File name: Pandora32s1_GreenbeltMD_20231114_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231115T064404.3Z 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_20231114_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: 20231114 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 20231114T122251.2Z 8718.515871 47 1 49.08 2 84.90 118.45 99.48 114.83 0.00 1 0.00 1 0 25 3.843e-01 4.858e-02 1.934e-01 2.786e-02 9.669778e-01 1.521534e-02 1.087244e-02 -6.000000e+00 2.162520e-01 223.69 -2.00 3.47 -2.00 321.49 0.00e+00 -2.349695e-02 4.014224e-03 6.468294e-03 -6.000000e+00 9.626035e-03 281.64 -2.00 20.00 -2.00 320.83 0.00e+00 9.686 0.016 302.00 328.00 3 3.6696e-01 4.5948e-02 1.2159e-01 -6.0000e+00 5.3268e-01 1.9863e+00 5.3769e-02 9.9377e-02 -6.0000e+00 5.7933e-01 -2.2569e+00 3.0342e-02 2.4283e-02 -6.0000e+00 3.4606e-01 8.1464e-01 1.7394e-02 2.4439e-02 -6.0000e+00 1.4888e-01 9.6027e-06 2.8028e-04 6.9731e-04 2.3854e-04 -6.0000e+00 1.0222e-02 3.8860e-03 -3.3338e-05 12 8 8 10 0 0 13.15 21.05 2.21 0.00389 0.00599 20 5 1 5 0 2453.640 25.68 20.00 21.05 12.65 3.7 927.10 36728 68050 22734 7317 -10907 -7658 -1974 -18027 21224 -14787 32961 -42933 6157 38972 73225 11537 -10222 17444 -8848 292919 8828 -30634 38214 -31215 24070 17907 36610 -26528 10345 -61173 -34350 -47917 9059 2021 215 -22071 -47009 -3017 -15245 84918 28891 38139 60688 73229 -3642 63540 20137 74418 1645 48691 10019 6378 23959 89078 12716 62341 10671 1660 25144 -23105 36547 -43298 37619 -13383 2362 20437 1004 105573 7882 100010 1721 -2669 8949 39152 1842 -24686 -6459 -38362 -28146 -16725 -5715 21581 -368 9545 24865 6649 30621 11029 3982 -10813 5252 -12673 -4212 11801 4383 13699 -1912 4901 7062 -4386 -5305 -10099 -15416 111 -10838 3040 -2383 9392 -5697 732 -3603 6875 -1223 -1279 7389 503 -2260 551 4516 358 -1198 579 2780 3374 -124 -353 865 -4129 1889 2208 -973 -3717 -2966 1897 201 1548 -683 -3294 825 1611 387 1164 110 5444 7228 3426 1066 -1482 -851 -210 -2538 2254 -2374 3257 -8908 806 3851 5426 1653 -1818 2284 -1442 7959 1025 -4767 2926 -5320 2676 2212 3527 -4063 894 -9671 -4327 -7694 895 220 22 -2508 -6851 -320 -2222 5999 3640 4974 6101 5969 -574 4662 2134 4449 206 3969 1307 953 3255 6777 2211 6945 2059 343 3758 -4960 3972 -10588 4498 -2982 481 3443 202 7745 1692 9783 496 -834 2432 7234 436 -6574 -1299 -10632 -7801 -4908 -1786 5981 -143 3605 8513 2873 10816 4825 1839 -5524 2126 -5785 -1739 4393 2013 6775 -1299 3609 5699 -4100 -4757 -8479 -12106 72 -8334 2173 -1897 7171 -5666 795 -4748 9097 -1680 -1769 10039 709 -3273 808 6724 523 -1746 864 3860 4548 -169 -470 1107 -5823 2915 3659 -1903 -8236 -7041 4654 545 4394 -2034 -10172 2434 4522 1015 2774 250 SS 20231114T123520.5Z 8718.524542 50 1 48.94 2 82.79 120.54 97.40 116.62 0.00 1 0.00 1 0 25 5.205e-01 1.802e-02 1.812e-01 5.923e-03 8.375953e-01 3.220931e-03 9.317657e-03 -6.000000e+00 2.929546e-01 223.69 -2.00 3.47 -2.00 321.88 0.00e+00 7.123629e-03 1.802386e-03 1.819736e-03 -6.000000e+00 1.303704e-02 281.64 -2.00 20.00 -2.00 321.41 0.00e+00 7.348 0.007 302.00 328.00 3 7.9771e-01 1.2228e-02 8.5003e-02 -6.0000e+00 7.2162e-01 6.5902e-01 1.6895e-02 4.5770e-02 -6.0000e+00 7.8474e-01 -9.2674e-01 1.5994e-02 2.5305e-02 -6.0000e+00 4.6876e-01 