File name: Pandora32s1_GreenbeltMD_20240711_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240712T052305.8Z 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 v1.8.59 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20240711_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: 20240711 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 20240711T103727.8Z 8958.442683 57 1 48.89 2 82.85 67.40 133.92 26.12 0.00 1 0.00 1 0 25 3.393e-01 2.123e-02 1.339e-01 7.048e-03 8.568258e-01 3.929406e-03 9.766300e-03 -6.000000e+00 1.972885e-01 232.69 -2.00 3.47 -2.00 321.92 0.00e+00 2.356549e-03 2.163080e-03 4.882857e-03 -6.000000e+00 8.798414e-03 289.91 -2.00 20.00 -2.00 321.37 0.00e+00 7.386 0.007 302.00 328.00 3 8.7863e-01 1.5309e-02 8.9820e-02 -6.0000e+00 4.9501e-01 9.4161e-01 1.9685e-02 5.5254e-02 -6.0000e+00 5.3421e-01 -1.3475e+00 1.4853e-02 2.5571e-02 -6.0000e+00 3.1839e-01 5.4944e-01 7.1011e-03 6.6114e-03 -6.0000e+00 1.3537e-01 6.2726e-05 -1.5309e-03 1.8346e-04 1.2573e-04 -6.0000e+00 9.0490e-03 8.9972e-03 -9.3488e-05 12 8 8 10 0 0 31.89 21.90 0.82 0.00900 -0.00251 56 13 1 5 0 872.870 26.21 20.00 21.90 28.98 4.8 1031.18 5170 -76667 -64758 -72264 -105886 -85353 -81175 -42461 -111700 -88212 -114195 -108592 -3333 -52451 10768 -49950 12008 155 -12929 71220 3230 -28778 -10751 -15075 -30579 -7159 65502 -48668 -17853 -71596 -26485 -37054 -16436 26176 -9950 53976 -42269 -5552 -16304 36695 94227 31888 19208 30182 69215 33663 24266 61338 7595 7992 20494 50910 31203 31946 43976 9808 26732 17833 33180 17772 13534 22841 16313 24167 15126 17302 13810 10745 12452 12641 13269 9569 13177 13823 410 5311 -7634 -1668 708 280 5051 -1728 2780 -1559 4225 1477 -1704 -905 -343 1669 -588 2031 -3936 -4359 -3004 -3179 -3065 -1162 -3243 -3131 -2263 -2307 -3801 -3149 -3510 -3636 -1676 -1664 -1259 -2348 56 -189 272 54 -339 -192 -896 -45 830 808 925 1752 3340 2149 1617 1245 877 1912 -457 1158 824 -60 527 -198 151 315 420 -195 -45 -185 -413 -903 -1578 68 -2587 -1983 -2212 -3837 -2187 -1927 -788 -3978 -2535 -4210 -3935 -55 -1766 237 -2154 338 5 -515 1224 107 -1226 -369 -559 -1387 -261 1126 -2442 -614 -4281 -1165 -2190 -915 1026 -533 1410 -2934 -301 -1177 1841 2979 1994 1399 1971 2997 2059 1634 2909 642 714 1775 3639 2981 3272 4232 1375 3234 2329 3535 2089 1637 2684 2321 3638 2724 3068 2496 2061 2567 2725 3175 2499 3293 3222 99 1183 -1773 -367 170 74 1524 -651 1126 -708 1924 735 -923 -503 -190 880 -298 943 -1876 -2160 -1663 -2089 -2386 -1039 -3064 -3080 -2113 -2115 -3156 -2512 -2985 -3319 -1587 -1698 -1301 -2824 76 -282 421 83 -508 -276 -1302 -67 1319 1346 1528 2750 4921 3114 2288 1716 1175 2616 -731 2133 1591 -128 1192 -484 397 815 1117 -527 -123 -484 -1088 -2205 -3667 SS 20240711T104811.6Z 8958.450134 60 1 48.54 2 80.92 68.98 133.02 29.45 0.00 1 0.00 1 0 25 5.444e-01 1.296e-02 1.342e-01 3.644e-03 7.404687e-01 2.004467e-03 8.476402e-03 -6.000000e+00 3.166309e-01 232.69 -2.00 3.47 -2.00 321.41 0.00e+00 2.475405e-03 1.037000e-03 3.598229e-03 -6.000000e+00 1.411976e-02 289.91 -2.00 20.00 -2.00 320.80 0.00e+00 6.002 0.004 302.00 328.00 3 1.3705e+00 7.2477e-03 7.3349e-02 -6.0000e+00 7.9445e-01 2.5797e-01 9.9973e-03 4.5454e-02 -6.0000e+00 8.5730e-01 -4.0792e-01 9.3187e-03 2.2268e-02 -6.0000e+00 5.1097e-01 