File name: Pandora32s1_GreenbeltMD_20250109_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20250110T051935.7Z 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 v1.8.60 Instrument operation file used: Pandora32_OF_v2d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20250109_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: 20250109 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 20250109T130118.9Z 9140.542580 150 1 48.60 2 84.98 123.73 119.50 358.36 0.00 1 0.00 1 0 17 4.567e-01 6.858e-02 2.212e-01 3.068e-02 1.186008e+00 1.734992e-02 1.313251e-02 -6.000000e+00 2.579190e-01 223.75 -2.00 3.47 -2.00 321.27 0.00e+00 -2.362793e-02 3.681076e-03 6.469953e-03 -6.000000e+00 1.125284e-02 276.85 -2.00 20.00 -2.00 320.62 0.00e+00 9.801 0.016 302.00 328.00 3 -1.5628e-01 5.0519e-02 1.2581e-01 -6.0000e+00 6.3696e-01 2.8241e+00 5.8978e-02 1.0117e-01 -6.0000e+00 6.9446e-01 -2.7887e+00 3.2313e-02 2.8700e-02 -6.0000e+00 4.1309e-01 8.9304e-01 1.9099e-02 2.3944e-02 -6.0000e+00 1.7699e-01 8.6145e-06 2.1921e-03 6.8857e-04 2.7010e-04 -6.0000e+00 1.2265e-02 7.6174e-03 -2.2615e-04 12 8 8 10 0 0 8.50 18.60 2.66 0.00762 0.02409 22 5 1 5 0 2208.670 23.93 19.38 18.60 -1.69 5.1 852.43 123494 64706 17304 16265 13193 -53788 85905 -34912 -8547 39493 -14108 15810 -5249 42356 70708 43727 4779 -10490 85351 20317 33530 -14935 24815 -5896 14247 95136 -2219 64307 -53422 -62799 47238 -47337 900000 -24213 -1734 -56721 -29291 3803 -35985 900000 52448 77256 102961 30986 900000 -3191 74907 8996 11778 28368 -28678 88281 22356 120770 16450 23951 64850 13123 66708 -23649 20155 -41865 -20098 -1909 -17708 211983 44442 206986 29978 81305 74631 22950 55995 1573 -41478 -4020 -25625 35795 -36666 -12478 -19296 33722 4791 3435 38641 148 87570 5520 20358 8556 -19916 60764 1885 -14052 18155 5724 25104 1519 28510 -4489 -6414 -6427 -27051 3563 -12943 -1261 -453 -8156 8453 -799 5845 1947 1201 703 3919 2429 -506 572 5058 -5809 6645 -4782 15277 -5168 1845 -4375 -3014 -2520 -3344 5809 294 569 -3178 -2267 1613 -2016 368 -3500 1561 4052 -2592 2895 2714 12759 10482 3925 2959 2045 -12735 5605 -8448 -1720 5047 -3030 2536 -1099 5873 7882 6658 1065 -2624 7658 3149 4011 -2558 2834 -1026 2247 6725 -374 4546 -10022 -12122 3339 -9781 900000 -4279 -217 -10949 -4300 455 -7729 900000 5989 6931 6718 3707 900000 -425 4704 978 1281 2777 -5458 6337 3039 7224 2683 4155 7564 2433 6384 -4809 2411 -9515 -4087 -365 -4237 6340 5715 6190 5290 9726 10267 5354 8875 381 -13149 -745 -5441 4282 -10417 -3359 -6636 7967 1691 1305 10747 62 15714 2245 6880 3045 -8696 11267 637 -6136 6787 2910 12463 1113 17735 -3947 -5351 -4671 -21034 1961 -8864 -811 -305 -6464 6522 -808 6521 2307 1521 908 5286 3247 -703 819 7246 -8528 9022 -6736 16631 -6754 2202 -5417 -3623 -3286 -5310 9255 574 1236 -7853 -6089 4531 -6206 1125 -11182 4674 11170 -6941 6635 5925 SS 20250109T131348.1Z 9140.551251 153 1 48.38 2 82.98 125.84 119.46 1.53 0.00 1 0.00 1 0 25 3.953e-01 2.307e-02 1.450e-01 6.074e-03 1.075114e+00 3.407284e-03 1.167488e-02 -6.000000e+00 2.221500e-01 223.75 -2.00 3.47 -2.00 322.26 0.00e+00 5.415747e-03 1.863485e-03 4.068801e-03 -6.000000e+00 9.699870e-03 276.85 -2.00 20.00 -2.00 321.85 0.00e+00 7.520 0.007 302.00 328.00 3 2.5448e-01 1.2841e-02 9.7465e-02 -6.0000e+00 5.4819e-01 