File name: Pandora32s1_GreenbeltMD_20230906_L2Fit_fout2c12d20221109p1-8.txt File generation date: 20230907T120352.0Z 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_20230906_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: 20230906 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 20230906T113331.9Z 8649.481619 225 1 49.04 2 80.59 89.32 19.54 228.76 0.00 1 0.00 1 0 17 5.380e-01 1.556e-02 1.799e-01 4.655e-03 6.894360e-01 2.555430e-03 8.179633e-03 -6.000000e+00 3.147375e-01 229.96 -2.00 3.47 -2.00 321.35 0.00e+00 6.168372e-03 1.303718e-03 4.326698e-03 -6.000000e+00 1.452061e-02 289.39 -2.00 20.00 -2.00 320.73 0.00e+00 5.814 0.003 302.00 328.00 3 2.1471e+00 9.1665e-03 7.0279e-02 -6.0000e+00 7.8517e-01 2.2113e-01 1.2506e-02 4.3034e-02 -6.0000e+00 8.5162e-01 -3.8041e-01 1.1693e-02 2.2736e-02 -6.0000e+00 5.0443e-01 1.5471e-01 5.5233e-03 7.0222e-03 -6.0000e+00 2.1257e-01 1.0096e-04 -6.9329e-04 1.2969e-04 1.2485e-04 -6.0000e+00 1.4786e-02 2.8656e-02 9.6057e-05 12 9 8 11 12 0 17.33 26.98 0.94 0.02866 0.02345 48 11 1 5 0 1021.510 31.41 25.01 26.98 30.86 3.3 1028.76 -187191 -204027 -74359 -134275 -107643 -220137 900000 900000 -124805 -131637 -185672 -179006 -21784 -40193 255713 19246 -74340 142 -61986 900000 -56818 5305 35256 -47140 -2889 -23843 900000 37858 47431 -48050 123925 -61249 -13637 -123 2838 -12021 -22667 -5452 -11050 43582 17334 15007 -10833 37996 13861 41512 15846 56993 11093 3281 10520 19209 27505 12785 13878 12234 212 1261 8075 4596 4668 4591 9159 1909 3338 713 10496 7387 1060 5005 279 990 -655 4802 -1507 -1149 695 -3 -1612 -1073 -1549 1196 -2351 -1894 2759 -139 -1819 -277 3 2246 1347 -2786 -360 -1371 -2015 -970 -708 1078 -1731 -1219 -1006 -2209 -1783 -1733 -903 -1790 -1093 -1086 -21 691 -583 1013 -271 87 1541 -529 -70 83 702 203 54 485 1305 1798 284 245 339 794 -6 432 633 -142 -234 433 -116 280 -78 -1034 461 211 5 -341 -952 -3070 -4770 -519 -1687 -939 -5531 900000 900000 -1524 -1837 -4600 -4560 -156 -456 1160 189 -1972 2 -1752 900000 -1646 88 440 -1316 -60 -640 900000 544 610 -1707 937 -3334 -588 -5 110 -523 -1165 -276 -667 1977 1071 1026 -1013 2442 1064 2684 1255 3361 1003 342 1131 2132 3100 1816 2073 1934 39 229 1330 767 797 859 1873 478 889 194 2527 1879 315 1654 108 372 -249 1766 -541 -368 202 -1 -537 -424 -678 587 -1326 -1134 1682 -93 -1313 -204 2 1570 892 -1797 -217 -854 -1413 -786 -624 1078 -1974 -1413 -1100 -2198 -1603 -1655 -855 -1827 -1171 -1246 -26 905 -867 1592 -437 136 2261 -760 -100 125 1111 339 91 776 1990 2647 409 341 485 1095 -9 771 1176 -285 -496 917 -264 674 -194 -2630 1158 514 12 -734 -2101 SS 20230906T114244.0Z 8649.488010 230 1 48.68 2 78.80 90.77 20.88 233.19 0.00 1 0.00 1 0 17 3.565e-01 9.477e-03 7.362e-02 2.712e-03 6.058414e-01 1.440137e-03 7.039933e-03 -6.000000e+00 2.062424e-01 229.96 -2.00 3.47 -2.00 320.78 0.00e+00 3.582601e-03 6.177980e-04 2.190213e-03 -6.000000e+00 9.258575e-03 289.39 -2.00 20.00 -2.00 320.09 0.00e+00 4.967 0.002 302.00 328.00 3 2.1329e+00 4.6795e-03 5.8981e-02 -6.0000e+00 5.1397e-01 5.4577e-02 6.1052e-03 3.3556e-02 -6.0000e+00 5.5643e-01 -1.3414e-01 5.5803e-03 1.7550e-02 -6.0000e+00 3.3131e-01 5.1637e-02 2.7395e-03 5.4944e-03 -6.0000e+00 1.4071e-01 2.5074e-04 -5.5351e-04 