File name: Pandora32s1_GreenbeltMD_20231106_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231107T054811.7Z 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 v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20231106_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: 20231106 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 20231106T122440.4Z 8710.517134 270 1 48.44 2 82.90 117.26 22.80 191.38 0.00 1 0.00 1 0 17 3.307e-01 3.560e-02 1.593e-01 1.574e-02 7.654982e-01 8.421731e-03 9.371945e-03 -6.000000e+00 1.864112e-01 224.36 -2.00 3.47 -2.00 321.55 0.00e+00 7.898513e-03 3.172881e-03 5.251837e-03 -6.000000e+00 8.314842e-03 282.60 -2.00 20.00 -2.00 320.96 0.00e+00 7.440 0.007 302.00 328.00 3 2.1247e+00 2.7297e-02 8.5525e-02 -6.0000e+00 4.5971e-01 1.1918e+00 3.2106e-02 4.4266e-02 -6.0000e+00 4.9982e-01 -1.6047e+00 1.9720e-02 2.1256e-02 -6.0000e+00 2.9858e-01 6.5294e-01 1.0507e-02 6.4860e-03 -6.0000e+00 1.2826e-01 1.8185e-05 -9.2993e-04 4.2409e-04 1.5702e-04 -6.0000e+00 8.8020e-03 9.3048e-03 -9.3507e-05 12 8 8 10 0 0 74.13 20.92 2.16 0.00930 0.00232 17 4 1 5 0 2848.900 25.58 20.00 20.92 10.98 3.7 917.23 45830 -5144 61478 -34071 -4340 -64808 -6134 11064 -27133 -36888 -61007 -52199 -3520 5588 91403 29293 44773 773 32247 177818 25414 11970 14239 32625 31702 756 78941 -56628 -20494 -62149 -24379 -12588 7327 49446 -13192 31888 -26834 -14787 -7024 34179 55207 25008 155832 47026 63153 33422 40813 57725 26792 63573 4375 45242 67394 34640 33828 33876 32784 10244 4385 1466 -5361 18095 2949 29504 -4008 25287 18307 -7736 14221 26462 11193 -4908 5242 24209 -2915 -3009 -9772 -3848 -13443 -13593 -1776 5812 3124 385 4083 -1175 8464 3252 -2015 5736 -3925 -4712 296 -6859 -3034 -1391 1264 757 -11296 -2106 -140 -4588 -6828 -4354 -4801 -4101 -1032 -3294 946 -2394 -1271 2027 -139 732 808 261 -1250 135 2552 -2426 2614 3542 6105 2946 712 371 1518 2813 -1398 2711 1285 -1556 -800 297 3268 -856 522 -3303 788 889 -258 -755 -1925 2559 -524 3175 -4090 -315 -7146 -342 510 -1818 -2626 -5194 -4080 -197 351 2934 2003 2812 78 2385 3276 1844 902 974 2004 1947 62 2788 -6481 -1668 -7729 -2358 -1276 686 3188 -1479 2056 -3090 -1657 -841 3096 4407 2803 4785 4260 4751 3335 3760 4520 2920 4978 665 5001 6415 4840 4934 4993 4882 1856 794 259 -1004 2862 611 5300 -1083 5047 3794 -2102 3340 6257 3403 -1823 1730 6170 -877 -799 -2535 -939 -4004 -4842 -668 2338 1434 193 2088 -671 4613 1927 -1259 3214 -2272 -2568 147 -3760 -1798 -955 995 634 -11967 -2105 -130 -4423 -6027 -3650 -4305 -3910 -1009 -3223 981 -2934 -1751 2951 -213 1098 1161 363 -1764 197 3861 -4046 4134 5335 8581 4157 996 505 1975 3725 -2193 4733 2554 -3445 -1863 731 8375 -2219 1370 -9110 2086 2272 -679 -1850 -4527 SS 20231106T123527.1Z 8710.524619 273 1 9.37 2 81.06 119.10 23.35 197.71 0.00 1 0.00 1 0 17 5.348e-01 3.798e-02 3.134e-01 2.506e-02 6.791314e-01 1.325369e-02 8.164765e-03 -6.000000e+00 3.025592e-01 224.36 -2.00 3.47 -2.00 321.20 0.00e+00 5.514335e-03 5.417932e-03 4.132973e-03 -6.000000e+00 1.357210e-02 282.60 -2.00 20.00 -2.00 320.62 0.00e+00 6.091 0.004 302.00 328.00 3 2.9188e+00 4.3096e-02 7.1328e-02 -6.0000e+00 7.4663e-01 7.2905e-01 5.1812e-02 3.9768e-02 -6.0000e+00 8.1261e-01 -1.1186e+00 3.5816e-02 1.9336e-02 -6.0000e+00 4.8459e-01 