File name: Pandora32s1_GreenbeltMD_20231011_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231012T090344.2Z 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_20231011_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: 20231011 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 20231011T114455.0Z 8684.489526 137 1 47.64 2 84.70 103.48 50.04 112.71 0.00 1 0.00 1 0 25 4.214e-01 3.691e-02 2.247e-01 2.205e-02 9.497435e-01 1.222668e-02 1.105666e-02 -6.000000e+00 2.395167e-01 226.62 -2.00 3.47 -2.00 321.87 0.00e+00 -2.217340e-02 3.864814e-03 3.720190e-03 -6.000000e+00 1.073239e-02 285.71 -2.00 20.00 -2.00 321.23 0.00e+00 9.394 0.014 302.00 328.00 3 4.2875e-01 3.9238e-02 1.1312e-01 -6.0000e+00 5.9308e-01 1.7809e+00 4.6352e-02 8.2581e-02 -6.0000e+00 6.4349e-01 -2.2509e+00 2.6425e-02 2.3547e-02 -6.0000e+00 3.8446e-01 8.5865e-01 1.4988e-02 2.1573e-02 -6.0000e+00 1.6483e-01 1.3258e-05 -3.8876e-04 5.7430e-04 2.4639e-04 -6.0000e+00 1.1223e-02 9.2045e-03 -1.5661e-04 12 8 8 10 0 0 -16.52 21.22 2.13 0.00920 0.00628 24 6 1 5 0 1984.590 25.79 20.00 21.22 15.27 3.6 941.18 247661 39109 57922 -5155 61878 -64439 43058 41820 -9885 23611 -44115 -2622 19346 22483 142179 7740 15584 27225 63529 160603 26588 11977 14740 -21978 73262 26378 24089 31952 4434 -67120 32106 -22821 -2710 68798 -13678 -50235 -67815 2260 -11054 134525 48107 12777 188603 27192 36315 6337 23982 18989 50527 -2369 -16563 23695 72291 40917 25664 13012 17596 -950 44763 2724 12951 11458 -6741 19746 -8540 33061 26698 32206 634 33729 17351 2130 17278 3756 2888 -20726 -33729 4827 -16196 -3363 -6832 5669 1866 3771 22428 6910 8071 14405 -3917 -1807 -699 -12474 -8397 -14317 -2427 971 4024 -588 -3455 2017 106 -6961 -9632 -6856 -3782 -2598 -367 -2792 302 -840 537 -275 1592 1129 1701 542 -1922 9 2720 -1051 -965 -2843 5475 1194 3445 1022 1809 307 1242 2231 714 -2227 -8 -1011 263 855 -128 -2607 1804 942 -864 2033 -2442 5325 4816 5321 -736 3508 -10959 2525 2779 -1217 2169 -7847 -302 1853 2197 4447 968 1797 2714 4222 3767 2183 1030 1210 -2878 4153 2475 2166 2248 338 -9447 1757 -2409 -254 3550 -1337 -6383 -10340 214 -1318 4917 4655 1813 4461 2982 3280 709 2114 1715 3368 -280 -2457 2598 5285 4399 3421 2070 2762 -176 4812 398 1587 1454 -1131 2845 -1744 4407 3731 4432 132 5802 3880 577 3938 904 621 -4902 -8268 810 -3726 -810 -2027 1731 666 1419 7427 2823 3401 5823 -1878 -812 -290 -5498 -3503 -6711 -1158 530 2509 -446 -3023 1726 88 -5553 -7042 -4747 -2708 -1966 -287 -2420 284 -933 619 -356 2125 1523 2221 696 -2532 12 3785 -1579 -1424 -4062 7558 1682 4637 1374 2350 424 1800 3780 1401 -4950 -18 -2595 723 2483 -386 -8122 5352 2704 -2332 4887 -5814 SS 20231011T115704.1Z 8684.497964 140 1 48.70 2 82.42 105.47 47.95 115.44 0.00 1 0.00 1 0 25 4.836e-01 2.034e-02 8.714e-02 3.875e-03 8.137365e-01 2.112157e-03 9.408836e-03 -6.000000e+00 2.749284e-01 226.62 -2.00 3.47 -2.00 321.70 0.00e+00 8.749281e-03 1.137922e-03 2.784267e-03 -6.000000e+00 1.231820e-02 285.71 -2.00 20.00 -2.00 321.16 0.00e+00 7.031 0.006 302.00 328.00 3 3.7227e-01 7.7996e-03 8.1771e-02 -6.0000e+00 6.8076e-01 6.5122e-01 1.0470e-02 4.3785e-02 -6.0000e+00 7.3859e-01 -9.1987e-01 9.1443e-03 2.4786e-02 -6.0000e+00 4.4127e-01 3.8049e-01 4.2789e-03 