3.7881e-01 7.4140e-03 9.9072e-03 -6.0000e+00 2.0172e-01 7.5756e-05 -1.5738e-03 1.5674e-04 1.4076e-04 -6.0000e+00 1.3843e-02 2.1772e-03 -2.7556e-05 12 8 8 10 0 0 79.66 21.06 0.70 0.00218 -0.00965 65 15 1 5 0 752.890 25.68 20.00 21.06 13.03 3.7 929.27 -128132 -153988 -120284 -138160 -156393 -181130 -147010 -123310 -145507 -171228 -165380 -195224 -55072 -74667 -764 213 -80698 -61980 -20933 135042 -37960 -25491 2385 -81404 10666 -48635 2870 -38113 -53919 -54838 -21602 -33922 37385 16297 12244 -30618 -10141 -1101 1270 52941 38270 36494 2420 37555 49350 49153 25767 37059 30157 1918 25220 27555 30299 34864 31573 29649 19710 11157 20398 16904 24135 10959 16381 13621 9123 15760 12512 11403 10149 17027 5332 8340 8275 5725 4413 1597 -699 -3274 -3120 -1977 -338 -672 -2134 -1413 -301 -1211 1583 -102 1664 -2099 -383 -1085 -1576 -424 -4886 -1826 -2950 -414 -474 -1394 -792 -2356 -2859 -2980 -2707 -2618 -2157 -1973 -424 -1112 -169 -321 430 336 769 -362 -492 -272 240 99 222 1379 1517 1472 1873 1071 993 924 342 685 584 213 592 416 -90 -119 -215 -279 141 -78 -296 -696 -991 -1682 -3153 -1895 -2539 -3038 -3995 -2462 -1709 -2689 -4253 -3916 -6048 -573 -1251 -8 3 -2657 -1862 -447 780 -987 -559 39 -3150 172 -1461 51 -991 -1588 -1710 -574 -1274 821 489 375 -1344 -369 -41 56 1651 1569 1644 161 1800 2109 2129 1444 1926 1777 161 1850 2228 2643 3162 3155 3134 2357 1444 2309 1894 2509 1399 2271 2250 1590 2623 2129 2018 1982 3576 1414 2269 2246 1503 1064 351 -144 -696 -741 -561 -114 -266 -966 -683 -153 -659 883 -60 966 -1232 -208 -558 -785 -215 -2925 -1257 -2238 -359 -466 -1450 -786 -2135 -2309 -2513 -2202 -2281 -1976 -1941 -455 -1381 -239 -463 643 500 1191 -545 -739 -425 365 159 351 2239 2339 2205 2717 1518 1363 1301 552 1190 1154 462 1363 954 -224 -314 -584 -768 386 -208 -736 -1606 -2328 SS 20231114T124605.4Z 8718.532007 53 1 48.44 2 81.01 122.39 95.64 118.17 0.00 1 0.00 1 0 25 5.706e-01 1.261e-02 6.576e-02 2.398e-03 7.255853e-01 1.267176e-03 8.269068e-03 -6.000000e+00 3.211926e-01 223.69 -2.00 3.47 -2.00 321.24 0.00e+00 6.428605e-03 6.227275e-04 2.152387e-03 -6.000000e+00 1.429243e-02 281.64 -2.00 20.00 -2.00 320.71 0.00e+00 6.066 0.004 302.00 328.00 3 7.3398e-01 4.3157e-03 7.0741e-02 -6.0000e+00 7.9118e-01 2.2244e-01 5.9081e-03 3.8782e-02 -6.0000e+00 8.6035e-01 -3.3461e-01 5.9023e-03 2.2635e-02 -6.0000e+00 5.1393e-01 1.3747e-01 2.8156e-03 9.3796e-03 -6.0000e+00 2.2118e-01 3.1384e-04 -1.1006e-03 6.3573e-05 1.2103e-04 -6.0000e+00 1.5176e-02 2.0819e-03 -8.6493e-06 12 8 8 10 0 0 88.11 21.07 0.51 0.00208 -0.00619 137 32 1 5 0 353.560 25.68 20.01 21.07 13.34 3.6 930.17 -171723 -223587 -185724 -178449 -185331 -192912 -188318 -165811 -180805 -158406 -163016 -149938 -101936 -118441 -51085 -67242 -58386 -45631 -14055 -20371 -35804 -27782 -50058 -43957 -36505 -34701 -22792 -39468 -45023 -40999 -10508 -12700 -12148 -2356 -11806 -10874 -13301 1 -4757 5292 10051 8939 3454 9757 6477 12874 9405 14017 3632 8924 12903 8950 13251 11210 9596 10040 8902 6325 5194 2265 5402 7004 6883 8282 6930 4626 5807 3191 4150 4465 3290 3129 1135 2355 106 -781 -465 -1469 -2574 -1891 -974 -1483 -2098 -1865 -1522 -539 -744 -92 -80 378 111 -337 -851 -1674 -894 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