File name: Pandora32s1_GreenbeltMD_20241208_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241209T093753.0Z 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_20241208_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: 20241208 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 20241208T131233.6Z 9108.550389 58 1 48.67 2 81.42 128.78 137.86 49.98 0.00 1 0.00 1 0 25 6.141e-01 1.508e-02 6.981e-02 2.530e-03 7.749553e-01 1.347114e-03 8.767694e-03 -6.000000e+00 3.449933e-01 223.22 -2.00 3.47 -2.00 321.41 0.00e+00 5.871526e-03 6.694960e-04 1.969983e-03 -6.000000e+00 1.521169e-02 278.96 -2.00 20.00 -2.00 320.93 0.00e+00 6.322 0.004 302.00 328.00 3 4.7722e-01 4.5935e-03 7.4323e-02 -6.0000e+00 8.4972e-01 3.0795e-01 6.4371e-03 4.1619e-02 -6.0000e+00 9.2476e-01 -4.6492e-01 6.6019e-03 2.3875e-02 -6.0000e+00 5.5170e-01 1.9513e-01 3.1225e-03 9.4767e-03 -6.0000e+00 2.3708e-01 3.0200e-04 -1.1809e-03 6.5813e-05 1.2484e-04 -6.0000e+00 1.6330e-02 2.2562e-05 -9.9677e-05 12 8 8 10 0 0 97.59 20.29 0.50 0.00002 -0.00885 168 39 1 5 0 289.640 25.39 19.93 20.29 10.05 5.3 922.38 -194665 -179066 -225341 -166090 -195380 -210856 -189425 -210082 -148849 -186808 -174177 -185150 -131308 -109957 -93943 -48775 -86629 -41335 -37571 -42252 -17173 -69239 -9198 -67317 -23960 -29314 -38740 -25596 -66766 -37479 -34467 -29797 22958 -1332 33 -21900 3394 -8552 4007 24116 5264 15294 -1867 16600 18457 11344 13185 10256 17095 10120 12478 17088 13862 22006 12304 14844 10365 7843 9798 3631 10946 6152 10665 10183 9202 10194 5914 8342 3884 7023 5875 3012 5089 946 1444 -163 -2078 -1639 -3378 -959 -1929 308 -2407 -1786 -704 -1835 633 -634 653 602 -164 1264 -2079 -1678 -2236 -1473 -1260 -845 13 -1015 -622 -1529 -1617 -1402 -2260 -1924 -1568 -1242 -735 -358 -283 78 582 -23 384 53 156 170 30 322 179 903 1249 948 915 688 834 1006 739 849 703 492 -158 129 -103 -171 -301 -160 83 -271 111 -620 -944 -2497 -2430 -4902 -2213 -3181 -3694 -2711 -4043 -1726 -3411 -2922 -3791 -1976 -1790 -1715 -710 -2159 -734 -704 -876 -284 -1896 -138 -1927 -479 -651 -965 -549 -2125 -943 -1003 -1037 566 -47 1 -897 112 -367 185 1101 334 958 -134 1130 1252 845 995 832 1375 853 1142 1694 1583 2537 1678 2064 1558 1212 1439 548 1547 988 1880 2088 2107 2350 1405 1985 1054 2134 2034 1044 1889 347 482 -49 -589 -463 -1077 -358 -801 146 -1317 -1044 -432 -1215 432 -455 465 418 -108 770 -1256 -1032 -1548 -1190 -1105 -860 14 -1215 -709 -1583 -1493 -1243 -2138 -1942 -1663 -1407 -911 -468 -421 127 970 -37 607 81 235 266 50 521 289 1489 1956 1445 1351 985 1148 1412 1174 1460 1361 1036 -333 290 -248 -412 -747 -402 209 -662 269 -1403 -2029 SS 20241208T132805.5Z 9108.561174 63 1 21.14 2 79.12 131.56 135.53 54.15 0.00 1 0.00 1 0 25 3.796e-01 8.383e-03 4.873e-02 1.727e-03 6.472733e-01 8.912868e-04 7.361380e-03 -6.000000e+00 2.132818e-01 223.22 -2.00 3.47 -2.00 320.58 0.00e+00 2.808931e-03 3.548537e-04 9.550828e-04 -6.000000e+00 9.402999e-03 278.96 -2.00 20.00 -2.00 320.05 0.00e+00 5.104 0.002 302.00 328.00 3 4.6756e-01 2.7176e-03 6.0086e-02 -6.0000e+00 5.2531e-01 7.6638e-02 3.5306e-03 3.3467e-02 -6.0000e+00 5.7168e-01 -1.1342e-01 3.5075e-03 1.8071e-02 -6.0000e+00 3.4106e-01 4.2082e-02 1.7541e-03 6.3550e-03 -6.0000e+00 1.4658e-01 