File name: Pandora32s1_GreenbeltMD_20250729_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20250730T052902.8Z 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 v1.8.75 Instrument operation file used: Pandora32_OF_v2d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20250729_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: 20250729 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 20250729T105140.2Z 9341.452548 55 1 48.50 2 82.55 72.03 133.98 45.91 0.00 1 0.00 1 0 25 4.825e-01 3.092e-02 3.064e-01 1.362e-02 7.951044e-01 7.741123e-03 8.764747e-03 -6.000000e+00 2.838098e-01 232.22 -2.00 3.47 -2.00 321.88 0.00e+00 -7.799484e-03 4.181023e-03 3.275287e-03 -6.000000e+00 1.323951e-02 290.53 -2.00 20.00 -2.00 321.32 0.00e+00 7.133 0.006 302.00 328.00 3 2.3165e+00 2.9976e-02 8.6017e-02 -6.0000e+00 7.0964e-01 8.2453e-01 3.9056e-02 5.6553e-02 -6.0000e+00 7.6684e-01 -1.2645e+00 2.9540e-02 2.1349e-02 -6.0000e+00 4.5881e-01 5.2771e-01 1.3870e-02 1.0685e-02 -6.0000e+00 1.9668e-01 2.1399e-05 -1.8228e-04 3.8073e-04 9.9892e-05 -6.0000e+00 1.3108e-02 6.1468e-03 -6.3608e-05 12 9 8 11 8 0 -10.40 22.38 1.87 0.00615 0.00478 19 4 1 5 0 2552.270 27.05 20.01 22.38 29.55 6.4 1031.32 900000 -17794 41769 -53477 -118559 -5374 175060 144864 -131972 -47189 -23135 -106547 15442 900000 -382 900000 -198 18433 94327 900000 -57055 -5332 29582 12038 56234 -49260 900000 -2391 223702 -75297 92196 -12962 21829 -16461 -21571 105967 -60726 26960 390 87970 44740 61789 100275 135613 38094 54688 113307 900000 80233 66174 5940 108560 77191 20054 34413 22891 30389 38597 40653 38084 28281 16345 11293 15353 12467 5068 -5366 20954 21415 23311 6584 5518 10458 9338 8201 10259 -3445 2812 -1355 1796 -1185 2171 5063 -2881 5983 -2126 -1830 -2670 -3666 573 3296 10808 -8478 -577 -2269 -14037 -3991 1034 -2747 -6146 1755 -3709 -6911 -859 -3556 -3252 -2489 1357 -916 -2602 715 829 -120 160 1614 -400 -2031 -1145 1282 50 -632 1213 3431 4419 1946 -504 -788 337 -164 1528 2552 3187 -1136 1182 -1129 1434 1307 -2464 -38 -877 741 122 -2753 900000 -429 554 -1677 -6007 -78 2323 1922 -8438 -1366 -530 -5784 279 900000 -11 900000 -7 556 1366 900000 -3648 -193 749 392 1289 -3387 900000 -92 2969 -5269 1468 -626 927 -993 -1431 1828 -5201 1216 28 3152 2791 3444 3859 3599 2578 3048 3458 900000 3514 3513 631 4610 4917 2448 3882 3038 3871 4507 4424 3993 3190 2191 1783 2628 2366 1029 -1182 3643 4064 5011 1870 1670 2998 2553 2057 2233 -786 601 -333 508 -410 844 1949 -1289 2613 -1075 -973 -1482 -2056 299 1571 4934 -4122 -294 -1202 -9805 -2956 845 -2608 -6243 1573 -3168 -5494 -630 -2866 -2801 -2249 1267 -966 -3186 964 1221 -184 242 2324 -565 -2916 -1702 1977 81 -1040 1884 4995 6200 2716 -699 -1059 462 -256 2719 4626 6224 -2463 2685 -2828 3717 3486 -6921 -104 -2343 1819 279 -6162 SS 20250729T110229.9Z 9341.460069 58 1 48.69 2 80.54 73.64 132.52 48.88 0.00 1 0.00 1 0 17 4.586e-01 1.542e-02 1.306e-01 4.363e-03 6.863931e-01 2.370642e-03 8.155175e-03 -6.000000e+00 2.663295e-01 232.22 -2.00 3.47 -2.00 321.29 0.00e+00 5.752310e-03 1.176584e-03 3.876401e-03 -6.000000e+00 1.192715e-02 290.53 -2.00 20.00 -2.00 320.66 0.00e+00 5.789 0.003 302.00 328.00 3 2.0086e+00 8.3773e-03 6.9710e-02 -6.0000e+00 6.6730e-01 2.6429e-01 1.1089e-02 4.1300e-02 -6.0000e+00 7.2021e-01 -4.6207e-01 