File name: Pandora32s1_GreenbeltMD_20241119_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241120T050125.4Z 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 v1.8.60 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20241119_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: 20241119 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 20241119T124209.7Z 9089.529279 274 1 47.99 2 82.85 122.51 54.94 278.45 0.00 1 0.00 1 0 25 4.351e-01 2.342e-02 2.269e-01 9.638e-03 7.247831e-01 5.108331e-03 8.296830e-03 -6.000000e+00 2.445718e-01 223.52 -2.00 3.47 -2.00 321.66 0.00e+00 4.088850e-03 2.508691e-03 2.832918e-03 -6.000000e+00 1.090243e-02 280.99 -2.00 20.00 -2.00 321.15 0.00e+00 7.401 0.007 302.00 328.00 3 1.6233e+00 1.7833e-02 8.2753e-02 -6.0000e+00 6.0235e-01 7.0930e-01 2.2779e-02 4.0431e-02 -6.0000e+00 6.5574e-01 -1.0384e+00 1.8980e-02 2.1160e-02 -6.0000e+00 3.9134e-01 4.3495e-01 9.1865e-03 6.6994e-03 -6.0000e+00 1.6930e-01 3.6333e-05 -1.5637e-03 2.6916e-04 1.0797e-04 -6.0000e+00 1.1676e-02 6.7126e-03 -1.1858e-04 12 8 8 10 0 0 7.52 20.86 1.41 0.00671 -0.00504 31 7 1 5 0 1547.750 25.79 19.50 20.86 16.19 5.4 957.21 900000 -84490 -39489 -93350 -106701 -74335 -105627 75826 -108576 -70684 -109218 -143632 -38979 -75077 132890 -9260 11576 -567 -988 170340 -24096 38012 78945 -14147 -1004 -29077 53529 -8801 30293 -34094 37508 -12444 189744 91324 -18853 29242 -20549 32044 3526 45342 86039 36255 38224 43153 27288 54703 16742 104475 23668 19462 9417 25705 38017 28394 21929 24345 16395 14243 23083 31375 6342 14359 8126 11447 9294 5905 22674 11425 9944 10626 6913 7290 2329 8606 -6234 -294 -8251 -6602 -4852 -4131 -255 -1895 -1041 -3844 1361 130 -1595 1806 -1285 -603 -2428 3478 -748 -5417 676 -3872 -3411 54 -2245 -1408 -2137 -2108 -3566 -4866 -1025 -3316 -217 -2288 -1873 11 -1833 858 -189 318 -180 396 -683 -1166 783 1256 1203 517 1782 2289 1808 2882 702 2063 -363 867 1400 -176 191 844 748 -498 -238 -1040 270 279 -319 -631 -1934 900000 -3392 -1046 -3987 -4467 -1969 -3700 713 -4359 -1993 -4479 -8589 -966 -3335 1249 -309 381 -20 -41 1601 -1245 1000 1335 -625 -41 -1585 1258 -364 797 -1730 1057 -690 1783 2231 -1329 1182 -1390 1445 252 2514 3557 2623 2802 3041 2231 3393 1526 4025 2113 1902 1106 2850 4073 3602 3132 3500 2604 2289 3254 3892 1007 2253 1535 2377 2140 1404 4432 2534 2420 2946 2222 2236 748 2701 -2068 -82 -2272 -1774 -1409 -1417 -100 -796 -485 -1970 703 73 -957 1086 -801 -364 -1404 1774 -381 -2943 385 -2702 -2783 49 -2359 -1523 -2227 -1982 -3058 -4116 -888 -3158 -212 -2448 -2193 14 -2531 1258 -289 476 -259 593 -1028 -1689 1184 1989 1911 798 2845 3536 2721 4156 998 2961 -551 1501 2699 -374 426 1997 1900 -1255 -615 -2753 709 709 -767 -1534 -4523 SS 20241119T125308.3Z 9089.536901 277 1 48.74 2 81.08 124.40 56.99 279.86 0.00 1 0.00 1 0 17 4.212e-01 1.326e-02 7.650e-02 3.282e-03 6.324725e-01 1.717873e-03 7.503849e-03 -6.000000e+00 2.367167e-01 223.52 -2.00 3.47 -2.00 321.05 0.00e+00 7.044191e-03 7.716572e-04 3.072161e-03 -6.000000e+00 1.051964e-02 280.99 -2.00 20.00 -2.00 320.49 0.00e+00 6.104 0.004 302.00 328.00 3 1.3202e+00 5.6120e-03 6.8942e-02 -6.0000e+00 5.8301e-01 2.2605e-01 7.3357e-03 3.4933e-02 -6.0000e+00 6.3435e-01 -3.3111e-01 6.9144e-03 2.1107e-02 -6.0000e+00 