File name: Pandora32s1_GreenbeltMD_20231010_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231011T081857.1Z 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 v1.8.49 Instrument operation file used: Pandora32_OF_v1d20220415.txt Instrument calibration file used: Pandora32s1_CF_v12d20221109.txt Level 1 file used: Pandora32s1_GreenbeltMD_20231010_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: 20231010 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 20231010T120403.5Z 8683.502818 183 1 3.34 2 80.91 106.29 36.22 122.53 0.00 1 0.00 1 0 25 4.899e-01 3.083e-02 3.854e-01 2.114e-02 7.399687e-01 1.154845e-02 8.791637e-03 -6.000000e+00 2.821556e-01 226.72 -2.00 3.47 -2.00 321.42 0.00e+00 5.034049e-03 5.772296e-03 4.427157e-03 -6.000000e+00 1.389878e-02 285.83 -2.00 20.00 -2.00 320.86 0.00e+00 6.002 0.004 302.00 328.00 3 1.9161e+00 4.0643e-02 7.3223e-02 -6.0000e+00 7.0048e-01 4.9382e-01 5.2266e-02 4.5033e-02 -6.0000e+00 7.6164e-01 -8.7192e-01 4.3296e-02 2.2062e-02 -6.0000e+00 4.5128e-01 3.8963e-01 2.0821e-02 6.2159e-03 -6.0000e+00 1.9325e-01 9.9580e-05 -1.8417e-03 5.7403e-04 1.2869e-04 -6.0000e+00 1.3504e-02 7.5399e-03 -1.7765e-04 12 9 9 12 1 1 999.00 21.21 0.67 0.00754 -0.00630 2 10 1 5 0 1112.590 25.79 20.00 21.21 15.93 3.6 945.38 64969 -127002 -70184 900000 -133570 900000 -184366 900000 108469 -98416 900000 -142919 900000 -130376 6960 -39018 27960 172715 -71737 900000 -34360 -9357 95907 12243 137477 -50041 83399 58987 3212 -23676 23793 100299 827 12755 -31722 -21649 43421 24351 115291 105430 33736 29740 50661 83443 33955 94932 -3148 51571 103297 18613 75278 20363 45863 9785 26930 57913 6955 48464 -11963 45945 -1774 2854 27704 12953 18535 6293 30933 6921 16593 13584 18906 8700 -2582 3538 -7035 -2679 14255 -12189 -5130 -5289 -418 8407 -6110 6913 756 -1976 -1248 -996 489 -493 -3688 -3474 -2666 -3605 -2707 -235 -8761 -403 -3669 -386 -981 -2912 -682 -726 1806 -5421 -1437 -364 -2278 -551 -2129 1916 1250 1109 -175 -1045 1764 -1163 -218 414 745 1507 309 4333 18 2725 2769 -243 2559 -663 2636 -1669 2111 118 -334 982 -649 -531 -40 -924 -455 -1168 -783 1338 -4968 -1676 900000 -4942 900000 -9754 900000 2234 -2680 900000 -6300 900000 -7683 143 -1413 595 3557 -4522 900000 -1543 -318 1975 343 2832 -2745 1718 1215 97 -949 695 2066 42 626 -2301 -1340 1480 1130 2661 3155 2252 2201 3196 3937 2559 4027 -344 3434 4372 1858 4803 2431 4705 1513 3752 6244 1236 5813 -2445 5248 -318 526 4562 2783 4083 1563 5972 1697 4024 3851 5690 3020 -993 1228 -2476 -815 3418 -3720 -1609 -1955 -174 3700 -3387 3636 443 -1255 -828 -682 333 -332 -2422 -2149 -1579 -2187 -1800 -175 -8073 -393 -4059 -429 -1057 -2931 -615 -641 1642 -5565 -1492 -398 -2733 -721 -3122 2909 1961 1722 -266 -1542 2534 -1768 -344 678 1218 2393 478 6350 27 3840 3800 -347 3922 -1163 4916 -3403 4350 258 -773 2349 -1600 -1320 -99 -2258 -1062 -2596 -1672 SS 20231010T121459.1Z 8683.510406 188 1 48.70 2 78.88 108.12 34.52 125.91 0.00 1 0.00 1 0 25 4.354e-01 9.156e-03 4.147e-02 1.616e-03 6.529486e-01 8.468460e-04 7.457263e-03 -6.000000e+00 2.476799e-01 226.72 -2.00 3.47 -2.00 320.79 0.00e+00 3.115049e-03 3.698703e-04 1.292819e-03 -6.000000e+00 1.109778e-02 285.83 -2.00 20.00 -2.00 320.17 0.00e+00 5.003 0.002 302.00 328.00 3 1.1013e+00 2.7505e-03 5.9944e-02 -6.0000e+00 6.1341e-01 7.7027e-02 3.6174e-03 