1.1022e-03 -7.8694e-04 4.6107e-05 7.0796e-05 -6.0000e+00 1.0094e-02 -3.0878e-04 -8.1943e-05 12 9 1 12 1 1 98.16 20.33 0.41 -0.00031 -0.00622 116 63 1 5 0 180.590 25.39 20.99 20.33 11.38 5.3 930.78 -152608 -84833 -139780 -107263 -127306 -154373 -87005 -147675 -92608 -121544 -98815 -97015 -94218 -30823 -59980 -27592 -38151 -25124 -15624 -25302 -11387 -28285 -10030 -33420 -13828 -19467 -24511 -4522 -25358 -21082 -14644 -6928 5407 -8029 -1472 -12783 -5737 -2314 -2257 3645 -635 4266 341 3620 3501 2645 5564 2238 4469 487 1913 4783 3544 7056 3257 3603 2156 1173 2055 490 3167 2245 3431 3285 2892 2684 828 1924 519 1713 1600 417 1013 -299 374 -1200 -1482 -1621 -2647 -1102 -1639 -601 -1980 -2018 -502 -1058 -58 -59 370 491 62 873 -585 -173 -497 86 267 -75 255 -463 -112 -1017 -817 -323 -877 -1270 -971 -643 -205 126 621 206 492 298 269 251 284 233 -6 -30 -402 420 467 225 560 75 213 851 453 309 224 70 -235 91 -210 -353 -203 9 191 -237 82 -96 -383 -1928 -672 -2143 -1211 -1630 -2444 -733 -2587 -1076 -2088 -1431 -1503 -1746 -395 -1324 -544 -970 -626 -389 -742 -303 -896 -270 -1233 -461 -738 -1012 -151 -1017 -842 -634 -338 277 -478 -82 -765 -337 -153 -184 342 -72 504 44 475 468 364 763 328 669 81 344 941 719 1511 777 899 567 314 534 126 801 619 1062 1162 1118 1041 318 739 218 758 799 224 545 -156 179 -567 -642 -692 -1238 -552 -978 -410 -1417 -1546 -403 -912 -53 -52 325 450 54 699 -450 -133 -421 78 280 -86 321 -608 -140 -1157 -890 -341 -990 -1444 -1158 -814 -280 181 936 336 816 483 413 386 432 368 -10 -50 -677 680 724 359 857 112 302 1213 719 528 402 135 -454 186 -436 -780 -462 20 442 -535 175 -202 -768 SS 20241208T133353.7Z 9108.565205 66 1 48.62 2 78.28 132.62 134.63 55.62 0.00 1 0.00 1 0 25 3.078e-01 7.398e-03 2.039e-02 8.829e-04 6.079959e-01 4.509643e-04 6.973855e-03 -6.000000e+00 1.729925e-01 223.22 -2.00 3.47 -2.00 320.35 0.00e+00 2.768212e-03 1.670804e-04 6.264526e-04 -6.000000e+00 7.625839e-03 278.96 -2.00 20.00 -2.00 319.79 0.00e+00 4.768 0.002 302.00 328.00 3 3.2905e-01 1.3487e-03 5.6160e-02 -6.0000e+00 4.2608e-01 5.4178e-02 1.7036e-03 3.1191e-02 -6.0000e+00 4.6367e-01 -8.3433e-02 1.6214e-03 1.6550e-02 -6.0000e+00 2.7662e-01 3.0253e-02 8.2383e-04 5.9124e-03 -6.0000e+00 1.1890e-01 1.8066e-03 -6.7153e-04 2.3863e-05 6.3024e-05 -6.0000e+00 8.1863e-03 -1.0138e-03 -7.3272e-05 11 8 0 10 0 0 80.57 20.34 0.36 -0.00101 -0.00606 426 100 1 5 0 114.120 25.39 20.40 20.34 11.85 5.3 933.05 -125239 -106624 -100695 -100776 -96088 -114382 -89216 -103591 -87432 -88062 -83324 -72022 -66411 -49207 -36886 -25007 -25755 -20960 -16915 -14139 -13323 -11087 -15588 -18294 -14779 -14491 -12958 -12211 -14418 -16540 -8421 -9223 212 -2662 -6766 -6229 -6159 -2746 -1304 1855 2166 1886 886 1897 2735 2955 1607 2734 1694 2156 2994 3798 3542 3949 2887 2657 2245 1193 850 573 1470 2333 3054 3141 2443 1486 1105 501 875 1287 824 546 284 57 -379 -911 -1421 -1857 -1971 -993 -1174 -1123 -1695 -1932 -1151 -744 -183 101 148 708 364 863 -97 -262 -7 -79 31 229 315 -75 -442 -808 -700 -151 -966 -1412 -865 -626 -153 264 354 419 482 345 208 221 178 166 -119 -82 -260 122 327 264 433 448 131 839 564 247 186 -70 -104 -16 -72 -203 -217 158 5 -151 24 -241 -324 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