File name: Pandora32s1_GreenbeltMD_20230801_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20230803T172826.5Z 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_20230801_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: 20230801 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 20230801T112314.3Z 8613.474471 222 1 47.56 2 76.99 77.22 109.77 254.01 0.00 1 0.00 1 0 17 3.628e-01 2.376e-02 1.249e-01 5.828e-03 5.573158e-01 3.053867e-03 6.887809e-03 -6.000000e+00 2.099809e-01 232.11 -2.00 3.47 -2.00 320.40 0.00e+00 7.628381e-03 1.104198e-03 3.201061e-03 -6.000000e+00 9.422198e-03 290.60 -2.00 20.00 -2.00 319.64 0.00e+00 4.326 0.001 302.00 328.00 3 4.0552e+00 9.4226e-03 5.3100e-02 -6.0000e+00 5.2593e-01 2.7121e-01 1.1379e-02 3.1626e-02 -6.0000e+00 5.6837e-01 -3.9557e-01 8.5609e-03 1.6325e-02 -6.0000e+00 3.3906e-01 1.7958e-01 4.3696e-03 5.4970e-03 -6.0000e+00 1.4391e-01 6.4343e-05 -1.3808e-03 1.6206e-04 9.8060e-05 -6.0000e+00 9.6816e-03 3.0518e-02 -5.1387e-05 12 9 8 11 32 0 64.20 26.43 1.24 0.03052 0.02014 12 3 1 5 0 3962.930 30.87 25.01 26.43 23.88 3.2 991.27 -76874 -128524 -76074 -81088 -71310 -136420 164839 2121 -101784 -31291 -93472 -91334 -42131 -41182 136049 6261 -34510 34387 -13920 -16058 7032 9565 11167 -1065 36431 10689 51376 4925 -19859 148941 45179 -24738 -4987 2987 -8874 3018 -15040 20579 -1682 24568 8213 25610 45754 23306 16677 34958 24563 32342 26174 24818 -3462 17768 14318 14223 8535 2460 -520 -5357 2537 2898 6889 1675 6711 304 673 5309 4378 6181 -947 2361 -2811 -3221 -1245 -336 -799 -5767 -1031 -3360 -3911 -4225 -1552 745 -2432 -3583 1796 2111 -638 -3424 -104 -111 -563 -2751 667 -3561 809 -1964 -436 26 -501 344 155 -3311 -806 -2419 -2366 -840 -1016 -295 140 431 -737 1149 113 260 1966 -575 1244 -554 208 837 132 803 2672 1511 368 -296 1153 4024 197 1268 -81 -1017 -1333 659 -263 211 1451 -2130 599 -140 -188 -657 -1339 -2496 -7981 -3037 -3289 -2357 -7744 937 34 -4851 -786 -4288 -4343 -1496 -1825 1326 254 -2299 1273 -873 -1066 381 494 564 -63 1552 600 1954 284 -1410 2147 2031 -2540 -484 287 -917 266 -1657 1855 -223 2967 1282 3610 5559 3597 2778 4977 3917 4858 4264 4258 -835 3864 3470 3680 2431 760 -168 -1799 774 866 2039 563 2400 128 296 2185 1745 2427 -425 1164 -1592 -1911 -724 -186 -413 -2832 -448 -1471 -1854 -2318 -953 502 -1824 -2852 1441 1789 -581 -3283 -97 -102 -489 -2288 510 -2834 671 -1871 -460 30 -635 437 189 -3825 -850 -2592 -2686 -993 -1253 -380 192 636 -1179 1889 188 418 2978 -856 1821 -851 332 1390 222 1315 4196 2330 556 -436 1622 5626 306 2130 -146 -1928 -2605 1320 -555 461 3202 -4869 1347 -311 -401 -1345 -2687 SS 20230801T112927.5Z 8613.478791 225 1 48.02 2 75.81 78.14 110.87 254.86 0.00 1 0.00 1 0 17 3.543e-01 1.323e-02 1.301e-01 4.149e-03 5.335224e-01 2.183275e-03 6.155811e-03 -6.000000e+00 2.080990e-01 232.11 -2.00 3.47 -2.00 320.16 0.00e+00 2.882049e-03 7.700648e-04 1.102248e-03 -6.000000e+00 9.244729e-03 290.60 -2.00 20.00 -2.00 319.39 0.00e+00 3.990 0.001 302.00 328.00 3 3.9287e+00 6.6208e-03 4.8677e-02 -6.0000e+00 5.2192e-01 6.6558e-02 8.1816e-03 2.8388e-02 -6.0000e+00 5.6446e-01 -7.2746e-02 6.9632e-03 1.4373e-02 -6.0000e+00 3.3414e-01 2.7086e-02 3.5560e-03 4.5120e-03 -6.0000e+00 1.4069e-01 1.0635e-04 -7.9636e-04 1.1686e-04 5.2332e-05 -6.0000e+00 9.7015e-03 3.0203e-02 2.8329e-05 12 8 8 10 0 0 82.08 26.46 0.75 0.03020 0.02422 17 4 1 5 0 2824.390 30.87 25.01 26.46 24.10 3.2 992.28 -58235 -134885 5515 -49612 -5312 -135709 900000 900000 -82473 244402 -110124 -101708 -8351 23501 106429 6284 48905 19456 15190 106137 -8486 -10677 -2655 -9642 6685 7417 53396 16067 9333 -34781 41350 -21230 -7392 -9035 -11063 8642 -25580 11818 -15080 16712 2040 4547 27367 4989 9741 13625 11371 18026 2689 5120 -6 9019 3746 5154 2724 -407 433 -3370 -764 247 3914 2792 702 -690 -2951 -2477 1107 1178 203 1700 -694 -2139 -2756 732 -951 -1985 -1498 424 -1163 -1944 -1160 150 -640 -1977 1172 -358 110 -265 -114 343 -691 -308 230 -438 2017 641 409 703 617 -159 186 -1440 -655 -1374 -1702 -451 -659 -98 290 69 217 609 389 308 1069 1 443 -59 172 -137 -315 -147 1138 570 88 -646 173 1278 -269 792 -156 -644 -767 29 7 -115 -346 -1151 593 196 829 -50 -295 -750 -4279 49 -748 -48 -4095 900000 900000 -2027 988 -3940 -3614 -146 378 946 173 1005 577 508 1569 -390 -502 -119 -493 316 369 1752 734 441 -2575 1685 -1826 -639 -856 -1041 656 -2868 1091 -2172 2122 334 781 3979 919 1743 2392 2070 3134 553 1073 -1 2187 1035 1509 859 -137 149 -1201 -261 82 1295 1007 287 -314 -1435 -1172 488 522 97 908 -416 -1357 -1760 438 -540 -1039 -722 198 -589 -1133 -765 109 -505 -1654 1009 -330 105 -262 -113 332 -639 -267 189 -361 1750 626 445 841 791 -207 231 -1677 -710 -1507 -1978 -546 -828 -129 400 103 344 997 638 490 1615 2 645 -89 270 -225 -521 -239 1783 874 132 -942 244 1805 -412 1303 -274 -1177 -1440 56 15 -242 -742 -2510 1283 417 1698 -99 -572 SS 20230801T114021.6Z 8613.486361 228 1 48.05 2 73.74 79.74 112.81 256.33 0.00 1 0.00 1 0 25 1.339e-01 7.675e-03 4.830e-02 2.633e-03 4.812638e-01 1.358324e-03 5.524853e-03 -6.000000e+00 7.750217e-02 232.11 -2.00 3.47 -2.00 319.55 0.00e+00 9.746879e-04 3.902520e-04 3.305648e-04 -6.000000e+00 3.477255e-03 290.60 -2.00 20.00 -2.00 318.73 0.00e+00 3.510 0.001 302.00 328.00 3 3.6974e+00 3.9093e-03 4.3085e-02 -6.0000e+00 1.9412e-01 3.7607e-02 4.6517e-03 2.5243e-02 -6.0000e+00 2.0975e-01 -2.4284e-02 3.6419e-03 1.2312e-02 -6.0000e+00 1.2513e-01 4.7718e-03 1.9065e-03 3.4833e-03 -6.0000e+00 5.3132e-02 2.2528e-04 -6.2696e-04 7.3525e-05 3.6511e-05 -6.0000e+00 3.5719e-03 3.0205e-02 3.4143e-05 11 8 0 10 0 0 77.31 26.50 0.64 0.03021 0.02549 26 6 1 5 0 1848.020 30.99 25.00 26.50 24.49 3.2 994.04 18206 -81125 -8845 -24431 -31681 -59370 33712 44133 -38647 -8252 -52871 -37166 -8772 6093 20307 -7772 -12469 467 -7347 35087 -10326 3611 5467 -10959 8902 -5228 15425 1983 5277 -13125 8980 -6757 -9167 1214 -10333 484 -6063 569 -7089 3466 -6 -311 -578 2061 1711 5698 2287 6227 563 253 -1185 2174 4016 2732 2042 1567 -837 -2046 -134 -84 1853 1992 1094 297 -656 -1454 1047 1365 1074 14 -215 -241 -866 462 -389 -595 -1243 -655 -650 -307 -1151 -1038 -1675 -1443 152 -763 301 80 -112 949 868 -97 714 133 1516 351 462 716 -63 -385 -535 -665 -556 -387 -993 -856 -455 -747 95 93 -30 452 92 -233 895 382 442 48 762 -276 -270 -260 571 172 86 2 320 754 -103 564 246 -495 -96 -219 5 -304 153 -491 40 -29 408 -14 -317 198 -2657 -157 -495 -632 -1473 364 492 -1088 -189 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