File name: Pandora133s1_Heidelberg_20241129_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20241129T232034.8Z 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_20241129_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: 20241129 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 20241129T074330.7Z 9099.321884 98 1 45.89 2 84.92 132.16 74.62 151.65 0.00 1 0.00 1 0 17 5.955e-01 4.487e-02 4.474e-01 2.677e-02 9.903190e-01 1.571510e-02 1.101480e-02 -6.000000e+00 3.367467e-01 221.13 -2.00 3.74 -2.00 322.37 0.00e+00 -2.731915e-02 7.314579e-03 1.067031e-02 -6.000000e+00 1.598171e-02 271.48 -2.00 20.00 -2.00 321.96 0.00e+00 9.732 0.019 302.00 328.00 3 6.7928e-01 5.5689e-02 1.3303e-01 -6.0000e+00 8.2686e-01 1.6277e+00 6.8305e-02 1.1933e-01 -6.0000e+00 9.0206e-01 -1.9179e+00 5.6692e-02 3.9627e-02 -6.0000e+00 5.3741e-01 7.0833e-01 3.0064e-02 1.6446e-02 -6.0000e+00 2.3538e-01 7.9246e-06 3.4606e-03 7.5903e-04 1.6564e-04 -6.0000e+00 1.6393e-02 2.7666e-02 0.0000e+00 12 8 8 10 0 0 74.55 21.42 0.81 0.02767 0.05367 33 10 4 8 0 1390.310 20.00 21.42 6.63 25.47 25.68 2.1 785.39 100233 900000 -8721 142069 -3155 46728 26970 -59305 -13251 42165 900000 900000 7212 58719 4782 68122 27123 314220 9659 -34000 -38597 133948 32782 13329 115830 -71448 37799 36329 48261 -6589 900000 -69067 -13387 -32778 -74154 35490 42158 -12172 78860 30325 33018 41274 195026 -27672 900000 65294 12873 -1498 59212 -23489 900000 20903 104678 -133 189605 21243 114400 900000 65211 -17775 57947 -22070 42966 -3017 36627 1656 33881 12206 66041 37250 52945 37324 63851 -10008 31726 -26836 8667 -4428 33468 -19033 18517 50954 24899 -1008 13877 -7370 12193 19794 9368 -8527 304410 -9333 9837 -3706 9392 -10772 6181 -510 3611 -9486 5577 -9913 1173 -12567 -8181 -17395 9936 -4033 3327 -3338 2843 -2533 2214 -2294 1114 2961 -9029 588 -69 2057 3665 4169 5499 -2058 5345 188 4689 -1327 3289 975 210 -1242 17 -907 -544 -31 3181 -366 1349 -1640 -1488 -1831 2613 900000 -322 3704 -82 1218 703 -3608 -576 1099 900000 900000 298 1531 229 1776 1061 8192 420 -2142 -2348 3492 1140 666 3020 -9003 1396 1205 1258 -312 900000 -6902 -888 -2486 -7088 1262 1599 -981 3177 2300 2582 2935 5084 -3279 900000 2631 854 -117 2666 -2672 900000 1883 4466 -18 4943 2568 5423 900000 4173 -2401 3708 -3452 3971 -479 3906 251 3935 1938 7043 5915 7529 6104 7415 -2158 3910 -5406 1232 -797 4918 -5639 4433 10023 6845 -382 4802 -3266 4508 6708 3375 -3415 7936 -3561 3310 -1643 4318 -7123 4028 -398 2764 -7869 3596 -6625 675 -8816 -5836 -14429 6853 -3604 3217 -4019 3591 -3554 2986 -3159 1439 3769 -13482 838 -102 2896 4804 5207 6582 -2575 6068 221 5578 -1959 5449 1885 454 -2946 44 -2513 -1592 -93 9258 -1095 3746 -4322 -3617 -4258 SS 20241129T074958.4Z 9099.326370 101 1 46.53 2 84.15 133.46 74.17 153.11 0.00 1 0.00 1 0 25 6.504e-01 2.582e-02 4.084e-01 1.333e-02 9.167384e-01 7.685027e-03 1.158218e-02 -6.000000e+00 3.679741e-01 221.13 -2.00 3.74 -2.00 322.36 0.00e+00 1.516899e-03 4.308284e-03 9.849738e-03 -6.000000e+00 1.697768e-02 271.48 -2.00 20.00 -2.00 321.97 0.00e+00 8.732 0.014 302.00 328.00 3 6.6942e-01 2.8790e-02 1.0716e-01 -6.0000e+00 9.0677e-01 1.0995e+00 3.8394e-02 6.3160e-02 -6.0000e+00 9.9113e-01 -1.4466e+00 3.7465e-02 3.5606e-02 -6.0000e+00 5.8784e-01 5.6765e-01 1.7985e-02 1.4940e-02 -6.0000e+00 2.5279e-01 2.3476e-05 3.3557e-03 3.8382e-04 4.0324e-04 -6.0000e+00 1.8485e-02 2.7121e-02 0.0000e+00 12 8 8 10 0 0 24.06 21.42 0.56 0.02712 0.05234 75 22 4 8 0 620.260 19.99 21.42 7.19 25.47 25.68 2.2 790.22 -80021 223002 -46861 900000 -145275 41853 -163472 -20296 -28491 900000 -138893 102315 -4200 -64830 -80403 78383 154299 900000 -33067 -50463 -88234 -17982 147201 59820 2372 -18776 -15870 900000 -63544 223554 -5557 70724 14554 23238 -54933 215204 -80238 57425 51456 63894 47599 96026 280616 51103 276648 82363 -5936 76372 9541 30164 29331 79003 32150 51351 43809 31367 18629 900000 14737 35454 5361 14385 3335 40002 11335 22356 14499 31485 18634 28131 16387 28441 7842 20884 -1159 635 -15151 14953 -578 -212 -3573 16706 5038 6940 1517 -1724 -866 6960 -3940 5708 31518 -686 -7856 -1815 -5601 -3426 -154 791 -1926 -2409 -726 -3122 -4482 -4657 -6617 -7796 -2223 -1469 -1076 1860 835 -2032 -1156 -1232 -1772 -33 -3584 670 1025 1792 2115 2993 3560 1599 2411 315 598 658 1148 1125 146 -628 6 13 186 157 1456 117 -12 -189 -1070 -2239 -1731 2895 -710 900000 -4243 543 -5658 -263 -370 900000 -4207 1328 -55 -1913 -3321 1017 2003 900000 -1054 -1846 -4373 -424 1911 776 50 -487 -375 900000 -2250 2902 -157 1085 429 603 -2852 2793 -6060 1287 1457 1810 1685 2153 3643 1749 3591 2041 -364 2163 563 1602 1765 3170 2238 3151 2998 2480 1649 900000 1200 2531 500 1392 417 3824 1458 2585 1899 3790 2924 4481 3075 4665 1471 3081 -187 93 -2646 2407 -120 -53 -1079 4652 1688 2424 594 -728 -372 2768 -1692 2081 8368 -248 -3217 -803 -3073 -2191 -113 645 -1659 -1987 -532 -2078 -2904 -3204 -4935 -6246 -1841 -1357 -1148 2230 1120 -2928 -1651 -1710 -2398 -44 -5210 986 1555 2645 2957 3980 4566 2025 2959 387 776 994 2021 2250 325 -1518 15 36 501 433 4002 325 -33 -503 -2674 -5397 SS 20241129T080301.2Z 9099.335430 104 1 47.97 2 82.65 136.11 73.32 156.10 0.00 1 0.00 1 0 25 6.184e-01 1.328e-02 2.827e-01 4.722e-03 8.077741e-01 2.598905e-03 1.033826e-02 -6.000000e+00 3.475198e-01 221.13 -2.00 3.74 -2.00 322.00 0.00e+00 7.619506e-03 1.404272e-03 7.124004e-03 -6.000000e+00 1.519549e-02 271.48 -2.00 20.00 -2.00 321.61 0.00e+00 7.232 0.008 302.00 328.00 3 7.1007e-01 9.3483e-03 8.6678e-02 -6.0000e+00 8.5387e-01 3.2310e-01 1.4672e-02 5.1916e-02 -6.0000e+00 9.3168e-01 -4.7810e-01 1.6912e-02 3.9100e-02 -6.0000e+00 5.5415e-01 1.9328e-01 7.7831e-03 2.0770e-02 -6.0000e+00 2.3924e-01 1.1165e-04 3.0766e-03 1.3520e-04 3.5193e-04 -6.0000e+00 1.7204e-02 2.7264e-02 0.0000e+00 12 8 8 10 0 0 53.08 21.46 0.32 0.02726 0.05038 180 52 4 8 0 259.220 19.99 21.46 8.96 25.47 25.68 2.2 804.45 -164095 -236070 31038 900000 -111394 -265318 -186281 -266560 -131752 -170604 -142522 -227918 16237 -160015 -17116 -148007 53835 -71305 -51495 -99871 -57571 -64162 -85855 -64043 -40897 -76764 -41413 -28984 -65174 2240 70053 -5294 -5699 -28412 -35224 -26843 -46895 -22260 6885 -8116 23612 10498 30632 -6598 63915 4698 -3183 12087 11607 -50 16313 13954 16313 14745 11402 8263 6047 25772 5303 11614 9136 3688 6887 14402 9997 10025 5803 6890 5260 8978 5551 4697 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