1.3988e+00 1.6521e-02 6.8423e-02 -6.0000e+00 5.9691e-01 -1.9127e+00 1.3970e-02 3.1758e-02 -6.0000e+00 3.5551e-01 7.7665e-01 6.8034e-03 1.0910e-02 -6.0000e+00 1.5208e-01 7.6972e-05 -2.2692e-03 1.4444e-04 1.5115e-04 -6.0000e+00 1.0517e-02 7.2376e-03 -2.2405e-04 12 9 8 11 8 0 -16.58 18.63 0.86 0.00724 -0.00981 88 21 1 5 0 549.740 23.93 19.96 18.63 -1.59 5.2 853.55 -20839 -29346 -88902 -11597 -66074 -93655 -78321 -114541 -62094 -126403 -46492 -115612 -88691 -42689 -25060 43262 -38807 3973 -7163 8686 11899 -24174 117897 -69494 31776 -16009 -36400 16808 -63649 -9270 -5444 -19260 102647 22442 70320 -17546 45151 32329 8817 71527 32995 84830 16227 79383 66563 51182 60035 30201 90737 12418 58104 50139 51569 74996 28515 71372 46534 33155 34782 9878 42203 1806 30122 15931 22322 32625 30921 40422 16174 34231 20626 15019 22218 13050 13851 -2915 6012 821 -8808 6431 -1641 4786 -2912 4744 5215 949 9350 1179 2925 -600 568 3532 -5879 -1803 -5728 -2353 -2332 -2254 -1129 -3666 -1313 -3494 -5144 -3587 -5147 -3304 -4690 -1883 -2425 -2013 -986 -1124 -263 -1375 376 -531 -1047 -249 47 777 1537 2136 3620 1598 3243 2217 2184 534 354 1199 364 1060 74 502 309 -106 149 -529 350 -295 -123 -661 -2344 -449 -774 -4261 -231 -1850 -2875 -1898 -3948 -1271 -4833 -776 -4047 -2914 -1149 -715 746 -1693 120 -247 248 338 -807 978 -3443 640 -512 -1358 339 -2677 -236 -161 -821 1520 798 1458 -790 1070 958 387 1949 1466 2362 913 2351 2169 1910 2063 1449 2526 817 2685 2822 3147 3910 2500 4186 3528 2789 2679 901 2700 184 2659 1897 2790 3788 3682 4598 2587 5252 4020 2928 4330 2559 2371 -513 890 132 -1805 1398 -429 1389 -1037 1684 1941 387 3650 512 1241 -254 223 1271 -2295 -722 -2785 -1346 -1614 -1853 -963 -3368 -1128 -2971 -3864 -2494 -3800 -2555 -3890 -1649 -2417 -2168 -1239 -1599 -395 -2118 559 -774 -1538 -379 76 1275 2434 3148 4940 2160 4211 2832 2718 708 552 2237 731 2354 179 1317 815 -296 424 -1523 990 -801 -328 -1607 -5380 SS 20250109T132438.3Z 9140.558777 156 1 48.60 2 81.30 127.72 119.33 4.27 0.00 1 0.00 1 0 17 6.443e-01 1.891e-02 6.829e-02 2.518e-03 9.417340e-01 1.373209e-03 1.039721e-02 -6.000000e+00 3.620948e-01 223.75 -2.00 3.47 -2.00 321.77 0.00e+00 9.304699e-03 7.180255e-04 1.204754e-03 -6.000000e+00 1.580970e-02 276.85 -2.00 20.00 -2.00 321.34 0.00e+00 6.244 0.004 302.00 328.00 3 2.7614e-01 4.8471e-03 7.9445e-02 -6.0000e+00 8.9352e-01 6.5812e-01 6.9225e-03 5.2633e-02 -6.0000e+00 9.7292e-01 -9.3715e-01 7.0943e-03 2.8419e-02 -6.0000e+00 5.7945e-01 3.8975e-01 3.3031e-03 1.3313e-02 -6.0000e+00 2.4791e-01 3.0939e-04 -1.6302e-03 6.1041e-05 1.6675e-04 -6.0000e+00 1.7141e-02 6.2603e-03 -2.4418e-04 12 8 8 10 0 0 33.30 18.64 0.52 0.00626 -0.00599 192 45 1 5 0 253.100 24.04 19.33 18.64 -1.31 5.1 854.61 -193815 -161272 -194134 -193146 -167979 -228791 -142550 -231753 -189773 -198235 -194878 -182079 -167925 -128603 -87631 -76200 -74046 -66030 -41151 -45357 -38860 -59588 -45816 -64123 -46001 -46139 -63742 -37676 -70712 -69853 6537 -37010 46315 7408 6526 -10489 -13987 23545 14177 34378 25939 33114 20016 26848 33380 21706 25709 25309 24528 20780 27314 31948 31007 36032 28104 28729 23928 17022 16424 12130 15661 10856 13633 18092 17141 16310 14491 12328 12593 11784 11231 8334 9137 6991 2926 550 -230 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