3.7881e-01 1.3413e-01 3.3684e-03 8.8914e-03 -6.0000e+00 1.6283e-01 1.8793e-04 -8.4483e-04 9.0990e-05 1.2490e-04 -6.0000e+00 1.1207e-02 5.6453e-03 -1.4422e-04 12 8 8 10 0 0 10.02 20.95 0.73 0.00565 -0.00070 89 21 1 5 0 547.510 25.90 20.52 20.95 17.01 5.4 961.96 -79097 -130802 -123275 -126912 -156940 -146179 -175015 -122845 -139862 -90898 -132292 -137715 -89126 -77020 40310 -62350 -8112 -8289 -28439 28067 -46093 971 -5255 -25006 -16057 -32841 9405 -32299 -15896 -34225 -4173 -1022 10657 7552 -9137 -2907 -12953 8000 1562 3799 17687 4079 4056 19575 6687 12493 4168 18117 5756 7424 9028 8952 9987 10119 11546 3423 5419 4246 2166 3854 1951 5529 7630 8027 5017 3002 5270 1947 3910 4881 1694 2385 545 2488 -1049 -274 -2277 -2486 -3642 -3405 -1037 -1014 -2387 -2394 -954 -1174 -780 839 -86 273 439 -146 -1450 -2170 -863 -1196 -783 328 -306 -426 -1367 -946 -1487 -1009 -1296 -2297 -749 -942 115 258 28 380 -1 290 165 240 340 67 630 -152 403 737 1212 921 865 852 37 855 437 263 247 -156 123 105 26 -61 -336 92 56 -194 -138 -534 -604 -734 -2470 -2368 -2519 -3818 -2948 -4762 -2163 -3224 -1368 -3091 -3659 -1797 -1800 374 -1976 -171 -194 -883 521 -1844 24 -138 -840 -524 -1325 253 -1292 -529 -1435 -151 -44 474 382 -535 -153 -788 456 115 327 1506 431 412 1942 768 1388 516 2012 685 918 1203 1336 1625 1781 2127 709 1131 897 455 778 409 1218 1874 2233 1556 945 1572 606 1290 1835 737 1090 254 1087 -437 -101 -790 -855 -1385 -1529 -539 -555 -1471 -1575 -658 -868 -609 670 -70 215 325 -101 -967 -1467 -635 -1023 -776 342 -357 -513 -1583 -985 -1525 -1011 -1390 -2461 -833 -1120 148 371 41 609 -2 460 248 343 519 99 988 -254 672 1189 1872 1385 1352 1286 54 1262 671 460 479 -303 250 226 60 -140 -798 221 134 -460 -328 -1197 -1299 SS 20241119T130559.8Z 9089.545831 282 1 25.32 2 79.04 126.68 59.38 281.51 0.00 1 0.00 1 0 25 2.419e-01 7.685e-03 9.961e-02 3.282e-03 5.433942e-01 1.679404e-03 6.235251e-03 -6.000000e+00 1.359739e-01 223.52 -2.00 3.47 -2.00 320.39 0.00e+00 2.229625e-03 6.255381e-04 8.898470e-04 -6.000000e+00 6.041963e-03 280.99 -2.00 20.00 -2.00 319.80 0.00e+00 5.072 0.002 302.00 328.00 3 1.9501e+00 5.0758e-03 5.7009e-02 -6.0000e+00 3.3489e-01 4.5731e-02 6.3515e-03 2.8048e-02 -6.0000e+00 3.6435e-01 -8.0584e-02 5.8388e-03 1.4743e-02 -6.0000e+00 2.1758e-01 2.7191e-02 2.9634e-03 4.9527e-03 -6.0000e+00 9.3545e-02 2.9649e-04 -6.2475e-04 9.2440e-05 5.7066e-05 -6.0000e+00 6.4351e-03 5.1327e-03 -9.6061e-05 12 9 1 12 1 1 99.26 21.08 0.54 0.00513 0.00044 40 19 1 5 0 617.470 26.00 20.32 21.08 18.48 5.4 970.58 38658 -100281 -72058 -65248 -95514 -81850 -100782 -34801 -79559 -65203 -89251 -82537 17265 -47357 1445 -15758 -31119 -8441 -14472 7644 -18574 -9900 -3050 -12355 -5616 -15430 6598 -11121 -10287 -6851 -5084 -20 12865 7154 -9849 -9277 -5866 -2312 202 2893 2168 869 -1072 3943 468 8168 2193 6211 1181 -166 1170 963 4860 3236 3089 -56 1977 -377 2174 2276 530 1975 2542 2512 1699 1506 1681 -1257 81 1804 973 58 -253 838 -897 -1574 -507 -2122 -597 -857 -1690 -992 -2015 -1666 -1271 540 15 50 336 707 268 1017 104 -927 -671 75 -415 1210 -85 109 -231 -1711 -808 -187 -694 -1125 -974 -553 -77 232 331 707 289 305 -28 -66 468 16 351 -230 -117 209 475 226 32 853 107 530 403 147 -134 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