File name: Pandora133s1_Heidelberg_20240720_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T104111.9Z 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_20240720_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: 20240720 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 20240720T043926.7Z 8967.194059 130 1 47.38 2 82.59 66.88 114.09 253.54 0.00 1 0.00 1 0 25 6.177e-01 3.758e-02 3.660e-01 2.003e-02 8.994507e-01 1.152191e-02 1.071014e-02 -6.000000e+00 3.661670e-01 233.42 -2.00 3.74 -2.00 322.02 0.00e+00 -1.214601e-02 5.320625e-03 1.157541e-02 -6.000000e+00 1.573734e-02 283.77 -2.00 20.00 -2.00 321.49 0.00e+00 7.169 0.008 302.00 328.00 3 2.8289e+00 4.1165e-02 1.1101e-01 -6.0000e+00 9.2327e-01 1.3508e+00 5.0556e-02 1.0640e-01 -6.0000e+00 9.9740e-01 -1.8061e+00 3.5742e-02 3.8142e-02 -6.0000e+00 5.9120e-01 7.0272e-01 1.7928e-02 9.6227e-03 -6.0000e+00 2.4951e-01 1.0414e-05 3.3161e-03 5.4980e-04 1.1714e-04 -6.0000e+00 1.6926e-02 2.2526e-02 0.0000e+00 12 8 8 10 0 0 69.29 23.63 0.57 0.02253 0.04744 22 6 4 8 0 2153.280 20.00 23.63 26.07 27.26 27.56 1.5 907.16 123852 7127 48846 17963 88221 207634 41705 -29841 83710 -76394 164162 35348 105198 -28314 -25143 25465 900000 126407 248376 7867 -4133 -30718 47695 -31800 105861 -42315 69866 70591 72220 66240 79122 -48024 11911 -4220 201253 -11936 121331 -9465 103135 46280 127342 6743 306192 19300 46122 35099 -20337 -231 2240 -20020 132296 45647 70054 -41109 100263 7442 80562 123638 76794 -13228 12039 6318 52393 12829 9608 36035 13160 -12930 28915 34042 46667 32894 30482 -3937 -12254 -14820 15847 -14415 -12510 3829 -12027 49225 134 1992 3249 9676 7343 5237 1278 -3019 -7294 -8203 -10460 -6470 -3299 -2387 3940 1999 -2412 -4096 1312 -11099 -123 -1288 -1159 -1681 2799 -1785 -197 59 -1556 -4233 867 -2437 -108 75 -494 1279 -49 -721 3718 6647 1843 -763 2700 2407 480 2251 -1075 -930 -1746 -1064 -709 1772 1815 -786 2126 -532 1251 -705 -1503 -2395 2419 409 1706 691 1723 4055 1111 -1766 1737 -7372 3206 1273 2119 -2346 -2232 1432 900000 2700 4851 504 -275 -2568 1950 -3030 2801 -4533 2333 2001 1865 1961 2343 -5452 818 -322 3931 -895 2765 -918 4029 3499 4642 794 5980 1800 3109 2543 -2524 -24 236 -2863 4737 4220 5473 -9785 6462 1210 6451 6245 5499 -2142 1607 951 5798 2206 1695 4973 2288 -3161 5497 6870 8719 6981 6191 -980 -2903 -3377 2641 -3575 -3499 1081 -4637 11985 55 859 1472 4292 3414 2485 610 -1402 -3318 -3680 -4995 -3354 -1949 -1644 2976 1728 -2240 -3695 1020 -8734 -84 -941 -901 -1389 2398 -1780 -222 74 -2184 -6364 1237 -3487 -150 105 -701 1887 -77 -1115 5423 9041 2547 -1044 3477 3038 645 3415 -1957 -1851 -3849 -2503 -1784 4556 4947 -2251 5996 -1534 3480 -1853 -3701 -5662 SS 20240720T052528.7Z 8967.226026 136 1 49.35 2 75.52 75.17 121.01 261.18 0.00 1 0.00 1 0 25 2.171e-01 6.995e-03 3.283e-02 1.075e-03 5.681639e-01 5.749247e-04 6.972995e-03 -6.000000e+00 1.278739e-01 233.42 -2.00 3.74 -2.00 320.60 0.00e+00 2.370793e-03 2.288373e-04 2.912487e-03 -6.000000e+00 5.524968e-03 283.77 -2.00 20.00 -2.00 319.97 0.00e+00 3.915 0.001 302.00 328.00 3 1.6951e+00 1.8102e-03 5.1726e-02 -6.0000e+00 3.2201e-01 -1.7598e-02 2.3069e-03 3.5355e-02 -6.0000e+00 3.4741e-01 -3.0126e-02 2.1538e-03 