File name: Pandora133s1_Heidelberg_20240614_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T104748.1Z 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_20240614_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: 20240614 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 --------------------------------------------------------------------------------------- SU 20240614T172327.8Z 8931.724628 5271 1 47.90 2 72.15 285.25 49.26 170.54 0.00 1 0.00 1 0 25 2.997e-01 2.229e-02 1.839e-01 1.039e-02 4.829643e-01 5.517385e-03 5.962536e-03 -6.000000e+00 1.776606e-01 233.28 -2.00 3.74 -2.00 319.97 0.00e+00 4.374616e-03 1.680313e-03 1.577399e-03 -6.000000e+00 7.625613e-03 280.94 -2.00 20.00 -2.00 319.34 0.00e+00 3.218 0.001 302.00 328.00 3 6.1359e+00 1.6104e-02 4.2193e-02 -6.0000e+00 4.4731e-01 2.1612e-01 1.9023e-02 2.7352e-02 -6.0000e+00 4.8287e-01 -1.5611e-01 1.5135e-02 1.5002e-02 -6.0000e+00 2.8517e-01 6.3466e-02 7.8219e-03 6.3375e-03 -6.0000e+00 1.2047e-01 2.4371e-05 1.0046e-03 3.0764e-04 7.7059e-05 -6.0000e+00 8.2131e-03 1.6566e-02 0.0000e+00 12 8 8 10 0 0 99.98 23.02 0.68 0.01657 0.02412 19 5 1 8 0 2520.500 20.00 23.02 24.15 26.73 27.05 1.5 895.42 -25356 -70999 116037 12930 -35857 900000 -66821 20410 233625 -75528 12161 12267 28299 -66673 59788 -8773 55728 -35371 40148 -9911 -635 -49281 16838 -27461 83219 -5446 17703 -14 43418 3681 21033 -10063 25141 -288 34807 -30039 23624 -7537 11571 -4837 7648 -3368 18007 13 21817 -7598 5445 -12357 15482 3015 11991 -2589 8887 -2907 11108 -108 540 -3159 16296 1481 2903 -709 2851 384 9066 1135 1096 -4842 3230 4377 6857 -82 2324 -2706 -3369 -7225 -4641 -8808 -5237 -8439 -1157 874 -285 -3676 168 -603 308 1925 713 491 3714 -1399 -2898 -2455 166 -1502 2439 1800 941 -648 145 -1921 -247 -2193 -820 -1786 1169 -187 -1026 637 1668 -749 -568 -1280 -1315 347 514 89 -467 620 2075 1159 2212 226 -269 -692 1116 2127 1224 -710 -1341 -758 -2140 806 121 -277 1882 118 1791 -374 -1563 -1684 -596 -2853 1176 227 -899 900000 -2382 354 2367 -3647 261 297 716 -4972 1623 -509 1915 -3054 1794 -732 -43 -5260 1010 -2614 2924 -455 1181 -1 2140 286 1579 -1146 2262 -33 2718 -4445 2362 -1184 1807 -1009 1534 -784 3540 3 4252 -1975 1255 -3410 3356 776 3094 -830 2723 -1055 3643 -41 203 -1209 5096 536 1097 -304 1302 192 4127 529 501 -2421 1667 2501 4087 -53 1427 -1647 -1880 -3805 -2253 -4591 -2959 -5654 -818 664 -233 -3251 153 -582 307 1912 709 463 3149 -1170 -2370 -2092 153 -1587 2793 2258 1219 -821 169 -2104 -259 -2473 -974 -2224 1495 -256 -1526 1008 2762 -1263 -925 -1982 -1938 496 749 138 -763 1025 3346 1827 3357 335 -386 -955 1509 3040 1927 -1213 -2426 -1412 -4170 1616 256 -601 4108 263 3844 -786 -3187 -3324 SU 20240614T172518.9Z 8931.725913 5274 1 2.61 2 72.44 285.57 49.22 171.14 0.00 1 0.00 1 0 17 1.209e-01 7.526e-03 4.197e-02 2.402e-03 4.902242e-01 1.265262e-03 5.975023e-03 -6.000000e+00 7.133229e-02 233.28 -2.00 3.74 -2.00 319.72 0.00e+00 2.207992e-03 3.724370e-04 1.293111e-03 -6.000000e+00 3.041208e-03 280.94 -2.00 20.00 -2.00 319.09 0.00e+00 3.268 0.001 302.00 328.00 3 1.2990e+00 3.6356e-03 4.2799e-02 -6.0000e+00 1.7975e-01 1.0895e-02 4.3126e-03 2.7877e-02 -6.0000e+00 1.9390e-01 -1.8629e-02 3.5942e-03 1.4704e-02 -6.0000e+00 1.1482e-01 