File name: Pandora32s1_GreenbeltMD_20231209_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20240223T220057.8Z 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_20231209_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: 20231209 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 20231209T130809.0Z 8743.547327 170 1 23.05 2 82.13 128.01 55.52 163.08 0.00 1 0.00 1 0 17 3.696e-01 2.611e-02 2.663e-01 1.444e-02 6.821744e-01 7.631458e-03 8.663010e-03 -6.000000e+00 2.072744e-01 223.22 -2.00 3.47 -2.00 321.44 0.00e+00 9.903120e-03 3.482959e-03 6.083122e-03 -6.000000e+00 9.148557e-03 278.96 -2.00 20.00 -2.00 320.93 0.00e+00 6.815 0.005 302.00 328.00 3 2.2099e+00 2.5583e-02 7.9432e-02 -6.0000e+00 5.1050e-01 6.3318e-01 3.1518e-02 4.4033e-02 -6.0000e+00 5.5592e-01 -9.1434e-01 2.5399e-02 2.3186e-02 -6.0000e+00 3.3165e-01 3.9265e-01 1.2553e-02 8.1458e-03 -6.0000e+00 1.4225e-01 3.5438e-05 -1.7647e-03 4.0102e-04 1.9168e-04 -6.0000e+00 9.8320e-03 1.2166e-02 -9.0794e-05 12 9 9 12 1 1 99.98 20.44 0.78 0.01217 -0.00110 12 6 1 5 0 1772.360 25.17 20.00 20.44 5.07 3.8 883.84 -36060 -85268 -69242 -107899 47398 -81388 -11258 -143154 -59460 56101 -139491 -77256 -38532 -48366 36829 -31542 236 -34517 15012 -13614 -18422 42008 -21622 17830 -12961 185148 78969 -17224 31075 2168 91641 38952 43960 -78 -22605 62085 784 35053 -5273 34227 62462 9528 33055 28129 53969 51539 29350 77141 17056 32500 19512 31892 27612 31835 21738 22301 30482 4685 8311 10646 2692 11725 6061 13860 2204 26530 27651 13266 13682 14664 7633 -2083 4205 4837 -3336 3128 -5060 1525 -4282 -7648 -2825 -3247 -3594 -5506 1181 -3417 -2349 1818 -2476 -666 -793 -5793 478 -7973 -2300 -5468 -992 -1352 -114 -718 -966 -1717 -6278 -2292 -1632 -2894 -700 -1220 1189 -1422 79 1719 -1205 1381 690 -816 -209 -801 2545 -259 2307 995 2667 891 2138 787 2031 1178 -206 1153 1575 -1270 -3 -471 1449 -743 -219 -371 78 393 -623 -644 -1538 -880 -3879 -2836 -6096 668 -2733 -183 -8454 -1638 790 -8159 -2590 -1066 -1882 786 -1544 10 -2072 592 -715 -1005 1219 -1112 632 -626 2608 1559 -824 903 86 1771 1497 1858 -5 -1859 2125 49 1769 -456 2357 3645 971 2802 2556 3870 3822 2732 4660 1881 3233 2370 3802 3709 4387 3450 3587 4605 889 1474 1787 493 2127 1306 3137 598 5723 5730 3174 3494 4209 2594 -811 1541 1675 -1147 912 -1466 413 -1337 -2905 -1203 -1585 -1942 -3215 687 -2197 -1574 1215 -1731 -448 -506 -3639 271 -4940 -1492 -4206 -846 -1323 -122 -797 -1033 -1684 -5842 -2022 -1514 -2894 -722 -1343 1392 -1895 115 2647 -1945 2145 1034 -1194 -303 -1215 3957 -431 3776 1601 4090 1354 3129 1132 2804 1669 -325 2027 3020 -2648 -6 -1070 3430 -1872 -562 -965 202 996 -1518 -1485 -3433 SS 20231209T131916.3Z 8743.555049 173 1 48.52 2 80.45 129.96 55.01 166.23 0.00 1 0.00 1 0 25 3.782e-01 1.075e-02 5.151e-02 2.369e-03 6.110397e-01 1.229813e-03 7.073183e-03 -6.000000e+00 2.121811e-01 223.22 -2.00 3.47 -2.00 320.81 0.00e+00 4.758457e-03 5.090549e-04 1.653083e-03 -6.000000e+00 9.363913e-03 278.96 -2.00 20.00 -2.00 320.27 0.00e+00 5.745 0.003 302.00 328.00 3 1.1959e+00 3.8395e-03 6.4706e-02 -6.0000e+00 5.2259e-01 1.3740e-01 4.9473e-03 3.2168e-02 -6.0000e+00 5.6904e-01 -2.1976e-01 4.7660e-03 1.8161e-02 -6.0000e+00 3.3947e-01 9.0513e-02 2.3679e-03 