File name: Pandora32s1_GreenbeltMD_20241230_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241231T051439.2Z 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_20241230_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: 20241230 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 20241230T130114.1Z 9130.542524 56 1 47.82 2 85.06 125.23 86.86 132.10 0.00 1 0.00 1 0 25 6.111e-01 6.961e-02 3.249e-01 4.411e-02 1.041835e+00 2.435709e-02 1.204416e-02 -6.000000e+00 3.462061e-01 223.52 -2.00 3.47 -2.00 321.22 0.00e+00 -3.002554e-02 5.359285e-03 4.544955e-03 -6.000000e+00 1.527101e-02 277.37 -2.00 20.00 -2.00 320.53 0.00e+00 9.920 0.017 302.00 328.00 3 4.6126e-01 7.0504e-02 1.2193e-01 -6.0000e+00 8.5204e-01 2.2973e+00 8.2015e-02 9.6506e-02 -6.0000e+00 9.2715e-01 -2.4598e+00 4.6319e-02 2.5097e-02 -6.0000e+00 5.5372e-01 8.7210e-01 2.6543e-02 2.7306e-02 -6.0000e+00 2.4017e-01 5.8208e-06 6.4997e-04 1.0558e-03 3.3093e-04 -6.0000e+00 1.6420e-02 3.1033e-03 -2.9158e-06 12 8 8 10 0 0 99.40 20.88 2.76 0.00310 0.00799 19 4 1 5 0 2516.260 25.90 20.54 20.88 15.91 5.5 955.79 900000 25955 43588 73739 -18582 -31494 -15638 -815 12457 36793 45478 -21484 188392 -18477 220815 26058 -9013 8853 195522 242639 30895 4678 88286 28958 208505 -17836 103107 -35215 30380 -22321 -28028 -35643 350388 12021 -18501 -53731 -67939 -57065 5628 49890 48350 48099 900000 118448 64693 44269 -24075 900000 -38261 156692 -13845 17423 78633 39014 11733 39874 16928 10334 36876 20001 -3763 -15586 5049 -8095 685 -9696 11379 50876 7364 71285 36048 35518 -12947 44771 -32082 -21681 3195 -39148 -15778 -53127 2772 14005 2390 14052 41284 5718 39326 10070 20143 4316 8277 76369 -9812 -17063 -6232 16704 11387 15379 5834 2337 -7344 -7860 -11827 -5690 4400 -19919 11959 4304 918 5350 -831 5037 4232 -1278 3012 241 2724 -9610 -1156 -945 2277 908 4031 3776 -3041 -2936 -3085 1716 -8801 6286 653 2742 -5018 1021 1775 1851 450 -5498 2541 -1783 2011 2544 508 900000 5672 7027 7781 -3462 -6154 -2689 -140 2142 5321 6043 -5458 8099 -4622 9493 4379 -2114 1661 8406 10432 3622 640 5176 3508 8964 -4252 6851 -7708 2731 -2966 -4053 -6129 15064 1409 -2675 -9870 -14339 -12267 792 5460 6047 6204 900000 6481 5310 3979 -3952 900000 -7028 6736 -2273 2315 6761 5367 2064 6171 3420 1979 5390 3010 -647 -3015 868 -1775 147 -2293 2153 6780 1678 9807 7749 7940 -4564 8084 -10896 -5686 591 -11108 -3934 -22840 810 4275 925 5195 12247 2532 12849 4459 7880 1874 3202 14118 -4260 -8509 -3215 8115 6854 10315 4815 2060 -6756 -6454 -8898 -3865 2856 -17555 8072 3386 840 5497 -965 6182 5541 -1788 3943 314 3460 -14348 -1668 -1400 3177 1327 5406 4951 -4171 -3914 -4006 2235 -14908 10918 1252 5701 -12219 2545 4765 5274 1328 -17364 7338 -5128 5108 5847 1121 SS 20241230T131320.8Z 9130.550936 59 1 48.46 2 83.16 127.28 85.20 134.07 0.00 1 0.00 1 0 25 3.551e-01 2.255e-02 1.301e-01 5.910e-03 9.851158e-01 3.287494e-03 1.080810e-02 -6.000000e+00 1.996035e-01 223.52 -2.00 3.47 -2.00 322.11 0.00e+00 6.354216e-03 1.733138e-03 1.490388e-03 -6.000000e+00 8.736932e-03 277.37 -2.00 20.00 -2.00 321.68 0.00e+00 7.683 0.008 302.00 328.00 3 1.7236e-01 1.2070e-02 9.2549e-02 -6.0000e+00 4.9221e-01 1.2242e+00 1.5546e-02 5.5238e-02 -6.0000e+00 5.3579e-01 -1.6680e+00 