File name: Pandora32s1_GreenbeltMD_20231111_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20231112T055214.4Z 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_20231111_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: 20231111 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 20231111T125437.5Z 8715.537934 114 1 49.31 2 78.97 123.40 61.57 136.37 0.00 1 0.00 1 0 17 5.612e-01 2.061e-02 2.804e-01 1.126e-02 5.529244e-01 5.890832e-03 6.944015e-03 -6.000000e+00 3.186787e-01 223.94 -2.00 3.47 -2.00 320.84 0.00e+00 6.908505e-03 2.415333e-03 3.938743e-03 -6.000000e+00 1.422433e-02 282.00 -2.00 20.00 -2.00 320.25 0.00e+00 5.042 0.002 302.00 328.00 3 4.1345e+00 1.8730e-02 5.8785e-02 -6.0000e+00 7.8496e-01 2.0145e-01 2.3542e-02 3.2967e-02 -6.0000e+00 8.5402e-01 -2.9131e-01 2.0809e-02 1.9524e-02 -6.0000e+00 5.0813e-01 1.2528e-01 1.0369e-02 7.7535e-03 -6.0000e+00 2.1936e-01 3.2492e-05 8.5864e-04 3.2833e-04 1.2617e-04 -6.0000e+00 1.5126e-02 6.9710e-03 3.2721e-04 12 9 8 11 8 0 99.98 20.85 0.95 0.00697 0.01342 35 8 1 5 0 1408.600 25.47 20.00 20.85 11.13 3.7 917.94 900000 -127509 177403 -150045 289420 -167929 900000 25618 -74448 -22646 -99117 -87394 -43747 -52280 86752 7043 13923 28201 34351 250425 17747 10956 46788 -4609 253651 73289 3816 -64249 25474 -33585 37193 -37198 227645 3303 -18210 10561 62 28514 -4747 32924 5274 21078 10182 14720 20391 12147 14901 21027 -153 5911 11530 11025 4952 11502 2152 6815 3629 2320 5413 -3917 538 -2007 6352 1285 -406 7755 4911 6227 2936 12636 217 -1398 -159 -2827 1192 -868 -4089 1964 -11080 -1362 -2310 1754 -3484 -4298 2128 -1952 3760 -792 -254 1008 427 -3222 -1838 -2441 1399 1197 1072 -553 73 -1048 9 -1292 -2738 -13 -4270 -981 -2022 -1769 1115 -2194 633 144 243 43 1568 -61 -631 517 50 463 622 -222 2942 1069 1490 1238 355 1201 -759 2610 746 -1029 -220 367 523 -144 -500 -1653 242 426 -619 -51 -395 900000 -4498 1947 -7051 3176 -7830 900000 281 -1710 -336 -3088 -2562 -1008 -1649 952 188 393 755 933 2749 605 393 1192 -198 2784 1652 167 -5193 870 -2046 1319 -3088 2498 236 -1555 658 4 1779 -478 2754 638 2368 1327 1899 2539 1661 2026 2747 -25 946 1887 1996 1029 2411 518 1617 907 588 1304 -1008 136 -558 1828 434 -148 2593 1617 2020 1045 4660 100 -687 -78 -1364 516 -348 -1548 688 -4679 -608 -1208 1000 -2284 -3005 1487 -1506 2906 -662 -213 818 329 -2407 -1277 -1697 1013 985 1007 -595 85 -1273 10 -1378 -2713 -12 -4520 -1074 -2341 -2157 1421 -3156 971 235 399 68 2341 -89 -908 764 78 760 1031 -363 4542 1629 2193 1764 491 1665 -1166 4321 1359 -2006 -442 765 1152 -334 -1195 -4042 586 1011 -1417 -112 -832 SS 20231111T131646.8Z 8715.553320 126 1 48.86 2 75.47 127.46 58.88 141.67 0.00 1 0.00 1 0 25 1.040e-01 6.542e-03 5.117e-02 3.084e-03 4.460090e-01 1.554382e-03 5.204111e-03 -6.000000e+00 5.853331e-02 223.94 -2.00 3.47 -2.00 319.73 0.00e+00 1.487841e-03 4.662083e-04 2.385756e-04 -6.000000e+00 2.608244e-03 282.00 -2.00 20.00 -2.00 319.07 0.00e+00 3.903 0.001 302.00 328.00 3 3.6059e+00 4.4449e-03 4.4556e-02 -6.0000e+00 1.4424e-01 2.0581e-03 5.3125e-03 2.2816e-02 -6.0000e+00 1.5688e-01 -1.5449e-02 4.3671e-03 1.1533e-02 -6.0000e+00 9.3710e-02 1.7360e-03 2.2864e-03 3.7040e-03 -6.0000e+00 4.0276e-02 1.8791e-04 -4.8100e-04 8.8471e-05 