1.0755e-02 -6.0000e+00 1.8922e-01 1.5625e-04 -1.8987e-03 1.0088e-04 1.6069e-04 -6.0000e+00 1.2880e-02 8.0319e-03 -1.5888e-04 12 8 8 10 0 0 11.85 21.24 0.72 0.00803 -0.00624 111 26 1 5 0 438.720 25.79 20.01 21.24 15.80 3.6 945.35 -164808 -119114 -130228 -143407 -128695 -203535 -63108 -172790 -144247 -159165 -162815 -122467 -128872 -47856 -55346 -42918 -44925 -28864 16986 -1058 -8107 -49534 -10677 -39163 -13749 2670 -36791 -26518 -45771 -31674 -7439 -25322 31247 -754 4551 6952 -5571 39073 -1842 56211 12491 28540 4879 35711 40350 22298 36195 34309 22888 15243 22910 38196 30340 34354 24219 23529 21729 17648 21922 14065 20201 10493 14417 20490 16500 15320 10338 10534 10775 7923 11595 6586 8742 3996 3431 1478 -3778 -903 -4123 495 166 -818 -1305 -2201 -190 -1836 705 667 454 562 -814 -44 -4031 -3037 -4484 -2696 -1678 -2145 -1050 -1832 -1478 -1838 -2752 -1094 -3620 -2334 -2386 -1847 -957 -1079 29 -547 101 152 50 46 -445 300 193 469 789 1580 2226 1574 2068 1297 1514 1252 291 1190 677 467 219 414 263 -66 -247 -304 79 -384 -233 -674 -1524 -4190 -2292 -2998 -3646 -2476 -7342 -596 -4630 -3380 -4451 -4738 -2545 -3555 -778 -1255 -1054 -1290 -774 308 -24 -193 -1703 -242 -1214 -343 58 -1168 -732 -1488 -946 -208 -1053 874 -32 177 247 -229 1166 -99 1997 774 1618 367 2024 2196 1475 2134 2139 1687 1296 1991 3204 3038 3583 2965 2996 2874 2408 2750 1834 2489 1542 2337 3280 3027 2879 2014 2103 2339 2039 3219 2025 2616 1181 924 361 -893 -209 -1102 153 62 -358 -644 -1176 -105 -1102 435 427 293 352 -486 -24 -2246 -1725 -2914 -1868 -1364 -2050 -1120 -2051 -1577 -1768 -2378 -897 -3223 -2197 -2375 -1968 -1118 -1336 41 -845 161 240 76 68 -650 456 311 789 1316 2505 3343 2309 2929 1793 2018 1721 459 2169 1301 978 489 990 631 -167 -649 -809 209 -992 -561 -1611 -3479 SS 20231011T120749.2Z 8684.505431 143 1 48.65 2 80.41 107.25 46.14 118.00 0.00 1 0.00 1 0 25 5.099e-01 1.163e-02 4.301e-02 1.600e-03 6.958727e-01 8.442085e-04 8.018872e-03 -6.000000e+00 2.899098e-01 226.62 -2.00 3.47 -2.00 321.04 0.00e+00 4.988511e-03 3.960819e-04 2.404287e-03 -6.000000e+00 1.298871e-02 285.71 -2.00 20.00 -2.00 320.44 0.00e+00 5.722 0.003 302.00 328.00 3 3.2207e-01 2.8224e-03 6.7451e-02 -6.0000e+00 7.1786e-01 1.7262e-01 3.8045e-03 3.7865e-02 -6.0000e+00 7.7879e-01 -2.4977e-01 3.6491e-03 2.1032e-02 -6.0000e+00 4.6529e-01 1.0133e-01 1.7562e-03 7.5566e-03 -6.0000e+00 1.9955e-01 6.6752e-04 -9.7852e-04 4.2257e-05 9.9361e-05 -6.0000e+00 1.3579e-02 7.4043e-03 -1.3991e-04 12 8 8 10 0 0 41.69 21.28 0.44 0.00740 0.00005 251 59 1 5 0 193.780 25.90 20.00 21.28 16.73 3.6 949.94 -206377 -158714 -134133 -179561 -141579 -212169 -126292 -158364 -142918 -133329 -166840 -115719 -136406 -79222 -75379 -53952 -47321 -54178 -24394 -26985 -22790 -29873 -28871 -25498 -41437 -15009 -27871 -23034 -30012 -32871 -3448 -20308 425 -7672 -1589 -6862 -11250 2169 -5965 9675 3942 6145 3200 3373 11862 4930 7325 6261 6363 6815 3806 12410 7389 9184 7054 5942 7360 2016 5095 1824 4921 4565 5457 7761 4151 5235 3138 2895 3147 2033 2547 1328 1877 1104 5 -501 -2008 -1176 -3371 -674 -1079 -1218 -1927 -2566 -732 -1369 -142 -170 -69 627 -312 224 -799 -1015 -850 -1192 -56 -241 109 -683 -661 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