9.7590e-03 2.1276e-02 -6.0000e+00 4.2960e-01 1.9713e-01 4.6732e-03 6.5034e-03 -6.0000e+00 1.8305e-01 1.1733e-04 -9.7347e-04 1.1942e-04 1.1962e-04 -6.0000e+00 1.2229e-02 5.4455e-03 -1.1438e-04 12 8 8 10 0 0 8.43 22.46 0.80 0.00545 -0.00187 54 13 1 5 0 901.480 27.15 20.01 22.46 30.27 6.4 1035.14 55726 -147333 -170065 -125434 -179387 -162117 -129323 -149905 -128549 -137520 -144545 -147956 -51373 -68178 -95249 -28424 -74891 20017 -5531 1409 -29528 -51285 15706 -58394 8206 8825 2980 -6356 -43466 -14159 -27208 -13963 3363 -23026 130 -27652 -6682 -4694 5082 23344 1691 21984 -5557 31088 22562 12767 24816 10953 7382 5234 13258 18921 11947 16602 11648 14201 7899 6809 8331 4062 11524 2470 9530 9091 7993 4335 -1810 9155 1440 7124 1352 4094 3848 697 3051 -1233 -3623 -1342 -3148 378 -1438 607 -1540 -1066 1235 -1634 -87 -1251 -185 841 601 2156 -2958 -1337 -2191 -2999 -2016 -532 -559 -1507 -581 -1718 -1424 -1165 -1579 -1694 -2112 -670 -1095 312 328 25 260 113 150 54 264 220 -159 915 -8 1010 944 1256 1223 742 455 940 568 573 557 599 -209 171 -280 626 4 -572 4 -423 15 -723 -771 237 -2884 -4144 -2135 -4732 -3311 -1926 -2998 -2297 -2867 -3321 -3777 -612 -1247 -2918 -544 -2613 298 -115 29 -842 -1789 281 -2311 178 199 72 -165 -1590 -404 -1030 -564 134 -1323 6 -1553 -318 -254 303 1391 142 1637 -575 2302 1843 1173 2069 1081 788 606 1557 2359 1764 2543 1816 2247 1372 1198 1405 696 2045 473 1935 2113 2040 1147 -496 2281 421 2268 512 1601 1514 270 1061 -401 -1107 -397 -1040 143 -659 315 -911 -672 810 -1082 -60 -910 -134 589 398 1430 -1964 -883 -1480 -2377 -1849 -556 -653 -1697 -671 -1812 -1352 -1080 -1568 -1805 -2386 -798 -1320 418 493 40 431 184 232 80 388 338 -260 1564 -14 1678 1506 1937 1821 1071 633 1327 898 963 1041 1203 -446 360 -635 1498 10 -1450 11 -1046 35 -1581 -1725 SS 20250729T111143.7Z 9341.466478 63 1 48.52 2 78.82 75.01 131.23 51.30 0.00 1 0.00 1 0 17 3.303e-01 8.103e-03 1.022e-01 2.205e-03 6.124164e-01 1.170163e-03 6.987997e-03 -6.000000e+00 1.918709e-01 232.22 -2.00 3.47 -2.00 320.73 0.00e+00 3.222627e-03 4.951797e-04 1.568487e-03 -6.000000e+00 8.591647e-03 290.53 -2.00 20.00 -2.00 320.02 0.00e+00 4.973 0.002 302.00 328.00 3 1.7390e+00 3.8092e-03 5.9123e-02 -6.0000e+00 4.8074e-01 6.5808e-02 4.9439e-03 3.3067e-02 -6.0000e+00 5.1882e-01 -1.4469e-01 4.4541e-03 1.7284e-02 -6.0000e+00 3.0948e-01 5.5543e-02 2.1973e-03 5.6573e-03 -6.0000e+00 1.3190e-01 3.6159e-04 -5.1620e-04 6.0635e-05 6.8511e-05 -6.0000e+00 8.8078e-03 4.5342e-03 -9.4787e-05 11 8 0 10 0 0 -31.85 22.56 0.57 0.00453 0.00066 107 25 1 5 0 453.420 27.26 20.02 22.56 30.89 6.5 1038.93 45027 -128420 -123954 -115956 -128314 -115543 -72349 -124151 -81972 -87416 -110398 -89063 -56715 -37410 -60877 -25040 -39087 -19872 -12530 -5376 -24495 -22035 -1137 -23449 -212 -12453 -7177 -17061 -32793 -27259 -9724 -8078 6614 -5810 1545 -7276 -17085 -4204 -8111 5180 3018 4427 -6614 4324 2115 2357 4458 6191 1043 -1681 1742 7467 4745 4847 4291 2511 1402 326 2209 674 2768 2965 3628 4308 3562 1484 134 1524 1390 1352 1761 763 908 640 -84 -173 -1359 -1160 -2238 -708 -1555 -677 -2522 -2047 14 -633 96 314 433 655 350 1242 -328 -542 -403 -1009 -277 251 -53 -589 -496 -1307 -924 -21 -1220 -1440 -889 -170 -105 290 191 320 442 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