e+00 8.403003e-03 2.012738e-03 1.517733e-03 -6.000000e+00 1.413633e-02 287.95 -2.00 20.00 -2.00 320.90 0.00e+00 6.167 0.004 302.00 328.00 3 1.6717e+00 1.3895e-02 7.3096e-02 -6.0000e+00 8.0219e-01 3.7189e-01 1.9000e-02 4.0872e-02 -6.0000e+00 8.6666e-01 -5.4703e-01 1.7693e-02 2.3025e-02 -6.0000e+00 5.1374e-01 2.2271e-01 8.2852e-03 1.1376e-02 -6.0000e+00 2.1722e-01 1.0414e-04 -1.1152e-03 1.8630e-04 1.3781e-04 -6.0000e+00 1.4673e-02 1.1405e-02 -7.3085e-05 12 9 9 12 9 1 55.24 22.10 0.59 0.01141 0.00303 22 11 1 5 0 992.680 26.51 20.00 22.10 25.40 4.6 1012.24 -165697 -154587 -167640 -164960 -152047 -187248 -135870 -133848 900000 -199271 -166477 -136510 -158058 -76568 -41005 -4347 -116565 -19586 -50317 23838 20955 -50516 184173 -67763 -54376 -3831 19545 46135 -40063 -40528 -24804 -15468 20742 -12098 15540 -30668 -16278 19650 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847 1168 566 1429 -954 -1223 -1870 -691 -1027 -173 -540 -2579 0 -1930 -1859 -614 -2066 -703 -1953 -695 -1589 846 -1236 180 1069 185 871 -649 -169 188 -86 -199 -472 1765 1864 1917 1823 -790 1586 1148 -383 2213 1840 872 266 1620 -484 -990 75 249 -403 -1308 258 -597 -2725 SS 20240620T105028.4Z 8937.451717 164 1 48.56 2 78.91 68.73 119.89 258.59 0.00 1 0.00 1 0 17 4.021e-01 8.230e-03 4.015e-02 1.465e-03 6.429279e-01 7.810930e-04 7.323937e-03 -6.000000e+00 2.338849e-01 232.79 -2.00 3.47 -2.00 320.74 0.00e+00 3.151346e-03 3.319694e-04 1.910497e-03 -6.000000e+00 1.034167e-02 287.95 -2.00 20.00 -2.00 320.07 0.00e+00 5.012 0.002 302.00 328.00 3 9.0115e-01 2.5192e-03 6.0633e-02 -6.0000e+00 5.8738e-01 6.5632e-02 3.2852e-03 3.5333e-02 -6.0000e+00 6.3408e-01 -1.2790e-01 3.0609e-03 1.8394e-02 -6.0000e+00 3.7743e-01 4.8230e-02 1.5056e-03 5.7979e-03 -6.0000e+00 1.6011e-01 7.7371e-04 -5.1325e-04 3.9784e-05 7.3295e-05 -6.0000e+00 1.0725e-02 1.0002e-02 -7.2154e-05 11 8 0 10 0 0 1.80 22.12 0.41 0.01000 0.00615 227 53 1 5 0 213.910 26.51 20.00 22.12 26.24 4.7 1018.97 -161863 -138366 -102062 -132273 -128604 -158978 -128396 -126758 -118249 -94485 -124567 -97457 -79310 -72386 -39457 -40770 -34530 -40190 -23343 -17903 -25524 -23366 -24276 -18182 -27831 -16110 -13074 -18878 -25890 -26357 -10323 -11137 4456 -6040 -9437 -6250 -10726 60 -5510 3369 1736 3108 -1160 858 5857 1133 3266 3772 2256 2379 1593 6397 4005 5046 3946 1882 3954 762 2974 1547 2984 4147 3167 5151 2978 2032 1295 894 2169 1363 1525 648 1076 6 -204 -420 -2478 -1580 -2331 -1256 -1224 -1495 -1507 -1998 -623 -710 -199 266 425 