3.4424e-02 -6.0000e+00 6.6540e-01 -1.5021e-01 3.4174e-03 1.8257e-02 -6.0000e+00 3.9755e-01 5.8238e-02 1.6741e-03 6.1425e-03 -6.0000e+00 1.7049e-01 6.4005e-04 -9.2818e-04 4.3454e-05 7.5017e-05 -6.0000e+00 1.1596e-02 7.4066e-03 -1.2472e-04 11 8 0 10 0 0 99.67 21.25 0.47 0.00741 0.00043 215 50 1 5 0 226.460 25.79 20.00 21.25 17.01 3.6 952.97 -156991 -153208 -118217 -146940 -138052 -173839 -142533 -133404 -132602 -112519 -115760 -103710 -103424 -82056 -43154 -46529 -41191 -45287 -20333 -22457 -28484 -21825 -25320 -21216 -15246 -20889 -17850 -22230 -25009 -28826 -8051 -8121 7898 -1545 -7152 -1753 -12714 -3791 -4673 4746 2251 3203 1410 2229 4571 6074 4157 5728 2528 2444 3670 6542 5750 6007 4864 4322 3611 1278 2852 1650 2421 3846 3936 5307 2701 2961 2850 768 1995 1655 1412 1071 1110 661 -709 -960 -1593 -1624 -2298 -1252 -1334 -1383 -1447 -2090 -1002 -992 -490 36 -144 786 31 715 -417 -660 -340 -481 -180 265 86 -383 -394 -1000 -1115 -273 -1285 -1423 -681 -674 -98 230 440 267 318 483 154 468 283 165 -79 -214 -127 197 461 361 672 463 165 1073 377 246 284 -74 -111 -68 75 -114 -200 -6 -65 -207 -20 -133 -373 -1930 -2222 -1342 -2247 -1784 -3041 -1910 -1850 -2090 -1596 -1788 -1553 -1907 -1591 -728 -997 -967 -1235 -474 -570 -799 -574 -706 -615 -457 -708 -605 -774 -875 -1095 -289 -356 349 -83 -404 -90 -776 -248 -345 388 217 335 159 258 526 704 504 706 337 346 567 1107 1088 1238 1086 1017 888 324 695 397 587 997 1160 1610 912 994 932 260 725 697 670 541 563 322 -323 -393 -601 -606 -943 -601 -759 -838 -975 -1515 -765 -810 -422 32 -129 679 26 541 -303 -484 -274 -450 -181 305 103 -473 -463 -1143 -1151 -274 -1390 -1649 -824 -812 -127 335 668 438 529 781 237 727 436 249 -127 -361 -215 321 721 547 1043 693 238 1559 576 428 515 -145 -226 -139 165 -264 -454 -14 -150 -466 -44 -279 -794 SS 20231010T122046.3Z 8683.514425 191 1 11.63 2 77.82 109.11 33.65 127.80 0.00 1 0.00 1 0 17 3.252e-01 9.225e-03 1.249e-01 5.189e-03 6.052713e-01 2.694603e-03 6.997876e-03 -6.000000e+00 1.849339e-01 226.72 -2.00 3.47 -2.00 320.50 0.00e+00 2.587768e-03 1.065687e-03 1.667715e-03 -6.000000e+00 8.286511e-03 285.83 -2.00 20.00 -2.00 319.86 0.00e+00 4.599 0.002 302.00 328.00 3 2.4058e+00 8.3190e-03 5.5385e-02 -6.0000e+00 4.5801e-01 4.8721e-02 1.0639e-02 3.2321e-02 -6.0000e+00 4.9685e-01 -1.0600e-01 9.8361e-03 1.6799e-02 -6.0000e+00 2.9685e-01 4.0894e-02 4.9312e-03 5.1770e-03 -6.0000e+00 1.2729e-01 2.6626e-04 -8.7778e-04 1.4110e-04 6.5037e-05 -6.0000e+00 8.6597e-03 7.4113e-03 -1.5535e-04 12 9 1 12 1 1 96.32 21.27 0.43 0.00741 0.00082 13 14 1 5 0 830.190 25.90 20.00 21.27 17.77 3.6 956.44 -93878 -108113 -111569 -110915 -119039 -107551 -91042 -103829 -79927 -98335 -50181 -132022 -85107 -40551 -22077 -35076 -21547 -18591 -13092 -5290 -16917 -9033 -15658 -31830 15023 -21556 5281 -25738 -25500 -14475 -18986 -11981 29357 -1569 -13770 8775 -8875 -1161 -3540 7482 3846 7267 -5183 9081 2316 4041 1742 6954 1105 -3433 5087 4723 3070 2731 1198 343 19 1808 1460 3004 6010 1387 2376 2139 1151 3053 2572 1878 336 2936 1365 707 1005 696 -1774 -904 -1393 -1950 -2029 752 -1051 -728 -1807 -2357 -1087 -584 -397 33 30 434 579 409 -426 830 59 64 577 111 -429 320 -962 -1455 -949 -568 -888 -1689 -525 -1245 -240 350 365 78 452 368 491 361 -86 303 394 -126 189 278 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