3.9578e-05 -6.0000e+00 2.7672e-03 8.3126e-03 -6.9805e-05 11 8 0 10 0 0 99.89 20.89 0.47 0.00831 0.00470 48 11 1 5 0 1017.790 25.58 19.99 20.89 11.35 3.6 918.78 -37681 3736 -35033 -23889 -12560 -59568 51021 -22446 -34088 -12050 -32882 -30360 -7481 3441 -11042 -362 -11997 -9221 5724 -827 3837 -7167 2362 -13475 -1835 -962 6898 -1346 -4048 -8794 4382 -4337 15989 951 -4932 -5087 -3958 -2216 942 756 -3417 3748 -2302 -1528 726 2429 2087 1258 830 -1066 -911 1914 1846 4535 -285 2056 -34 -44 1634 -1123 1721 365 1430 1959 239 1419 198 452 383 2208 399 -630 449 -40 10 -1286 -124 -671 -1938 -1373 -1769 -581 -2014 -1942 -810 -1098 703 204 387 236 954 265 -24 369 672 818 340 646 551 -546 -255 -850 -695 27 -998 -958 -810 -566 24 446 306 351 169 352 375 283 178 3 -52 -290 -405 -396 303 226 371 261 127 805 283 609 165 -60 -301 122 -156 -369 -125 -117 277 125 -147 -36 -315 -747 59 -855 -523 -228 -1581 500 -493 -951 -297 -1017 -960 -221 111 -490 -17 -692 -556 322 -52 240 -498 153 -1079 -142 -78 536 -110 -326 -744 357 -438 1513 111 -598 -594 -484 -308 153 146 -770 850 -576 -390 183 611 533 325 218 -292 -267 597 622 1594 -110 804 -14 -18 654 -454 690 158 676 1009 131 750 101 227 202 1288 261 -436 311 -27 6 -761 -67 -351 -1073 -854 -1248 -450 -1701 -1719 -749 -1075 713 214 408 245 937 246 -21 317 608 813 376 781 717 -725 -325 -1013 -776 31 -1180 -1194 -1046 -760 34 666 486 579 278 561 568 411 256 4 -80 -470 -668 -647 481 351 558 381 179 1134 425 984 283 -106 -548 228 -307 -755 -261 -247 588 262 -299 -71 -606 SS 20231111T134512.0Z 8715.573055 143 1 48.33 2 71.26 133.00 55.90 148.98 0.00 1 0.00 1 0 17 1.147e-01 1.141e-02 5.490e-02 5.918e-03 3.540176e-01 2.950048e-03 4.164109e-03 -6.000000e+00 6.458681e-02 223.93 -2.00 3.47 -2.00 319.02 0.00e+00 2.446048e-03 6.952326e-04 4.506269e-04 -6.000000e+00 2.876108e-03 282.00 -2.00 20.00 -2.00 318.33 0.00e+00 3.074 0.000 302.00 328.00 3 5.5352e+00 8.1108e-03 3.5083e-02 -6.0000e+00 1.5916e-01 2.8704e-02 9.3725e-03 1.7867e-02 -6.0000e+00 1.7305e-01 -1.1059e-02 6.6641e-03 9.2161e-03 -6.0000e+00 1.0338e-01 -9.0525e-04 3.5131e-03 3.5182e-03 -6.0000e+00 4.4464e-02 6.5734e-05 7.6474e-04 1.7212e-04 3.5799e-05 -6.0000e+00 3.0496e-03 6.2855e-03 7.9801e-05 12 8 8 10 0 0 99.96 20.95 0.23 0.00629 0.01203 15 4 1 5 0 3221.480 25.58 20.00 20.95 12.17 3.7 923.62 12761 -17328 -31441 -25315 -26728 -41057 100068 -12126 2240 111 -13815 -34234 -2871 -3868 11881 5129 -14641 -4979 -7034 10801 2903 1664 9936 -5643 4155 1857 -2217 -5497 5 -6898 6711 -9067 20715 1581 -1954 -8674 -8735 -4810 -4866 3143 712 2229 6897 3321 2027 849 5185 2178 615 347 -1367 173 2307 4126 -1751 2112 752 -1457 1006 -1905 1663 432 3183 -348 375 1562 1094 521 -980 2823 -1315 -603 346 -698 -1112 -2054 -1750 -2591 -1261 -1786 -704 -939 -2848 -2550 -90 -1369 1850 54 476 909 1301 826 -85 -412 -146 -14 886 593 1967 -326 333 -1906 -1729 -961 -1250 -1012 -438 -387 151 342 73 1102 399 -60 676 -619 -138 171 863 -517 180 -299 1394 -276 943 -115 168 470 -599 670 603 -1148 -516 279 565 19 -482 -1267 1427 -29 -477 278 -434 388 -795 -1744 -1304 -1277 -2084 1448 -536 97 5 -755 -2314 -164 -264 825 432 -1608 -528 -805 1092 327 189 1054 -727 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