7.1980e-03 -6.0000e+00 1.4566e-01 3.0933e-04 -1.1284e-03 6.5574e-05 9.0680e-05 -6.0000e+00 1.0063e-02 9.0214e-03 -1.5521e-04 12 8 8 10 0 0 99.94 20.45 0.48 0.00902 0.00054 110 26 1 5 0 441.080 25.17 19.99 20.45 5.49 3.8 886.62 -163768 -116917 -98427 -126010 -99179 -151013 -94051 -141716 -121167 -84215 -120574 -74333 -105932 -59126 -37058 -39668 -23545 -28555 -4262 -12208 -19409 -24823 -20895 -17244 -21780 -5556 -14599 -24549 -23611 -26683 2616 -14285 7332 -8797 -5141 -7838 -12466 3405 -4287 12474 2579 4703 2604 7369 9177 6355 5703 9336 5546 3717 4084 9201 4176 6722 5591 3762 4810 1253 3996 1150 3318 3437 3974 6106 2598 2936 2257 1805 3117 2009 2707 459 1402 925 -1037 -871 -2090 -2446 -3707 -1854 -1811 -1588 -2235 -2195 -246 -1292 315 164 188 865 -101 274 -1155 -1182 -771 -787 153 170 145 -742 -420 -1231 -1016 -391 -1748 -1399 -910 -705 -12 1 668 179 214 98 24 353 17 411 -36 51 296 476 1235 299 808 532 71 790 300 439 215 197 -238 -117 212 -243 -80 -99 10 -12 -197 -163 -741 -3443 -1864 -1433 -2416 -1329 -3175 -1152 -3110 -2435 -1265 -2702 -1133 -2717 -1229 -788 -1054 -609 -858 -109 -358 -632 -849 -695 -590 -840 -193 -567 -1032 -960 -1165 99 -769 373 -579 -321 -482 -847 230 -347 1027 268 519 310 867 1077 785 726 1178 756 545 654 1567 824 1405 1258 897 1172 318 962 278 801 900 1176 2006 953 1065 797 646 1191 820 1230 226 686 435 -459 -346 -840 -973 -1490 -862 -994 -999 -1570 -1517 -178 -1009 256 139 161 715 -79 216 -874 -899 -592 -698 156 184 174 -928 -497 -1329 -1069 -402 -1950 -1546 -1054 -869 -16 2 1026 295 357 159 36 515 25 619 -57 86 504 786 1947 462 1197 761 105 1178 466 774 393 384 -489 -239 462 -565 -192 -227 24 -28 -444 -345 -1512 SS 20231209T132826.1Z 8743.561414 178 1 48.69 2 79.10 131.61 54.66 168.86 0.00 1 0.00 1 0 25 2.546e-01 7.254e-03 2.985e-02 1.466e-03 5.564364e-01 7.487667e-04 6.373772e-03 -6.000000e+00 1.428418e-01 223.22 -2.00 3.47 -2.00 320.37 0.00e+00 2.726172e-03 2.732337e-04 6.593774e-04 -6.000000e+00 6.303125e-03 278.96 -2.00 20.00 -2.00 319.81 0.00e+00 5.097 0.002 302.00 328.00 3 1.0268e+00 2.2297e-03 5.7486e-02 -6.0000e+00 3.5181e-01 5.8934e-02 2.7880e-03 2.8586e-02 -6.0000e+00 3.8304e-01 -9.9218e-02 2.5870e-03 1.5103e-02 -6.0000e+00 2.2851e-01 3.6410e-02 1.3165e-03 5.4144e-03 -6.0000e+00 9.8077e-02 7.1597e-04 -7.5853e-04 4.0855e-05 5.8544e-05 -6.0000e+00 6.7718e-03 7.5659e-03 -1.2792e-04 11 8 0 10 0 0 99.02 20.46 0.43 0.00757 0.00187 202 47 1 5 0 240.990 25.17 20.00 20.46 6.07 3.8 890.25 -84444 -84788 -90684 -94352 -83907 -96062 -79135 -72475 -79068 -53807 -81245 -72833 -52137 -38309 -22482 -26355 -16748 -21184 -12848 -6682 -10881 -8221 -9102 -14917 -9367 -10485 -7508 -11535 -13360 -10685 -5154 -5176 1618 1999 -4989 -3594 -5622 -2124 -1088 1111 2829 2572 435 1629 3408 2667 2588 3560 1494 1599 2417 3481 4151 4216 3738 1879 1988 401 243 1394 1961 2340 2547 3469 1958 1390 902 412 604 1346 575 420 165 411 -340 -931 -1438 -2239 -2133 -1418 -1476 -1048 -2185 -1885 -854 -783 186 340 185 784 444 777 -255 -164 -201 -141 174 581 259 -343 -409 -810 -1130 -240 -729 -1277 -629 -572 33 220 328 477 158 460 51 182 117 150 -59 -55 -160 258 451 311 452 418 -13 763 145 75 321 -242 -10 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