4.8754e-01 1.8085e-02 5.6310e-03 -6.0000e+00 2.0873e-01 3.4177e-05 -8.8396e-04 6.9367e-04 1.2223e-04 -6.0000e+00 1.4283e-02 8.4004e-03 -6.5472e-05 12 9 9 12 1 1 999.00 20.93 1.03 0.00840 0.00176 2 4 1 5 0 3122.180 25.58 20.01 20.93 11.42 3.7 919.54 1033 -21206 -14154 -70028 165967 -93787 -12388 -102963 -58285 -74510 69664 -64426 35401 900000 141671 34441 19647 60067 352802 12055 130803 7863 900000 -57513 251638 33160 -14412 22116 38396 -45916 900000 -14332 900000 -30579 39021 38999 58214 33066 -19616 58318 22973 9131 57614 47803 52219 70174 145847 34494 35699 27988 11230 41036 43140 66221 16153 9860 14830 15304 37712 17279 13570 -265 16247 19394 -6002 44640 5765 24672 9290 7953 15427 -2119 14423 -6936 1653 -5132 3280 -4197 -13561 -3761 -11710 -3997 4348 -6669 7094 -3950 8669 -1474 -4697 -2930 -1317 -49 -3153 -5290 -353 -5097 1976 -6700 4036 -3333 -1181 -1699 -4991 -1435 -1818 -2358 -5350 -3778 1856 -2839 -2667 837 1061 -1958 -797 818 -2142 1557 -503 921 3713 1502 4916 3257 2570 1055 2226 1353 2345 2072 1355 626 315 -610 2312 -691 143 -1937 -361 -596 412 -324 -3393 44 -1250 -792 -6222 4053 -7723 -444 -9037 -3473 -5221 1701 -4043 979 900000 3460 1637 1171 2527 8617 828 3195 517 900000 -6864 6146 1703 -1138 1154 1610 -4364 900000 -1314 900000 -3922 2448 2260 2838 2294 -2634 4305 2621 1250 5092 4666 4845 5450 5474 3796 3978 3471 1759 5303 5906 7726 3166 2095 3045 3088 5897 3149 2563 -61 3568 4649 -1947 8902 1604 5773 2694 2648 5297 -893 5208 -2896 583 -1735 940 -1280 -4893 -1454 -5695 -2062 2289 -4117 4074 -2661 5471 -1056 -3475 -2084 -872 -30 -1906 -3307 -232 -4016 1677 -6974 4224 -3822 -1276 -1687 -4648 -1276 -1720 -2387 -5835 -4313 2185 -3854 -3998 1297 1678 -3123 -1208 1179 -3155 2307 -799 1508 5970 2396 7366 4832 3735 1508 3055 1899 3590 3561 2550 1253 661 -1348 5272 -1684 352 -4897 -907 -1462 954 -717 -7384 SS 20231106T124653.5Z 8710.532563 278 1 30.72 2 79.13 121.09 24.17 204.09 0.00 1 0.00 1 0 17 3.484e-01 1.296e-02 8.446e-02 4.371e-03 5.978108e-01 2.270643e-03 7.136160e-03 -6.000000e+00 1.964208e-01 224.36 -2.00 3.47 -2.00 320.77 0.00e+00 3.798454e-03 9.317657e-04 2.964274e-03 -6.000000e+00 8.761005e-03 282.60 -2.00 20.00 -2.00 320.17 0.00e+00 5.110 0.002 302.00 328.00 3 2.4438e+00 7.1401e-03 6.0032e-02 -6.0000e+00 4.8439e-01 1.3586e-01 9.0996e-03 3.4288e-02 -6.0000e+00 5.2663e-01 -2.5571e-01 8.2335e-03 1.8079e-02 -6.0000e+00 3.1459e-01 1.0822e-01 4.0849e-03 5.6511e-03 -6.0000e+00 1.3515e-01 1.6269e-04 -7.1704e-04 1.2162e-04 8.8436e-05 -6.0000e+00 9.2729e-03 9.6790e-03 -4.2756e-05 12 9 9 12 1 1 99.94 20.94 0.55 0.00968 0.00429 37 14 1 5 0 808.190 25.58 20.00 20.94 11.63 3.7 920.80 -115381 -140087 -124913 -64362 -133384 -95703 -108075 -95058 -92379 -126661 -87709 -118011 -48878 -67314 -1386 -1639 -55373 2567 -19921 -7430 -13071 -33069 18668 -41057 5810 -32165 15722 -14280 -15603 -15485 -18749 -4008 -2619 4702 -5656 -14348 8058 -3242 12394 7523 4416 1495 -4764 18241 4939 18861 10061 13218 11046 -2099 9536 7127 11210 8141 6227 7728 1199 3806 3086 4896 4997 864 6828 2187 5032 1567 2364 3364 460 5377 759 2138 1864 1344 -159 -2822 -1105 -5611 -2503 -1759 -2102 -840 -2739 -1131 -1023 -739 1219 -766 549 -1427 18 -570 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