1.3289e-02 2.8104e-02 -6.0000e+00 3.1926e-01 6.8069e-01 6.4678e-03 1.0165e-02 -6.0000e+00 1.3686e-01 8.0787e-05 -2.2641e-03 1.4640e-04 1.4255e-04 -6.0000e+00 9.4426e-03 2.6117e-03 -9.4737e-05 12 8 8 10 0 0 12.74 20.87 0.84 0.00261 -0.01440 87 20 1 5 0 556.960 25.90 19.66 20.87 16.05 5.5 957.03 53856 -87196 -20575 -55594 -77618 -91723 -90309 -65860 -122947 -103259 -96834 -148980 17003 -100279 45517 -17928 2501 16658 -9229 80196 -28263 6561 -28184 -33554 -1309 -30783 18456 -44780 -38 -43632 675 -11705 -4523 49509 -17137 8902 -18208 -1404 23784 32543 50258 34520 6049 55767 53458 45624 20509 69221 25183 13801 38033 45067 53766 34191 52486 28369 35473 42827 24046 35865 18047 19146 25749 25318 25758 20404 33884 21250 17473 20477 18786 17815 12017 15352 4201 -546 -762 -5114 -4524 -119 741 609 -1132 3367 2267 3507 1606 1189 12 1967 897 995 -667 -5584 -6163 -3237 -3396 -1401 -3395 -2096 -2220 -2893 -4809 -3907 -3380 -4389 -2048 -2569 -1923 -1847 -1510 -190 -1155 -52 341 -16 -277 -222 530 -134 918 2514 2325 3588 1978 2826 1203 864 67 849 834 1050 380 85 48 341 -129 -62 -45 -76 -539 -897 -1779 480 -3655 -453 -1602 -2318 -2643 -2366 -1346 -4509 -3084 -2638 -7103 206 -4624 682 -554 78 480 -356 1248 -1238 185 -1056 -1334 -38 -1206 425 -1807 -1 -1685 20 -486 -206 1427 -919 333 -881 -63 973 1425 2057 1751 418 2346 2249 2051 1194 2553 1524 1002 2389 2961 3563 2976 4023 2845 3353 3678 2342 2894 1695 1887 2716 3123 3533 3034 4394 3245 3031 3953 4114 3752 2644 3336 908 -108 -138 -984 -983 -30 206 200 -430 1318 947 1525 745 570 6 906 392 409 -272 -2510 -3203 -1967 -2488 -1192 -3086 -1982 -2022 -2589 -3837 -2907 -2618 -3672 -1769 -2411 -1842 -2068 -1968 -275 -1787 -81 513 -23 -405 -338 847 -224 1495 3806 3325 4918 2687 3703 1555 1159 104 1573 1643 2285 899 218 122 922 -358 -172 -126 -204 -1446 -2195 -4091 SS 20241230T134036.8Z 9130.569871 68 1 48.66 2 79.08 132.10 81.67 138.67 0.00 1 0.00 1 0 17 5.158e-01 9.631e-03 3.055e-02 1.092e-03 7.169159e-01 5.714016e-04 8.088920e-03 -6.000000e+00 2.900253e-01 223.52 -2.00 3.47 -2.00 320.86 0.00e+00 3.940700e-03 2.429757e-04 1.039965e-03 -6.000000e+00 1.269195e-02 277.37 -2.00 20.00 -2.00 320.36 0.00e+00 5.090 0.002 302.00 328.00 3 2.6511e-01 1.7791e-03 6.2131e-02 -6.0000e+00 7.1519e-01 1.3031e-01 2.3887e-03 3.7288e-02 -6.0000e+00 7.7844e-01 -1.8182e-01 2.4754e-03 2.0717e-02 -6.0000e+00 4.6386e-01 7.1540e-02 1.2170e-03 7.9713e-03 -6.0000e+00 1.9889e-01 1.2437e-03 -8.5712e-04 2.8559e-05 8.9322e-05 -6.0000e+00 1.3716e-02 1.3277e-03 -7.9628e-05 12 9 8 11 8 0 5.29 20.98 0.38 0.00133 -0.00511 383 90 1 5 0 127.040 25.90 20.46 20.98 17.01 5.5 963.72 -189380 -164669 -164265 -148088 -172010 -176288 -173171 -174084 -151046 -153040 -133783 -143401 -108141 -86075 -74467 -54367 -47717 -34183 -32945 -33072 -35774 -36957 -25175 -34471 -29096 -29941 -25895 -26632 -33493 -27417 -20462 -12945 -6426 -7243 -7069 -9694 -8560 -6122 -2552 2370 1949 4818 2280 5707 4240 5301 3038 5848 5339 3113 5197 7541 6034 5800 4839 5505 4473 2468 2704 1286 2763 3807 4653 5002 3826 2725 2466 2356 2121 2950 1562 1324 639 264 -60 -770 -1404 -2279 -2217 -1316 -1641 -920 -1909 -1558 -1074 -1106 -277 115 226 391 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