7.5151e-04 1.8698e-03 5.2513e-03 -6.0000e+00 4.8728e-02 3.1944e-03 2.2118e-03 6.9346e-05 5.7292e-05 -6.0000e+00 3.3041e-03 6.6472e-03 0.0000e+00 12 9 1 12 1 1 86.25 23.02 0.14 0.00665 0.02327 33 165 2 8 0 76.360 20.00 23.02 24.16 26.73 27.05 1.5 895.73 4710 -41840 -21830 -41368 -34546 -74482 -54335 -19864 -563 -53276 -13189 -39254 -7502 -16507 244 -7471 2360 -10119 3389 -6626 -1885 -5825 -4255 -1638 8319 -3767 -5442 -8214 -4529 -8194 -911 -3857 1876 -5954 -1864 -8302 -3927 -3631 1526 -760 938 -1076 328 -40 1681 1093 600 311 352 519 1211 1076 2489 1415 1801 1364 904 584 -179 -23 1164 1458 2621 2442 1436 908 -827 -1052 1022 1081 1137 495 951 702 405 -1462 -2154 -2809 -1366 -1797 -1100 -1731 -2359 -1234 -412 160 508 1183 1402 1089 434 -150 -811 -674 -599 -265 658 629 229 -415 -656 -1436 -631 -534 -1175 -887 -951 -631 613 795 831 143 44 -434 -254 96 227 339 504 185 184 510 631 533 87 -778 427 670 44 -14 -294 -189 -515 99 84 -180 713 251 -253 -56 -337 -514 53 -815 -364 -786 -578 -1834 -1204 -364 -10 -1576 -277 -1182 -203 -601 9 -335 105 -554 173 -392 -108 -350 -268 -108 529 -283 -416 -614 -321 -658 -79 -391 202 -703 -200 -983 -507 -544 265 -154 203 -251 79 -10 409 271 151 79 92 145 362 352 867 533 686 539 365 233 -70 -9 483 669 1294 1300 762 461 -421 -556 595 698 770 345 641 455 245 -813 -1172 -1587 -843 -1263 -855 -1469 -2096 -1126 -401 161 530 1249 1452 1087 411 -134 -718 -611 -596 -293 787 818 300 -536 -801 -1643 -708 -624 -1450 -1144 -1275 -883 903 1232 1341 233 70 -669 -373 140 335 519 818 303 295 810 984 808 127 -1119 602 998 72 -24 -523 -343 -960 192 170 -369 1482 530 -524 -114 -668 -982 SU 20240614T172724.0Z 8931.727361 5277 1 18.63 2 72.77 285.94 49.18 171.81 0.00 1 0.00 1 0 17 1.054e-01 7.002e-03 4.023e-02 1.991e-03 5.008239e-01 1.050766e-03 6.108378e-03 -6.000000e+00 6.214646e-02 233.28 -2.00 3.74 -2.00 319.91 0.00e+00 1.891967e-03 3.279539e-04 1.257121e-03 -6.000000e+00 2.650843e-03 280.94 -2.00 20.00 -2.00 319.29 0.00e+00 3.326 0.001 302.00 328.00 3 2.6864e+00 3.0528e-03 4.3708e-02 -6.0000e+00 1.5660e-01 2.3682e-02 3.6654e-03 2.8656e-02 -6.0000e+00 1.6896e-01 -8.7779e-03 3.1631e-03 1.4973e-02 -6.0000e+00 1.0005e-01 -5.2058e-03 1.6344e-03 5.1170e-03 -6.0000e+00 4.2437e-02 7.3753e-04 1.8304e-03 5.7534e-05 5.6387e-05 -6.0000e+00 2.8807e-03 1.0216e-02 0.0000e+00 12 9 1 12 1 1 99.96 23.02 0.15 0.01022 0.02397 70 49 4 8 0 258.610 20.00 23.02 24.21 26.73 27.05 1.6 896.25 -40290 -29356 -41975 -25916 -50218 -28466 -44866 -18408 -32956 -24928 -31484 -19161 -24590 -4943 -6922 -1482 -3710 -7206 -2089 1424 -3369 -6497 -3837 -201 -5208 -1943 -7235 -6201 -9017 607 -4566 228 -1149 -3875 -6180 -5327 -9260 -3084 -629 392 -2319 493 -369 187 676 1377 -418 -231 -1851 1498 472 1585 1831 1410 14 1927 561 556 410 616 1260 1957 2804 2371 876 996 -668 -402 905 1190 874 1572 749 1109 -233 -1178 -2738 -2260 -1765 -1738 -1679 -1250 -1676 -994 -624 166 415 1467 822 1634 722 -83 -1306 -572 -392 -287 756 898 53 -332 -866 -1186 -661 -601 -1497 -904 -689 -514 358 686 636 370 105 -439 -301 -16 -2 389 498 -261 200 560 587 279 438 -569 584 600 189 22 -314 -497 -412 170 69 -53 631 291 -87 -72 -188 -784 -562 -415 -704 -348 -789 -367 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