File name: Pandora32s1_GreenbeltMD_20241018_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20241019T045738.1Z 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_20241018_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: 20241018 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 20241018T115325.8Z 9057.495437 248 1 48.37 2 84.65 107.33 81.84 285.18 0.00 1 0.00 1 0 25 4.386e-01 3.606e-02 2.267e-01 2.114e-02 9.421864e-01 1.177725e-02 1.070565e-02 -6.000000e+00 2.485056e-01 225.87 -2.00 3.47 -2.00 322.01 0.00e+00 -1.800395e-02 4.235183e-03 2.361097e-03 -6.000000e+00 1.112352e-02 284.77 -2.00 20.00 -2.00 321.45 0.00e+00 9.335 0.014 302.00 328.00 3 4.6899e-01 3.9285e-02 1.0800e-01 -6.0000e+00 6.1447e-01 1.6989e+00 4.6192e-02 6.7279e-02 -6.0000e+00 6.6725e-01 -2.2200e+00 2.5601e-02 2.3059e-02 -6.0000e+00 3.9866e-01 8.6204e-01 1.4824e-02 1.7310e-02 -6.0000e+00 1.7097e-01 1.3882e-05 -3.5871e-04 5.5136e-04 2.2412e-04 -6.0000e+00 1.1680e-02 1.0927e-02 -1.7462e-04 12 8 8 10 0 0 -62.91 20.51 2.17 0.01093 0.00823 27 6 1 5 0 1791.390 25.58 19.57 20.51 12.69 5.2 936.11 51903 48781 -13211 30781 33063 -48605 161 -21777 25118 45044 6295 -39816 -69 -28504 74866 16437 -9377 50725 34260 75412 18720 -41110 57890 -32228 103445 31338 46888 -23105 -49602 -52712 8393 -42898 52842 17173 35050 -42780 -4203 -1464 -22533 101329 49497 134748 131900 149863 48937 92399 30465 67796 252640 -8396 64352 19376 61392 63196 16506 103287 36716 47141 38787 3954 65347 -17830 18741 16407 -5566 2594 2308 26244 13937 74969 12621 9401 20872 17835 -10450 -16088 29153 -9731 -26225 -8409 -13146 12033 853 4505 8152 10420 21402 2619 11213 2484 1263 16749 -4740 -5375 -8026 2691 -6263 -2630 4343 -6755 3756 -8347 -10294 -11627 -6773 -5196 783 1027 -509 -3136 -1410 -488 832 308 2674 -2089 228 -2180 2137 -1022 1252 2138 3637 -336 2672 -516 3584 1310 -284 1848 249 2212 -854 613 -305 722 256 -2219 631 812 -880 -346 -1117 4864 4663 -2129 2654 2169 -6104 12 -2286 1789 2702 543 -5373 -7 -3900 3929 1633 -1213 3518 2697 3675 1474 -5317 2713 -4047 3684 2349 2812 -2382 -5578 -5631 519 -4985 2575 1223 1905 -4570 -307 -118 -2703 4596 4184 5001 4895 4326 3531 4000 2324 3494 5209 -987 3980 2077 4683 5081 2246 6175 4390 4957 4078 530 4446 -2867 2318 2334 -1056 449 395 3679 2442 8192 2836 2268 4389 3567 -2456 -3483 3666 -1826 -6488 -2080 -4065 3374 301 1644 3042 4017 7722 1166 4531 1050 505 5422 -1876 -2272 -4004 1431 -4300 -2028 3501 -6281 2989 -6711 -7534 -8414 -4985 -4028 605 858 -485 -3250 -1665 -635 1121 418 3458 -2752 295 -3024 3008 -1542 1817 2921 4676 -440 3647 -708 4604 1813 -421 3176 495 4742 -2035 1560 -848 2108 770 -6916 1903 2340 -2385 -855 -2636 SS 20241018T120623.2Z 9057.504435 251 1 48.62 2 82.27 109.46 84.13 287.09 0.00 1 0.00 1 0 17 5.214e-01 1.934e-02 8.093e-02 3.731e-03 8.181747e-01 2.029027e-03 9.450092e-03 -6.000000e+00 2.953899e-01 225.86 -2.00 3.47 -2.00 321.71 0.00e+00 6.292893e-03 1.098366e-03 4.182109e-03 -6.000000e+00 1.322186e-02 284.77 -2.00 20.00 -2.00 321.19 0.00e+00 6.915 0.006 302.00 328.00 3 4.4434e-01 7.4734e-03 8.2358e-02 -6.0000e+00 7.3040e-01 5.9227e-01 1.0150e-02 4.8051e-02 -6.0000e+00 7.9316e-01 -8.6388e-01 9.1152e-03 2.5913e-02 -6.0000e+00 4.7388e-01 