1.9069e-02 -6.0000e+00 2.0604e-01 4.3006e-03 1.0685e-03 6.2573e-03 -6.0000e+00 8.7430e-02 1.1017e-03 2.8293e-03 3.1232e-05 8.9464e-05 -6.0000e+00 5.9390e-03 2.1941e-02 0.0000e+00 11 8 0 10 0 0 -20.87 23.65 0.19 0.02194 0.04320 436 116 2 8 0 108.680 20.00 23.65 27.36 27.26 27.56 1.5 915.70 -72905 -77074 -63214 -75424 -81151 -85362 -72285 -59864 -61208 -61836 -50375 -52291 -38183 -35923 -29685 -20073 -22182 -16856 -5990 -10797 -10849 -21181 -8328 -12553 -10688 -14258 -5602 -15806 -10623 -13761 -7257 -6299 -1463 -7484 -4674 -9136 -9636 -4403 -1052 177 -583 -165 293 674 858 1424 -1077 1299 -1811 1374 1166 2602 2047 1568 2044 2490 1438 1277 1167 961 1456 2478 3402 2715 1462 886 -83 21 1144 1129 1456 1324 1151 700 -401 -1470 -2798 -2244 -2115 -1863 -1408 -1434 -2188 -916 -457 498 443 1600 1077 1252 705 -292 -1101 -641 -1003 -302 672 571 161 -21 -888 -1530 -616 -831 -1325 -935 -590 -396 509 810 626 235 12 -438 -335 -146 -4 290 394 -94 205 668 500 326 201 -742 440 676 160 104 -387 -360 -418 110 44 -72 791 329 -161 -60 -245 -662 -634 -792 -590 -743 -791 -903 -750 -627 -731 -791 -607 -762 -612 -708 -675 -480 -600 -475 -163 -324 -330 -728 -272 -466 -416 -604 -217 -649 -420 -636 -372 -371 -84 -460 -293 -636 -708 -372 -105 20 -74 -22 41 95 123 207 -164 199 -300 240 228 551 475 393 533 670 398 348 312 261 422 796 1222 1059 570 336 -32 9 525 538 739 682 573 356 -186 -627 -1172 -994 -1086 -1023 -882 -999 -1635 -721 -386 440 407 1472 975 1060 557 -219 -825 -515 -921 -317 738 694 200 -25 -978 -1671 -653 -944 -1488 -1099 -737 -532 746 1214 999 379 19 -698 -504 -217 -6 474 629 -152 324 1095 793 493 294 -1052 623 1052 280 185 -734 -715 -873 227 97 -163 1810 761 -363 -128 -535 -1397 SS 20240720T055512.4Z 8967.246671 140 1 50.30 2 70.80 80.51 125.55 266.31 0.00 1 0.00 1 0 17 6.122e-02 6.747e-03 6.542e-03 4.809e-04 4.420267e-01 2.511906e-04 5.352921e-03 -6.000000e+00 3.605935e-02 233.42 -2.00 3.74 -2.00 319.56 0.00e+00 1.637471e-03 7.061820e-05 1.034549e-03 -6.000000e+00 1.557953e-03 283.77 -2.00 20.00 -2.00 318.87 0.00e+00 3.005 0.001 302.00 328.00 3 1.2907e+00 7.1908e-04 3.8948e-02 -6.0000e+00 9.0805e-02 -2.6158e-02 8.4697e-04 2.4934e-02 -6.0000e+00 9.7966e-02 -7.9586e-03 6.7041e-04 1.2887e-02 -6.0000e+00 5.8101e-02 -3.4898e-03 3.4893e-04 4.4115e-03 -6.0000e+00 2.4655e-02 4.4739e-03 2.8895e-03 1.4117e-05 4.6946e-05 -6.0000e+00 1.6747e-03 2.1721e-02 0.0000e+00 11 8 0 10 0 0 -1.33 23.71 0.18 0.02172 0.04343 996 265 2 8 0 47.580 20.02 23.71 29.46 27.35 27.56 1.4 930.20 -14496 -19623 -15129 -21996 -20775 -27710 -18787 -22045 -15621 -20187 -18233 -15769 -9564 -8800 -3168 -3692 -2200 -1525 -253 -1905 -1004 -3041 -984 -2858 -2921 -2003 -2897 -5807 -4202 -4125 -1706 -531 -265 -3940 -3954 -5098 -4416 -2628 -693 -442 -632 -246 178 386 949 649 -63 -124 -709 376 982 1022 1512 1099 1231 1220 792 560 257 560 1038 1888 2690 2146 621 610 -783 -230 980 774 901 866 817 722 -129 -963 -2215 -2015 -1687 -1795 -1334 -1756 -2004 -1075 -419 203 414 1207 1153 1040 862 -271 -641 -515 -549 -153 779 561 -17 -199 -995 -1481 -652 -563 -1315 -851 -756 -265 473 734 662 213 80 -489 -279 -18 -66 390 519 -150 204 482 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