1.6702e-01 4.3686e-03 5.9663e-03 -6.0000e+00 2.1729e-01 1.7050e-04 -7.3728e-04 9.7587e-05 9.6168e-05 -6.0000e+00 1.4519e-02 8.5308e-03 -6.2578e-05 12 9 8 11 8 0 90.45 21.92 0.52 0.00853 0.00299 94 22 1 5 0 516.280 26.21 20.00 21.92 29.28 4.7 1031.95 -204228 -152926 -206354 -163417 -128119 -149454 -189443 -170703 -150684 -172679 -175154 -174565 29255 -92488 -89930 -69463 -67124 -17532 -21987 -22505 -51121 -48883 -29431 -56676 -30198 -25505 33788 -40525 -39586 -49418 -34227 2066 9267 -13948 -4733 -21922 -8684 -6893 -6777 13342 11115 10988 -2692 23449 11566 6034 12738 16280 1761 -1794 9733 22558 10583 12670 11471 11867 7687 8295 10087 6155 4487 6751 8356 12086 7896 4906 5034 4381 2479 3398 2769 3912 2932 2415 919 -331 -2138 -2593 -2065 -2355 -1593 -726 -1789 -1086 -276 -89 -1381 -328 489 913 1092 1546 -1335 -2576 -1701 -1244 -1273 93 -445 -1305 -712 -2315 -1825 -1316 -1290 -1444 -1381 -1049 -330 187 395 749 538 77 363 -169 0 -321 153 207 417 750 877 1097 752 309 310 571 309 458 263 -26 71 60 -124 123 45 35 61 -210 53 -497 -875 -2903 -1739 -4000 -2265 -1138 -1540 -3030 -2548 -2089 -3253 -3548 -3846 104 -1446 -1758 -1358 -1479 -262 -375 -408 -1272 -1181 -596 -1632 -730 -625 468 -1152 -1083 -1563 -1095 57 280 -590 -180 -951 -349 -318 -350 685 672 724 -215 1485 833 468 947 1210 159 -180 969 2237 1316 1691 1664 1802 1264 1364 1584 974 729 1163 1617 2581 1918 1233 1241 1115 705 1017 939 1391 1056 832 294 -105 -634 -772 -676 -846 -678 -355 -990 -640 -172 -59 -986 -241 357 647 727 959 -816 -1626 -1188 -1011 -1120 93 -503 -1537 -795 -2366 -1671 -1172 -1224 -1468 -1481 -1200 -411 244 580 1189 878 124 556 -249 0 -492 248 352 707 1222 1366 1653 1098 438 423 795 485 828 495 -53 153 131 -288 302 114 89 158 -526 124 -1094 -1967 SS 20240711T105918.2Z 8958.457849 65 1 48.53 2 78.89 70.60 131.98 32.79 0.00 1 0.00 1 0 17 3.760e-01 8.321e-03 3.456e-02 1.263e-03 6.330956e-01 6.760885e-04 7.260907e-03 -6.000000e+00 2.186861e-01 232.69 -2.00 3.47 -2.00 320.69 0.00e+00 2.609756e-03 2.823853e-04 1.867263e-03 -6.000000e+00 9.752034e-03 289.91 -2.00 20.00 -2.00 319.99 0.00e+00 5.004 0.002 302.00 328.00 3 6.5478e-01 2.1679e-03 6.0315e-02 -6.0000e+00 5.4870e-01 5.9469e-02 2.8048e-03 3.4856e-02 -6.0000e+00 5.9211e-01 -1.1766e-01 2.5616e-03 1.7691e-02 -6.0000e+00 3.5291e-01 4.4491e-02 1.2663e-03 5.2292e-03 -6.0000e+00 1.5008e-01 1.0048e-03 -6.4780e-04 3.4326e-05 6.9720e-05 -6.0000e+00 1.0028e-02 8.0833e-03 -8.2810e-05 11 8 0 10 0 0 48.56 21.94 0.38 0.00808 0.00322 273 64 1 5 0 177.750 26.21 20.00 21.94 29.26 4.7 1032.17 -153652 -91146 -122161 -97709 -134130 -150159 -100315 -127633 -88077 -117733 -107226 -103053 -90993 -51764 -64351 -28127 -44961 -26160 -25307 -26598 -18278 -31839 -8068 -28628 -19939 -13727 -14664 -10839 -26529 -18118 -14441 -14390 96 -8856 -3949 -11155 -8104 -7139 -4053 3508 175 4729 259 4095 3913 3263 4160 3173 3596 569 3902 4200 3739 5793 4303 4333 3344 1961 2024 1437 2459 2143 3508 4488 2798 1584 1302 1969 825 2237 1187 1134 839 -84 460 -1016 -1858 -2738 -2618 -1517 -1560 -1084 -2012 -1698 -779 -661 31 74 673 623 536 523 -785 -364 -487 -304 -14 269 -44 -559 -386 -1237 -941 -587 -1023 -1408 -757 -416 26 341 360 488 498 277 210 35 280 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