File name: Pandora32s1_GreenbeltMD_20231116_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231117T090351.1Z 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_20231116_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: 20231116 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 20231116T123656.0Z 8720.525648 53 1 48.92 2 82.95 121.12 119.60 104.49 0.00 1 0.00 1 0 25 3.038e-01 2.344e-02 1.314e-01 8.448e-03 8.894107e-01 4.593940e-03 9.926436e-03 -6.000000e+00 1.708114e-01 223.59 -2.00 3.47 -2.00 321.99 0.00e+00 7.569425e-03 2.316521e-03 8.947370e-04 -6.000000e+00 7.601715e-03 281.42 -2.00 20.00 -2.00 321.50 0.00e+00 7.482 0.007 302.00 328.00 3 1.0492e+00 1.6552e-02 8.7157e-02 -6.0000e+00 4.2069e-01 1.1470e+00 2.0612e-02 4.7796e-02 -6.0000e+00 4.5765e-01 -1.6107e+00 1.5762e-02 2.4159e-02 -6.0000e+00 2.7335e-01 6.6078e-01 7.8507e-03 9.9256e-03 -6.0000e+00 1.1755e-01 4.5836e-05 -2.2570e-03 2.1778e-04 1.3505e-04 -6.0000e+00 8.0822e-03 5.8897e-03 -7.8487e-05 12 8 8 10 0 0 32.50 20.96 1.22 0.00589 -0.01107 49 11 1 5 0 998.230 25.58 20.00 20.96 12.40 3.7 926.34 -31630 -3926 -9310 24770 -69868 -95500 -39342 -108541 -42794 -76760 -70551 -111860 -63140 -48046 97 37133 -17762 -16650 5911 117472 -5767 -2857 69017 -33084 -14959 -33808 -9709 -43977 -4709 4699 39073 -25611 16018 12142 19798 11591 -19871 -13235 3224 47631 49469 70014 26946 50821 23764 36352 34102 62922 26009 12223 16323 33292 38341 49921 26026 34797 38660 17678 16496 16598 31405 8556 25335 22268 10815 20867 13619 25966 17417 21980 14392 10659 17057 14812 9535 37 -4811 -1422 -11613 -2848 1786 1516 -4636 454 3435 -2738 3650 585 1019 2582 -2130 -3426 -1701 -3427 -4168 -2529 -2894 -3060 -2603 -2372 -1658 -3105 -4196 -3533 -3871 -4053 -2879 -1998 -1965 -1223 -2209 -1032 -237 -433 1340 328 -903 -896 539 366 1938 1554 3222 1958 2362 2010 2338 1054 609 1349 748 -251 768 463 1002 221 82 -1208 -14 -336 -542 -715 -1553 -1184 -126 -321 557 -3349 -4935 -1061 -5772 -1186 -2932 -2431 -5948 -2459 -2051 3 1101 -918 -898 287 1839 -295 -129 1421 -1881 -715 -1922 -416 -2464 -167 155 1062 -1625 779 660 946 544 -1261 -861 207 2276 2568 3115 1887 2805 1684 2246 2163 3058 1907 1088 1520 2907 3475 4318 3002 3755 4045 2228 1984 1873 3001 1093 3110 3247 1951 3455 2390 4129 3272 4509 3545 2854 4230 3502 2129 8 -995 -286 -2899 -788 570 567 -1889 189 1464 -1313 1722 294 511 1236 -1005 -1691 -799 -1697 -2148 -1529 -2096 -2612 -2515 -2398 -1598 -2725 -3287 -2617 -3030 -3406 -2529 -1876 -2055 -1470 -3101 -1460 -349 -640 1885 491 -1364 -1296 815 579 2993 2296 4848 2899 3391 2814 3160 1487 990 2351 1496 -557 1806 1173 2507 592 225 -3395 -39 -902 -1355 -1779 -3652 SS 20231116T124742.5Z 8720.533131 56 1 48.63 2 81.17 122.97 117.68 105.84 0.00 1 0.00 1 0 25 5.521e-01 1.587e-02 7.417e-02 3.011e-03 7.735471e-01 1.604567e-03 8.881079e-03 -6.000000e+00 3.104286e-01 223.59 -2.00 3.47 -2.00 321.48 0.00e+00 6.728176e-03 8.233281e-04 3.120269e-03 -6.000000e+00 1.381422e-02 281.42 -2.00 20.00 -2.00 320.97 0.00e+00 6.163 0.004 302.00 328.00 3 9.0710e-01 5.6079e-03 7.3588e-02 -6.0000e+00 7.6455e-01 3.7095e-01 7.6612e-03 4.2774e-02 -6.0000e+00 8.3168e-01 -5.7274e-01 7.4413e-03 2.4540e-02 -6.0000e+00 4.9676e-01 2.3896e-01 