File name: Pandora133s1_Heidelberg_20250101_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20250101T233238.5Z 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_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20250101_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: 20250101 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 20250101T082630.4Z 9132.351741 82 1 36.42 2 82.95 138.47 95.01 124.25 0.00 1 0.00 1 0 17 4.647e-01 3.824e-02 3.365e-01 2.015e-02 8.309909e-01 1.150637e-02 1.089291e-02 -6.000000e+00 2.696336e-01 221.60 -2.00 3.74 -2.00 321.74 0.00e+00 2.031469e-03 5.021819e-03 8.958422e-03 -6.000000e+00 1.346522e-02 268.76 -2.00 20.00 -2.00 321.34 0.00e+00 7.503 0.009 302.00 328.00 3 2.6755e+00 3.7181e-02 9.3948e-02 -6.0000e+00 6.6384e-01 1.1342e+00 4.6230e-02 6.3546e-02 -6.0000e+00 7.2601e-01 -1.3949e+00 4.2003e-02 3.5966e-02 -6.0000e+00 4.3072e-01 5.7457e-01 2.1637e-02 1.2887e-02 -6.0000e+00 1.8616e-01 9.5207e-06 1.4952e-03 5.8143e-04 2.7453e-04 -6.0000e+00 1.3153e-02 1.0360e-02 0.0000e+00 12 9 9 12 9 1 99.39 21.56 0.53 0.01036 0.02160 9 4 2 8 0 3640.420 20.01 21.56 8.48 25.68 25.79 2.1 796.08 178037 -27732 900000 900000 -30041 900000 34804 -53629 34846 -94178 900000 900000 219301 -59430 -13496 75094 900000 900000 -19002 26898 900000 -49104 900000 -37949 900000 -75674 93653 126240 37370 64035 900000 -36477 -2928 159330 -56899 44524 122178 -27472 7064 21138 109089 51881 142466 866 900000 19386 6132 2797 -30669 61478 45720 15321 32290 45967 40880 3195 88209 900000 53100 -32592 19908 5213 11359 17013 17594 44979 32095 18177 12621 24074 14026 32105 33642 14093 12116 -23546 -1045 741 -24211 -6271 2239 21864 -1445 1060 -5502 5751 -1838 5038 2548 6927 13867 -4471 -9001 -386 -1768 -9466 1120 1289 -4865 -2727 -1037 -5738 -1303 -6241 -10828 -2096 4400 -540 -1175 -1714 1572 -2582 1118 -4955 679 1769 17 197 1001 3953 1292 4905 6390 -3555 1385 39 3649 1471 -325 883 -1199 1216 -1143 1379 -1056 -172 1291 734 1185 -874 -2320 -2147 3489 -1173 900000 900000 -899 900000 682 -1955 683 -5210 900000 900000 4297 -3897 -674 1780 900000 900000 -1219 1079 900000 -3622 900000 -2629 900000 -7553 1835 2474 1062 1571 900000 -3179 -203 3122 -5902 1730 2435 -2661 577 1721 4058 3420 3937 91 900000 1676 604 293 -4624 4151 3979 1937 3734 4936 4760 542 6606 900000 4984 -6750 2597 870 2022 3164 3295 6444 5304 3636 2988 5719 3868 7503 7295 3362 2619 -6494 -228 173 -8450 -2189 837 7610 -670 507 -2986 2945 -1036 2690 1360 3347 5868 -2169 -4663 -204 -1100 -7388 922 1192 -4953 -2634 -907 -4703 -968 -5097 -9792 -1845 3912 -552 -1354 -2257 2202 -3905 1637 -7444 932 2398 24 294 1546 5903 1910 6737 8429 -4982 1806 51 4613 2132 -546 1629 -2458 2581 -2619 3276 -2703 -448 3341 1909 2986 -2103 -5292 -4643 SS 20250101T083636.0Z 9132.358750 86 1 45.66 2 81.89 140.56 93.70 126.03 0.00 1 0.00 1 0 25 5.197e-01 2.482e-02 2.871e-01 1.085e-02 7.492041e-01 5.913917e-03 9.794190e-03 -6.000000e+00 2.967995e-01 221.60 -2.00 3.74 -2.00 321.60 0.00e+00 8.623670e-03 2.707351e-03 6.023087e-03 -6.000000e+00 1.307717e-02 268.76 -2.00 20.00 -2.00 321.21 0.00e+00 6.648 0.006 302.00 328.00 3 2.9337e+00 1.9320e-02 7.8570e-02 -6.0000e+00 7.3120e-01 5.9003e-01 2.5521e-02 4.4436e-02 -6.0000e+00 7.9862e-01 -7.8923e-01 2.6004e-02 3.2833e-02 -6.0000e+00 4.7295e-01 3.3956e-01 1.2820e-02 1.8519e-02 -6.0000e+00 2.0420e-01 1.9874e-05 2.4513e-03 3.1221e-04 3.0964e-04 -6.0000e+00 1.4447e-02 8.8810e-03 0.0000e+00 12 8 8 10 0 0 89.48 21.57 0.07 0.00888 0.02730 20 6 2 8 0 2281.920 20.00 21.57 8.74 25.68 25.79 2.0 797.59 -109569 900000 -96411 900000 -132730 900000 -99382 -113704 -112614 -105809 77289 21084 -33973 -86988 -60742 125230 175371 900000 -20368 -39790 -100993 -94784 29613 -48044 298060 -93980 5368 -1335 -20599 49121 -9973 -29387 9614 14178 -9732 -7460 74420 13638 3621 -936 8295 22314 18194 -10656 228114 19879 5898 31575 7413 46201 57316 37487 8639 7398 15869 11653 28232 67565 33741 -4482 6001 -2800 10270 11091 4980 13303 10859 11222 7097 16423 6131 15919 15996 7606 -786 -9896 -1157 -11167 -3783 -8276 -1513 9170 -798 -5160 -289 160 -1238 -582 723 17 11517 -3974 -7439 -4805 -36 -6418 774 206 -13 -2256 259 -3693 -2556 -2687 -3350 -698 1473 -2112 1063 -1842 1803 -2338 661 -2020 -1216 397 -583 1079 1070 2296 2490 2870 727 -2635 3696 -589 1666 437 990 1277 -283 -714 456 143 69 -336 301 29 566 84 -1048 -1934 -2381 900000 -2067 900000 -3167 900000 -1711 -2336 -2393 -2142 817 223 -548 -2911 -1968 1324 1854 900000 -638 -1507 -6501 -5616 567 -1924 3151 -5935 134 -34 -635 923 -387 -1600 408 580 -463 -350 1810 669 229 -70 614 1535 1338 -1035 2464 1514 522 2303 713 3378 4196 3604 1168 1082 2218 1714 3574 5722 3779 -721 926 -529 1959 2325 1115 2716 2319 2536 1878 4471 1949 4654 4441 2119 -212 -2661 -283 -3266 -1222 -3283 -653 4009 -409 -2902 -167 96 -779 -368 446 10 5685 -2174 -4261 -2958 -25 -5378 700 210 -13 -2370 244 -3264 -2138 -2349 -3146 -673 1483 -2398 1309 -2605 2693 -3726 1019 -3065 -1763 566 -865 1664 1713 3662 3845 4238 1070 -3851 4995 -806 2276 668 1697 2421 -584 -1557 1033 345 176 -869 784 76 1441 204 -2429 -4325 SS 20250101T090434.5Z 9132.378177 96 1 46.99 2 79.18 146.48 90.22 131.06 0.00 1 0.00 1 0 25 3.150e-01 1.268e-02 1.302e-01 4.637e-03 6.189897e-01 2.424301e-03 7.649981e-03 -6.000000e+00 1.788484e-01 221.60 -2.00 3.74 -2.00 320.92 0.00e+00 5.042999e-03 9.751443e-04 3.066123e-03 -6.000000e+00 7.626729e-03 268.76 -2.00 20.00 -2.00 320.52 0.00e+00 5.135 0.003 302.00 328.00 3 3.2792e+00 7.4046e-03 6.0544e-02 -6.0000e+00 4.4001e-01 1.5586e-01 9.6766e-03 3.4850e-02 -6.0000e+00 4.7992e-01 -1.8678e-01 1.0218e-02 2.4464e-02 -6.0000e+00 2.8393e-01 7.4225e-02 5.1308e-03 1.2842e-02 -6.0000e+00 1.2181e-01 6.9445e-05 2.5255e-03 1.3422e-04 1.6292e-04 -6.0000e+00 8.5960e-03 1.0033e-02 0.0000e+00 12 8 8 10 0 0 98.73 21.62 0.25 0.01003 0.02901 35 10 1 8 0 1342.350 20.01 21.62 8.78 25.68 25.90 2.0 797.04 -122277 -137955 -104455 -66981 -126510 900000 -74086 -79513 -81740 -64227 -98728 -81638 -49273 -89561 -26146 -2845 -663 20884 -41546 -26907 -59499 -65532 -11719 -17890 -6145 -28624 -35001 -30798 -16100 16560 -2224 -12914 -11239 357 -9560 -1115 -27330 1740 -10988 3533 587 9140 1282 906 16359 10034 -7072 6026 -169 7432 6234 9228 2801 5488 4566 2078 4790 16891 2753 445 -2741 1621 1808 6051 2731 3522 -1126 1106 276 3915 461 4912 1154 2836 -1053 -3321 -4156 -3919 -3549 183 -2436 638 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