File name: Pandora133s1_Heidelberg_20240626_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T104102.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora133_OF_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240626_L1_smca1c3d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20240626 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: None First and last pixel inside fitting window: 227 368 Nominal wavelengths inside fitting window [nm]: 305.0728 305.2141 305.3553 305.4966 305.6378 305.7790 305.9202 306.0614 306.2026 306.3438 306.4849 306.6261 306.7672 306.9083 307.0494 307.1905 307.3316 307.4727 307.6138 307.7548 307.8959 308.0369 308.1779 308.3189 308.4599 308.6009 308.7418 308.8828 309.0238 309.1647 309.3056 309.4465 309.5874 309.7283 309.8692 310.0100 310.1509 310.2917 310.4326 310.5734 310.7142 310.8550 310.9958 311.1365 311.2773 311.4180 311.5588 311.6995 311.8402 311.9809 312.1216 312.2623 312.4029 312.5436 312.6842 312.8249 312.9655 313.1061 313.2467 313.3872 313.5278 313.6684 313.8089 313.9494 314.0900 314.2305 314.3710 314.5115 314.6519 314.7924 314.9328 315.0733 315.2137 315.3541 315.4945 315.6349 315.7753 315.9157 316.0560 316.1964 316.3367 316.4770 316.6173 316.7576 316.8979 317.0382 317.1784 317.3187 317.4589 317.5991 317.7393 317.8795 318.0197 318.1599 318.3001 318.4402 318.5804 318.7205 318.8606 319.0007 319.1408 319.2809 319.4209 319.5610 319.7010 319.8411 319.9811 320.1211 320.2611 320.4011 320.5410 320.6810 320.8209 320.9609 321.1008 321.2407 321.3806 321.5205 321.6604 321.8002 321.9401 322.0799 322.2198 322.3596 322.4994 322.6392 322.7789 322.9187 323.0585 323.1982 323.3379 323.4776 323.6173 323.7570 323.8967 324.0364 324.1760 324.3157 324.4553 324.5949 324.7346 324.8741 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 20240626T042509.8Z 8943.184141 153 1 47.85 2 82.04 63.15 67.15 198.42 0.00 1 0.00 1 0 25 6.266e-01 2.234e-02 3.952e-01 1.003e-02 8.529855e-01 5.899282e-03 1.241816e-02 -6.000000e+00 3.783001e-01 233.42 -2.00 3.74 -2.00 322.10 0.00e+00 5.116151e-03 3.551874e-03 1.760503e-02 -6.000000e+00 1.690506e-02 281.99 -2.00 20.00 -2.00 321.66 0.00e+00 6.743 0.006 302.00 328.00 3 2.3403e+00 2.3633e-02 1.2147e-01 -6.0000e+00 9.5572e-01 5.5000e-01 3.4441e-02 1.2130e-01 -6.0000e+00 1.0360e+00 -8.4278e-01 3.4229e-02 5.2531e-02 -6.0000e+00 6.1149e-01 3.4358e-01 1.5368e-02 1.0535e-02 -6.0000e+00 2.5520e-01 2.9836e-05 2.4105e-03 2.8788e-04 3.7265e-04 -6.0000e+00 1.7558e-02 1.7833e-02 0.0000e+00 12 8 8 10 0 0 5.76 23.25 0.43 0.01783 0.03595 54 14 4 8 0 885.800 20.01 23.25 25.95 26.94 27.26 1.5 909.07 -45210 -232958 -4863 900000 -235000 900000 -234917 -125241 -106460 -74477 -98094 -65049 47142 -163773 135956 -78553 900000 900000 900000 -75649 -27365 -141181 900000 -18261 900000 -94579 -765 -19876 184584 63373 113930 -19051 66716 -23358 247224 -2418 -14868 -39962 21759 -24739 22420 -16236 205068 1267 101767 -7432 10149 5149 48594 19325 74288 28745 20914 21701 67187 10758 55109 14491 20881 -1318 29484 -6216 50578 17277 22624 22317 19363 12551 15117 8285 23834 16358 14563 1440 13080 -7321 5895 -5093 3523 -9010 2992 6266 7271 -5826 4634 -593 3766 2288 1737 -1971 4158 -6761 -259 -5702 -245 -3688 1325 -870 -704 -3620 995 -4725 -1333 -3201 -4037 -6376 272 -3297 237 48 154 -1223 492 -2613 -454 -573 296 1375 1093 700 2099 2704 2410 -450 2724 -913 1153 1224 936 127 274 -1119 -80 -2 269 -241 916 -500 729 -332 -438 -1887 -442 -5499 -48 900000 -5008 900000 -5215 -1223 -1040 -727 -958 -635 460 -4654 1328 -1395 900000 900000 900000 -1679 -364 -5767 900000 -243 900000 -2855 -9 -265 1803 619 1113 -457 847 -664 2415 -54 -422 -1739 618 -1296 796 -894 2003 61 1988 -403 478 270 1946 1047 2902 1787 1541 1715 3872 1022 3714 1287 1669 -131 2304 -789 4222 2240 2833 2794 2596 1950 2631 1751 4593 3414 2935 302 2172 -1365 963 -1031 788 -2752 951 2186 2705 -2633 2021 -287 1806 1126 841 -931 1731 -3044 -113 -2936 -141 -2610 1050 -799 -671 -3411 817 -3667 -954 -2467 -3348 -5724 248 -3445 273 63 206 -1724 679 -3594 -642 -812 435 2115 1760 1126 3189 3916 3386 -627 3568 -1209 1546 1870 1661 235 556 -2468 -186 -5 716 -661 2528 -1401 1939 -833 -1025 -4260 SS 20240626T043339.3Z 8943.190038 157 1 47.37 2 80.80 64.67 67.56 200.53 0.00 1 0.00 1 0 17 6.073e-01 1.363e-02 2.416e-01 4.936e-03 7.775924e-01 2.795008e-03 1.037609e-02 -6.000000e+00 3.578980e-01 233.42 -2.00 3.74 -2.00 321.83 0.00e+00 2.826397e-03 1.574982e-03 1.095275e-02 -6.000000e+00 1.534180e-02 282.00 -2.00 20.00 -2.00 321.35 0.00e+00 5.937 0.004 302.00 328.00 3 2.0689e+00 1.0653e-02 9.1830e-02 -6.0000e+00 9.0182e-01 2.1745e-01 1.5618e-02 8.3842e-02 -6.0000e+00 9.7307e-01 -4.3084e-01 1.6070e-02 4.0329e-02 -6.0000e+00 5.7650e-01 1.8076e-01 7.3034e-03 9.6843e-03 -6.0000e+00 2.4437e-01 9.5026e-05 2.4318e-03 1.4155e-04 2.4608e-04 -6.0000e+00 1.6610e-02 1.8257e-02 0.0000e+00 12 8 8 10 0 0 1.36 23.27 0.15 0.01826 0.03653 112 30 4 8 0 422.890 20.01 23.27 26.57 26.94 27.26 1.5 912.07 -109040 -245973 -60303 -207603 -162181 -206755 -201915 -249728 -132722 -207987 -199992 -170124 -82322 -105606 -30401 -101175 -4797 -54744 70934 -57788 -66642 -91124 17948 -57461 -5208 -72715 -31370 -42691 -52502 -30688 -2998 -9932 -5209 -18955 16824 -2601 -41391 -32617 17749 7296 1030 3747 23042 19197 8867 3869 1797 21489 4733 8503 13488 15199 20294 6478 14741 11740 14238 10336 14024 -533 6237 8668 7849 13053 9670 11527 5216 5147 1531 6348 6376 7022 4011 2962 -27 420 -4304 -2238 -4954 -3422 -1990 3226 -1595 -2224 -614 1632 170 2445 880 658 181 -751 -3651 -1859 -2108 -1772 396 790 -453 -724 -2418 -1275 -2141 -987 -2404 -2749 -1143 -840 -132 1393 -211 106 110 -273 -746 4 -459 864 501 207 969 1361 979 834 633 -346 878 1331 -222 453 -212 -371 -810 198 1 103 704 267 -120 -121 -414 -1020 -525 -4097 -290 -2347 -1096 -2187 -2264 -4903 -954 -3259 -3100 -2418 -654 -1355 -237 -1827 -39 -784 341 -947 -1191 -2074 156 -1113 -65 -1799 -522 -765 -1069 -593 -55 -230 -130 -551 333 -65 -1684 -1473 610 323 53 199 1061 930 480 226 111 1169 319 614 1056 1304 1804 711 1587 1341 1629 1200 1519 -67 786 1197 1248 2209 1699 1995 984 1050 369 1658 1763 1974 1111 771 -6 93 -993 -555 -1491 -1201 -796 1386 -766 -1148 -335 919 100 1436 514 363 95 -383 -1952 -1084 -1426 -1391 352 780 -469 -720 -2264 -1071 -1760 -841 -2220 -2660 -1174 -936 -163 1907 -318 164 169 -407 -1073 6 -684 1344 812 335 1518 2063 1456 1193 888 -476 1226 2065 -393 874 -445 -821 -1899 489 3 275 1906 729 -315 -305 -991 -2369 SS 20240626T044651.6Z 8943.199209 162 1 48.44 2 78.84 67.02 68.30 203.78 0.00 1 0.00 1 0 25 4.251e-01 7.566e-03 1.414e-01 2.268e-03 6.792432e-01 1.245946e-03 8.852686e-03 -6.000000e+00 2.505539e-01 233.42 -2.00 3.74 -2.00 321.35 0.00e+00 2.533959e-03 6.249876e-04 7.117713e-03 -6.000000e+00 1.073828e-02 282.00 -2.00 20.00 -2.00 320.82 0.00e+00 4.985 0.003 302.00 328.00 3 1.8124e+00 4.3586e-03 7.0982e-02 -6.0000e+00 6.3134e-01 -7.5047e-03 6.1967e-03 5.8310e-02 -6.0000e+00 6.8118e-01 -6.8931e-02 6.5038e-03 2.9729e-02 -6.0000e+00 4.0357e-01 2.1594e-02 3.0472e-03 8.0561e-03 -6.0000e+00 1.7110e-01 3.3014e-04 2.7712e-03 6.5297e-05 1.7467e-04 -6.0000e+00 1.1626e-02 1.7148e-02 0.0000e+00 11 8 0 10 0 0 2.05 23.31 0.23 0.01715 0.03797 237 63 4 8 0 200.130 20.02 23.31 27.17 26.94 27.26 1.5 915.09 -148241 -93243 -123613 -98778 -164850 -138528 -176136 -61442 -160651 -138882 -108862 -55918 -110505 -76637 -73947 -58491 -15023 -31446 -50340 -27464 -41505 -47891 -35209 -42923 -23020 -21953 -37289 -20909 -43961 -30293 -12881 -15401 -19883 -9108 -7066 -17131 -31692 -10816 1652 -1653 -2171 -7799 4433 1808 1395 -196 -3903 -1174 5197 928 1856 5271 3636 4425 5203 1411 3173 1119 1109 -739 2629 1638 4451 4577 1882 3177 1288 1456 2856 1740 3022 2851 1788 957 179 -1363 -3696 -1616 -1563 -2467 -1209 -523 -1922 -743 351 779 350 1438 1470 1139 525 -1218 -1757 -953 -670 -685 437 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