3.5205e-03 9.3119e-03 -6.0000e+00 2.1364e-01 2.2635e-04 -1.2373e-03 7.9305e-05 1.4064e-04 -6.0000e+00 1.4686e-02 5.5116e-03 -6.3415e-05 12 8 8 10 0 0 6.62 20.97 0.68 0.00551 -0.00379 127 30 1 5 0 382.850 25.58 20.00 20.97 13.24 3.7 930.80 -188528 -152222 -178796 -163038 -165022 -159061 -184103 -164688 -170436 -186380 -165869 -176262 -79290 -114605 -61715 -40002 -80160 -44321 -48176 -6531 -44357 -45674 -12852 -71286 -16116 -41408 -3585 -42500 -44588 -41845 -41570 -14444 -9828 11416 -6712 -9153 -6328 -8923 2962 12843 20898 26642 -998 18574 12509 19759 13994 19586 14996 5438 13070 15781 22665 22291 16256 15956 10989 11545 6533 7526 12651 8396 11478 9845 13082 7498 9413 10171 5324 6592 3208 6100 4075 2541 1845 -2402 742 -4392 -3006 -1226 -783 -85 -2525 -1619 -1825 -1467 -53 -217 237 -31 116 -514 -1604 -2116 -2483 -1395 -1221 -524 -1163 -887 -1115 -1672 -1673 -1497 -1908 -2479 -1884 -1079 -849 312 -270 693 74 245 589 -4 326 -336 31 389 370 980 1205 1029 1047 1010 843 1228 628 425 435 366 31 114 166 -203 -127 -23 -228 -267 36 -582 -950 -3321 -2279 -3832 -2968 -2762 -2288 -3405 -2708 -3253 -4433 -3312 -4244 -908 -2490 -1033 -669 -2330 -1002 -1231 -115 -1159 -1180 -238 -2491 -345 -1191 -72 -1223 -1283 -1241 -1465 -483 -375 392 -272 -360 -251 -417 149 701 1203 1572 -82 1298 940 1410 1089 1501 1272 544 1343 1784 2655 2860 2152 2206 1643 1713 985 1085 1920 1311 1994 2008 2846 1747 2120 2332 1397 1971 1114 2177 1482 888 592 -717 197 -1232 -925 -445 -340 -43 -1334 -909 -1091 -931 -35 -149 162 -21 73 -305 -923 -1254 -1655 -1082 -1116 -511 -1284 -1015 -1221 -1654 -1599 -1379 -1871 -2615 -1924 -1172 -1014 420 -385 1072 119 388 891 -6 506 -508 50 648 614 1550 1815 1622 1599 1491 1203 1789 966 760 875 744 68 263 386 -501 -322 -59 -586 -665 83 -1347 -2094 SS 20231116T130104.5Z 8720.542413 61 1 48.54 2 79.03 125.33 115.31 107.52 0.00 1 0.00 1 0 25 4.264e-01 9.080e-03 3.362e-02 1.331e-03 6.539530e-01 6.897219e-04 7.466967e-03 -6.000000e+00 2.398173e-01 223.59 -2.00 3.47 -2.00 320.73 0.00e+00 3.850728e-03 2.899723e-04 1.225036e-03 -6.000000e+00 1.067104e-02 281.41 -2.00 20.00 -2.00 320.16 0.00e+00 5.064 0.002 302.00 328.00 3 7.3023e-01 2.1646e-03 6.0045e-02 -6.0000e+00 5.9064e-01 7.9489e-02 2.8390e-03 3.3927e-02 -6.0000e+00 6.4248e-01 -1.4903e-01 2.7782e-03 1.8660e-02 -6.0000e+00 3.8375e-01 5.8881e-02 1.3741e-03 6.9911e-03 -6.0000e+00 1.6506e-01 8.7931e-04 -7.9064e-04 3.5510e-05 7.9632e-05 -6.0000e+00 1.1344e-02 4.9287e-03 -5.5476e-05 11 8 0 10 0 0 1.13 21.01 0.38 0.00493 -0.00101 273 64 1 5 0 177.790 25.58 20.01 21.01 13.93 3.7 934.31 -154377 -123568 -133634 -133099 -144582 -155830 -143952 -130174 -131823 -120787 -118042 -118522 -100137 -71775 -48378 -38008 -37357 -34806 -33679 -23086 -18143 -30485 -15603 -27767 -27847 -20144 -27032 -20266 -21659 -18258 -15763 -14267 -1196 -3337 -6118 -10460 -8570 -3480 -3351 5014 2299 4672 -53 4724 3370 4753 4233 4795 4962 2917 3357 5776 5624 6492 4072 4899 3059 985 2301 1033 2862 2840 4042 5104 3379 2511 2227 1453 2159 2279 932 609 775 507 255 -1012 -1223 -1908 -2356 -1517 -1324 -974 -2099 -1907 -1117 -1366 47 161 346 525 425 343 -577 -348 -523 -381 -287 42 224 -257 -527 -1159 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