3.6036e-01 4.2495e-03 8.5138e-03 -6.0000e+00 2.0321e-01 1.6518e-04 -1.6790e-03 9.5875e-05 1.5060e-04 -6.0000e+00 1.3886e-02 1.0496e-02 -2.1500e-04 12 9 8 11 8 0 7.44 20.58 0.64 0.01050 -0.00212 118 28 1 5 0 411.950 25.58 19.55 20.58 13.04 5.2 939.15 -153478 -144816 -158922 -148156 -165608 -180643 -152526 -171263 -168390 -177512 -155573 -146262 -112832 -80090 -58507 -48542 -66327 -29108 -31147 -2914 -11898 -40998 -20879 -53774 -4622 -19217 -15078 -23447 -56420 -49848 1159 -2681 32051 238 -1048 -5271 -6763 24912 8264 28020 29694 30044 8187 30314 22719 35672 18962 32992 22416 15169 25477 29814 24300 32665 19171 23188 17788 15368 16086 11701 16601 9743 17997 16479 17023 14790 10857 11564 10041 12027 8747 7260 8090 4524 4238 -1359 -157 -298 -3923 454 -1744 2352 -2320 -2237 -141 -231 896 -247 -45 -929 29 49 -3408 -3059 -3823 -2203 -2304 -1471 -1355 -1923 -762 -2548 -2663 -2157 -3110 -2346 -3071 -1460 -1286 -423 220 170 305 -86 7 -103 57 270 395 577 468 1721 1929 1856 1212 1225 1339 1578 607 556 847 601 -15 -8 -116 -214 -30 -8 32 -40 -109 -835 -1474 -2843 -2922 -3943 -3186 -3725 -4243 -2942 -4238 -4351 -5232 -3736 -3460 -2381 -1603 -1214 -1113 -2076 -688 -805 -58 -260 -1149 -471 -1761 -98 -483 -362 -589 -1909 -1669 28 -83 828 9 -40 -198 -266 816 385 1275 1502 1629 578 1754 1422 1986 1277 2005 1599 1248 2095 2647 2520 3388 2421 2920 2421 1932 2119 1546 2096 1429 2790 2720 3069 2755 2080 2269 2192 2972 2497 2214 2430 1325 1127 -340 -36 -69 -1054 141 -665 1004 -1163 -1202 -79 -137 509 -147 -27 -591 17 28 -1896 -1755 -2501 -1540 -1909 -1412 -1462 -2163 -809 -2466 -2300 -1795 -2776 -2222 -3097 -1560 -1521 -526 310 263 488 -137 10 -151 84 413 640 974 784 2722 2905 2716 1732 1695 1788 2172 962 1027 1635 1265 -34 -19 -281 -549 -78 -22 85 -103 -262 -1996 -3361 SS 20241018T122515.2Z 9057.517537 256 1 48.59 2 78.85 112.66 87.44 289.90 0.00 1 0.00 1 0 17 3.750e-01 8.490e-03 2.547e-02 1.066e-03 6.305067e-01 5.527005e-04 7.208770e-03 -6.000000e+00 2.125267e-01 225.86 -2.00 3.47 -2.00 320.59 0.00e+00 2.516951e-03 2.254085e-04 1.154300e-03 -6.000000e+00 9.512388e-03 284.76 -2.00 20.00 -2.00 319.97 0.00e+00 4.989 0.002 302.00 328.00 3 4.0115e-01 1.7261e-03 5.8983e-02 -6.0000e+00 5.2551e-01 7.0387e-02 2.2225e-03 3.2940e-02 -6.0000e+00 5.7060e-01 -1.1770e-01 2.0837e-03 1.7266e-02 -6.0000e+00 3.4091e-01 4.4536e-02 1.0379e-03 5.6374e-03 -6.0000e+00 1.4624e-01 1.3355e-03 -7.8209e-04 2.8775e-05 6.5959e-05 -6.0000e+00 9.9862e-03 9.4915e-03 -1.7352e-04 11 8 0 10 0 0 -2.17 20.72 0.41 0.00949 0.00361 363 85 1 5 0 133.840 25.68 20.28 20.72 14.35 5.2 945.89 -152326 -123168 -135931 -115618 -121402 -132443 -111534 -126953 -90327 -110324 -102086 -92479 -78234 -58139 -57157 -33687 -33614 -21956 -15578 -27607 -13184 -26767 -14686 -24144 -15640 -16744 -18410 -14634 -23772 -17384 -10480 -8051 -147 -5869 -5893 -10561 -6666 -3334 -2193 3673 1283 3976 1527 3018 4915 3371 5780 2850 3423 1722 3298 4754 3373 5854 3269 4315 2866 1927 1918 1094 2723 2398 4351 3901 2632 2281 802 749 948 1693 1262 733 753 -203 -76 -908 -909 -1791 -2306 -1156 -1334 -1123 -1960 -1847 -996 -1145 -129 -87 414 689 419 627 -732 -518 -213 -299 17 167 129 -400 -312 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