7.5326e-05 7.5244e-05 -6.0000e+00 9.5736e-03 2.8587e-02 8.4733e-05 12 9 8 11 4 0 98.96 27.01 0.62 0.02859 0.02443 84 20 1 5 0 579.510 31.41 25.00 27.01 31.67 3.3 1032.54 -92888 -159835 -80111 -126202 -140449 -145344 900000 -80443 -121208 -79100 -136506 -103173 -63002 -31397 13814 -36389 -23313 -14236 2757 37244 -38530 -25331 -12638 -30623 -27683 -20452 12707 1951 -21186 -36822 15865 -24977 -13006 -915 -9787 -1777 -15634 7289 -10551 8407 -877 3740 -6823 9561 9577 7487 5114 11482 -566 -3973 1392 11164 6396 7207 6612 2746 1383 177 1044 -769 1968 4405 3424 2128 2047 1982 2671 2985 1761 2731 976 -146 323 795 -916 -1044 -1612 -1347 -1921 -1763 -1661 -1403 -2114 -1696 989 -508 77 473 423 678 361 36 -3 -632 -40 -242 -194 564 -334 -1052 -499 -1769 -392 -884 -1428 -1225 -1274 -383 580 199 473 281 374 56 638 641 30 -16 -83 59 110 456 353 228 596 164 505 846 -124 308 103 -62 -453 231 -151 167 142 -273 -96 -8 -66 -257 -310 -757 -3064 -759 -1891 -2228 -2306 900000 -870 -2057 -1046 -3068 -1819 -1000 -468 166 -802 -514 -317 62 627 -1316 -759 -343 -1073 -1025 -748 373 62 -766 -1631 526 -1376 -742 -51 -578 -94 -1020 447 -951 756 -99 435 -932 1146 1167 954 682 1478 -85 -658 240 1963 1200 1457 1431 645 341 44 253 -186 476 1135 1012 719 739 704 912 1032 673 1193 485 -72 158 399 -430 -442 -631 -522 -821 -887 -912 -880 -1473 -1253 760 -424 63 401 360 559 300 28 -2 -473 -33 -214 -198 656 -405 -1304 -581 -2007 -401 -906 -1583 -1445 -1486 -472 769 279 731 462 618 89 957 916 44 -23 -133 99 185 743 555 348 925 246 724 1240 -193 537 187 -119 -919 468 -327 384 317 -624 -219 -19 -146 -536 -660 SS 20230906T114902.7Z 8649.492392 233 1 48.55 2 77.57 91.77 21.85 235.96 0.00 1 0.00 1 0 17 2.243e-01 6.905e-03 4.154e-02 1.582e-03 5.599419e-01 8.272761e-04 6.426319e-03 -6.000000e+00 1.288833e-01 229.96 -2.00 3.47 -2.00 320.34 0.00e+00 2.376505e-03 3.079346e-04 1.158609e-03 -6.000000e+00 5.797492e-03 289.39 -2.00 20.00 -2.00 319.60 0.00e+00 4.514 0.002 302.00 328.00 3 1.6845e+00 2.5426e-03 5.3446e-02 -6.0000e+00 3.2125e-01 1.8512e-02 3.1803e-03 2.9660e-02 -6.0000e+00 3.4772e-01 -7.1003e-02 2.7800e-03 1.5088e-02 -6.0000e+00 2.0766e-01 2.3706e-02 1.4084e-03 4.6431e-03 -6.0000e+00 8.8502e-02 6.3017e-04 -6.0370e-04 4.3963e-05 5.4302e-05 -6.0000e+00 5.9813e-03 2.8329e-02 5.7835e-05 11 9 0 11 4 0 19.86 27.05 0.51 0.02833 0.02379 149 35 1 5 0 325.790 31.41 25.00 27.05 32.06 3.2 1033.93 -75699 -109943 -36918 -93740 -68761 -113181 -32608 -19232 -87085 -15842 -78886 -47001 -28378 -28055 -17687 -28044 -2320 -16227 -6177 7641 -19092 -11500 -14121 -10437 -15436 -2759 1147 -5143 -4472 -21603 1497 -12882 -667 -4374 -5125 5781 -11159 -589 -3598 5562 -107 -471 -2326 -451 4043 2047 2740 4109 693 -52 -122 5221 3148 3683 3215 678 1550 -1658 1322 -811 2303 2433 1947 2567 703 750 1627 1721 1324 852 811 201 251 423 -522 5 -1536 -1063 -1921 -328 -1165 -891 -2138 -1667 23 -753 36 455 240 870 548 631 -384 125 54 -209 184 209 -377 -538 -500 -1026 -839 -525 -1214 -952 -868 -537 317 312 514 334 330 258 437 521 184 221 -29 -115 -274 146 548 158 382 -74 219 928 154 254 48 -278 -272 166 -139 -64 167 -41 31 -268 103 -211 -278 -839 -2051 -362 -1617 -849 -2080 -284 -167 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