File name: Pandora133s1_Heidelberg_20250324_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20250324T233824.5Z 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 v1.8.75 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20250324_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: 20250324 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 20250324T061724.0Z 9214.262083 104 1 46.90 2 81.40 97.75 76.97 168.12 0.00 1 0.00 1 0 25 6.179e-01 1.657e-02 3.403e-01 8.181e-03 8.244753e-01 4.682826e-03 1.021171e-02 -6.000000e+00 3.601020e-01 225.98 -2.00 3.74 -2.00 321.91 0.00e+00 5.426545e-03 2.419302e-03 6.343870e-03 -6.000000e+00 1.667868e-02 271.35 -2.00 20.00 -2.00 321.51 0.00e+00 6.314 0.005 302.00 328.00 3 2.4917e+00 1.6505e-02 8.0495e-02 -6.0000e+00 8.9586e-01 3.5521e-01 2.4971e-02 5.2999e-02 -6.0000e+00 9.7592e-01 -5.0441e-01 2.8614e-02 3.7337e-02 -6.0000e+00 5.7753e-01 2.0202e-01 1.3357e-02 1.8536e-02 -6.0000e+00 2.4763e-01 4.0342e-05 2.6341e-03 2.3974e-04 3.1332e-04 -6.0000e+00 1.7491e-02 1.5178e-02 0.0000e+00 12 8 8 10 0 0 95.04 22.09 0.26 0.01518 0.03497 65 19 4 8 0 721.380 19.98 22.09 15.61 26.11 26.32 1.9 845.67 -222903 900000 -182036 900000 -218669 900000 -145908 -163287 -193503 -238240 900000 268861 -71371 -14834 143720 900000 -52893 900000 -48886 -80549 900000 -107920 -94292 -48215 -63192 -103718 -52865 5863 900000 88138 84484 -48958 -34921 -62412 -48560 -75026 -47683 -11744 13824 -9656 3288 -4994 28099 -13759 146125 13327 -14874 -19425 -5113 11361 24114 4762 8862 12620 23902 -2680 14233 45076 9706 -1575 13919 803 16364 7384 14189 -663 8533 4729 9510 5709 8968 7855 7727 -999 5546 -4085 -2849 -8428 4669 -5683 755 5607 708 -2544 1904 -1133 1214 3689 2365 -1722 2593 -777 -3441 -2721 135 -3728 1771 600 -130 -880 338 -3158 -463 -97 -2667 -6308 -407 -1220 614 -43 587 -338 -621 -1728 -322 -367 -683 334 -374 634 1355 2937 2508 509 1656 -1746 731 683 848 -123 -249 -574 -404 213 567 -359 1139 141 473 -490 -743 -1344 -2330 900000 -1529 900000 -2232 900000 -1162 -1300 -2036 -4068 900000 2141 -568 -118 1145 900000 -610 900000 -640 -1479 900000 -2547 -2093 -739 -1171 -2968 -921 57 900000 702 673 -1501 -1071 -2508 -1637 -3360 -1867 -393 437 -444 146 -256 1100 -808 1932 642 -974 -1419 -349 741 1579 414 816 1214 2174 -323 1476 3422 984 -179 1468 108 2199 1202 2226 -119 1457 907 1980 1389 2252 2025 1895 -244 1152 -856 -590 -2045 1185 -1891 276 2214 313 -1225 946 -605 655 1962 1257 -895 1219 -366 -1706 -1498 84 -2815 1474 567 -128 -844 294 -2553 -349 -77 -2290 -5874 -386 -1289 718 -57 841 -507 -927 -2532 -450 -511 -992 503 -591 985 2016 4154 3471 690 2175 -2309 972 1024 1443 -235 -516 -1260 -938 522 1460 -957 3033 380 1228 -1206 -1741 -3039 SS 20250324T062440.0Z 9214.267129 108 1 43.33 2 80.23 99.15 76.73 169.72 0.00 1 0.00 1 0 25 5.359e-01 1.270e-02 2.212e-01 4.441e-03 7.400052e-01 2.462160e-03 9.254747e-03 -6.000000e+00 3.112085e-01 225.98 -2.00 3.74 -2.00 321.58 0.00e+00 5.986001e-03 1.196854e-03 5.560823e-03 -6.000000e+00 1.357686e-02 271.35 -2.00 20.00 -2.00 321.17 0.00e+00 5.634 0.004 302.00 328.00 3 2.3025e+00 8.3638e-03 7.1844e-02 -6.0000e+00 7.7356e-01 1.3796e-01 1.2352e-02 4.7805e-02 -6.0000e+00 8.4203e-01 -2.2804e-01 1.4136e-02 3.4079e-02 -6.0000e+00 