643 395 893 -953 -354 -371 -524 7 160 122 -471 -432 -1180 -1059 -502 -1053 -1217 -955 -402 77 268 515 280 404 207 43 316 200 351 -11 107 -200 322 671 376 310 318 91 807 187 87 -12 64 -150 -17 -61 -88 -14 43 79 -189 49 -218 -417 -2105 -1740 -992 -1758 -1525 -2431 -1523 -1685 -1656 -1148 -2154 -1407 -1179 -1303 -654 -839 -770 -1057 -570 -443 -711 -641 -690 -527 -974 -536 -435 -656 -943 -1009 -392 -519 209 -350 -558 -347 -664 4 -428 291 175 337 -139 105 692 144 416 493 313 351 261 1127 801 1090 923 471 1007 185 754 390 755 1127 906 1640 1045 715 446 314 818 599 753 342 569 3 -96 -179 -988 -617 -1001 -630 -670 -944 -1057 -1504 -493 -560 -166 229 368 540 337 705 -726 -270 -311 -473 7 178 151 -602 -525 -1303 -1135 -528 -1190 -1375 -1133 -505 105 381 814 447 653 326 68 476 298 546 -17 176 -332 515 1091 594 471 465 128 1148 297 148 -22 121 -299 -35 -131 -201 -32 97 180 -441 108 -450 -875 SS 20240620T105610.6Z 8937.455678 167 1 48.60 2 77.87 69.55 120.93 259.33 0.00 1 0.00 1 0 17 2.851e-01 6.967e-03 2.594e-02 1.069e-03 5.967791e-01 5.654462e-04 6.786770e-03 -6.000000e+00 1.657873e-01 232.79 -2.00 3.47 -2.00 320.41 0.00e+00 2.279586e-03 2.136217e-04 1.225852e-03 -6.000000e+00 7.330614e-03 287.95 -2.00 20.00 -2.00 319.71 0.00e+00 4.617 0.002 302.00 328.00 3 7.9397e-01 1.7433e-03 5.5750e-02 -6.0000e+00 4.1636e-01 3.3294e-02 2.2028e-03 3.2039e-02 -6.0000e+00 4.4946e-01 -8.4780e-02 1.9754e-03 1.6312e-02 -6.0000e+00 2.6754e-01 3.0644e-02 9.9146e-04 5.0387e-03 -6.0000e+00 1.1349e-01 1.3151e-03 -5.1502e-04 2.9371e-05 5.8979e-05 -6.0000e+00 7.6022e-03 9.9946e-03 -7.2032e-05 11 8 0 10 0 0 72.49 22.15 0.36 0.00999 0.00612 296 69 1 5 0 164.150 26.51 20.01 22.15 26.88 4.7 1022.44 -110775 -89708 -87253 -96441 -95934 -117039 -80205 -89168 -80132 -77934 -83524 -72440 -63202 -46482 -29926 -19674 -24773 -22915 -13190 -11919 -13030 -17806 -14250 -13319 -14631 -11578 -9726 -13427 -13793 -15116 -9920 -6909 -1995 -3678 -6324 -5098 -6934 -3001 -2502 2040 533 1993 318 1499 2742 1475 2425 3146 1369 711 1855 3332 3396 3708 3409 1980 2034 641 1529 390 1765 2284 2906 3426 1703 1004 965 231 729 1544 1196 488 603 325 -367 -1009 -1553 -1958 -2189 -1229 -1300 -1088 -1855 -1778 -697 -552 -75 513 471 868 275 764 -494 -199 -75 -204 213 423 142 -483 -453 -927 -816 -313 -1073 -1339 -911 -441 -5 416 422 273 409 341 74 255 78 137 -49 128 -72 250 534 345 264 186 -10 838 264 266 34 -168 -250 -121 26 -135 -52 149 80 -78 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