4.9507e-01 8.9077e-02 6.6651e-03 1.6659e-02 -6.0000e+00 2.1200e-01 1.0302e-04 2.3779e-03 1.2973e-04 2.6636e-04 -6.0000e+00 1.5121e-02 1.7244e-02 0.0000e+00 12 9 9 12 1 1 99.70 22.10 0.27 0.01724 0.03511 84 26 4 8 0 509.240 20.01 22.10 16.47 26.11 26.32 1.9 849.81 -240128 900000 -177486 900000 -260483 900000 -105506 900000 -197359 -106190 -171952 -161553 -145048 -53463 -118890 112210 -31563 41018 -28187 -45955 -152493 -65258 -60507 -21056 -51629 -32808 -46241 12546 -29903 52219 5000 10073 -2819 -5459 -21667 10863 -36423 312 -10083 2585 601 1699 4710 8475 22244 11555 -6789 4080 11109 9897 13327 13011 11158 9701 11230 5728 7621 17681 -1474 2637 6753 2455 4336 5162 3397 7406 1253 2841 3981 5511 4217 3981 1919 2611 865 -3165 -6486 -6491 -997 -2492 -1501 1641 -1479 -1631 -690 -711 829 800 1031 -27 870 -1175 -2427 -2458 -1448 -2069 1022 529 591 -76 -357 -2584 -416 -984 -1624 -2561 107 -1005 310 905 895 -276 604 -1398 -416 -787 -70 377 430 246 1222 1060 1281 -265 606 -956 797 561 496 33 -8 -918 -261 -214 205 -464 1185 282 165 -341 -156 -1111 -2739 900000 -1326 900000 -3893 900000 -456 900000 -2174 -551 -1691 -1779 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3.1700e-03 6.2035e-02 -6.0000e+00 5.2885e-01 2.9201e-02 4.4314e-03 4.0555e-02 -6.0000e+00 5.7476e-01 -6.7970e-02 4.9743e-03 2.8727e-02 -6.0000e+00 3.4047e-01 1.9494e-02 2.4231e-03 1.3784e-02 -6.0000e+00 1.4535e-01 4.2048e-04 2.7451e-03 5.3883e-05 1.7983e-04 -6.0000e+00 1.0132e-02 1.4472e-02 0.0000e+00 11 8 0 10 0 0 84.58 22.11 0.20 0.01447 0.03510 248 72 4 8 0 188.090 19.96 22.11 17.40 26.11 26.32 1.9 856.65 -123562 -115244 -125987 -156351 -121643 -149326 -58062 -117188 -47609 -107665 -91182 -109227 -81396 -58051 -46387 -50723 -9154 -31786 -14783 -37728 -28881 -60353 -11389 -36139 -23293 -35033 -24244 -32771 -7201 -16062 -9568 -17934 2264 -12742 -9300 -22966 -15883 -11014 -1917 -6456 1927 -1745 1490 -567 7853 401 -836 -328 3203 629 3404 2910 3215 3438 3597 944 2123 2702 571 1536 1874 1825 4696 4517 2912 1447 864 323 2415 1672 2194 1502 920 487 24 -2343 -3319 -3668 -1807 -2195 -1170 -1213 -2568 -1223 -123 365 621 1629 1577 1078 1004 -524 -1822 -1207 -1101 -609 1086 1161 249 -303 -728 -1993 -829 -686 -1423 -1294 -496 -537 504 843 690 1 194 -704 -869 -54 -203 540 474 322 418 1013 899 384 278 -969 -57 606 -16 97 -419 -508 -662 83 -3 -61 813 566 -106 -50 -265 -772 -699 -694 -897 -1427 -733 -1227 -212 -877 -200 -884 -682 -1196 -892 -657 -593 -806 -109 -528 -224 -758 -538 -1565 -195 -864 -523 -934 -584 -838 -147 -419 -286 -694 82 -499 -370 -1002 -743 -594 -116 -481 146 -146 127 -51 661 38 -82 -34 337 75 445 425 513 593 650 182 411 510 107 290 379 418 1199 1271 838 414 253 102 850 674 942 658 390 192 9 -780 -1094 -1309 -745 -1077 -603 -702 -1613 -807 -86 269 474 1245 1182 763 662 -334 -1177 -846 -889 -569 1155 1379 284 -359 -794 -1980 -783 -688 -1532 -1463 -596 -702 672 1253 1108 2 311 -1084 -1274 -78 -304 848 783 534 671 1558 1338 550 416 -1421 -84 914 -28 183 -862 -1025 -1413 189 -7 -151 2029 1424 -260 -116 -579 -1625 SS 20250324T064110.2Z 9214.278590 115 1 49.57 2 77.59 102.38 76.32 173.39 0.00 1 0.00 1 0 17 2.752e-01 2.859e-02 5.044e-02 1.372e-03 6.001921e-01 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