File name: Pandora21s1_Bremen_20221120_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T130350.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c1p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20221120_L1_smca1c1d20201116p1-8.txt Full location name: Bremen University Short location name: Bremen Country of location: Germany Location latitude [deg]: 53.0813 Location longitude [deg]: 8.8126 Location altitude [m]: 50 Local noon date: 20221120 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 286 428 Nominal wavelengths inside fitting window [nm]: 305.0633 305.2039 305.3445 305.4851 305.6257 305.7662 305.9068 306.0473 306.1878 306.3283 306.4688 306.6093 306.7497 306.8902 307.0306 307.1711 307.3115 307.4519 307.5923 307.7326 307.8730 308.0134 308.1537 308.2940 308.4343 308.5747 308.7149 308.8552 308.9955 309.1357 309.2760 309.4162 309.5564 309.6966 309.8368 309.9770 310.1172 310.2573 310.3975 310.5376 310.6777 310.8178 310.9579 311.0980 311.2380 311.3781 311.5181 311.6582 311.7982 311.9382 312.0782 312.2182 312.3581 312.4981 312.6380 312.7779 312.9179 313.0578 313.1976 313.3375 313.4774 313.6172 313.7571 313.8969 314.0367 314.1765 314.3163 314.4561 314.5959 314.7356 314.8754 315.0151 315.1548 315.2945 315.4342 315.5739 315.7135 315.8532 315.9928 316.1325 316.2721 316.4117 316.5513 316.6908 316.8304 316.9700 317.1095 317.2490 317.3885 317.5280 317.6675 317.8070 317.9465 318.0859 318.2254 318.3648 318.5042 318.6436 318.7830 318.9224 319.0617 319.2011 319.3404 319.4798 319.6191 319.7584 319.8977 320.0369 320.1762 320.3155 320.4547 320.5939 320.7331 320.8723 321.0115 321.1507 321.2899 321.4290 321.5682 321.7073 321.8464 321.9855 322.1246 322.2637 322.4028 322.5418 322.6808 322.8199 322.9589 323.0979 323.2369 323.3759 323.5148 323.6538 323.7927 323.9317 324.0706 324.2095 324.3484 324.4872 324.6261 324.7650 324.9038 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20221120T084920.5Z 8359.367599 255 1 51.48 2 78.93 146.38 56.46 190.35 0.00 1 0.00 1 0 25 4.667e-01 2.406e-02 3.052e-01 1.438e-02 6.608695e-01 7.920185e-03 8.497307e-03 -6.000000e+00 2.751762e-01 220.55 -2.00 3.88 -2.00 321.04 0.00e+00 4.864656e-03 2.850406e-03 6.115808e-04 -6.000000e+00 1.182713e-02 270.28 -2.00 20.00 -2.00 320.73 0.00e+00 5.026 0.003 302.00 328.00 3 4.2139e+00 2.3223e-02 6.2098e-02 -6.0000e+00 6.7784e-01 3.9949e-01 2.9832e-02 3.8007e-02 -6.0000e+00 7.4148e-01 -3.9235e-01 3.1303e-02 2.0980e-02 -6.0000e+00 4.3611e-01 1.6885e-01 1.6104e-02 6.9580e-03 -6.0000e+00 1.8585e-01 2.3948e-05 -3.2526e-03 4.4499e-04 9.9786e-05 -6.0000e+00 1.4315e-02 -2.1693e-02 -1.1940e-04 12 8 8 10 0 0 99.79 22.14 0.53 -0.02169 -0.04614 13 3 1 5 0 3959.096 25.28 20.00 22.14 8.98 29.8 1012.75 900000 -171724 900000 -131090 900000 -168278 900000 -78027 -33320 -192526 -80433 15682 -85486 116895 74171 285917 -56106 900000 61461 -5826 99856 49142 900000 -26005 43042 -53711 -19210 -19885 6779 6356 12934 -8389 36275 82917 -17790 76426 46418 -1190 10121 3399 887 22210 1376 24451 17903 5491 32815 22819 9017 -11022 -666 -1632 12461 24634 4678 2834 -1755 17145 5656 19378 6048 979 10897 490 16085 9222 17247 -104 601 4210 -384 3208 -173 -63 4508 8034 -13959 6239 -11535 13232 -5077 1289 1775 -4401 -1344 -4000 -2828 -2568 -1262 872 6780 -30 1513 -1439 -4725 1816 -2981 1382 -2989 -190 -1311 -810 1122 -2486 846 -4889 222 -2127 976 166 -1266 954 594 297 -313 1393 534 931 -2554 1572 -877 1897 -178 -1014 995 1002 1563 1842 2877 326 1501 -132 357 -286 -385 117 603 1165 -1788 515 -1269 -11 -1143 900000 -6404 900000 -3565 900000 -5635 900000 -1259 -467 -9973 -1584 220 -2310 1637 1039 4004 -2373 900000 1047 -189 1399 980 900000 -1073 1003 -3106 -820 -840 223 219 477 -438 1444 2336 -1240 2224 1844 -82 740 309 92 2047 161 2380 1875 655 3101 2422 1133 -1765 -105 -285 2083 3954 959 613 -405 3307 1188 3493 1250 227 2562 142 4321 2674 4561 -33 201 1526 -161 1373 -77 -27 1699 2656 -5249 1898 -4471 4651 -2485 678 1030 -2906 -912 -2951 -2170 -2034 -994 658 4584 -21 959 -938 -3426 1404 -2778 1408 -3503 -225 -1523 -862 1069 -2350 800 -5171 235 -2444 1176 223 -1899 1508 969 479 -486 2037 771 1368 -4054 2504 -1446 2983 -274 -1525 1416 1375 2066 2430 4044 524 2637 -253 716 -606 -864 274 1455 2839 -4483 1240 -2965 -24 -2392 SS 20221120T113543.6Z 8359.483143 335 1 5.90 2 73.03 186.24 70.10 233.61 0.00 1 0.00 1 0 25 7.462e-02 7.182e-03 8.438e-02 5.969e-03 4.726735e-01 3.059012e-03 6.210409e-03 -6.000000e+00 4.344711e-02 220.55 -2.00 3.88 -2.00 319.16 0.00e+00 -2.909616e-04 7.105737e-04 2.357575e-04 -6.000000e+00 1.790106e-03 270.27 -2.00 20.00 -2.00 318.88 0.00e+00 3.376 0.001 302.00 328.00 3 3.6699e+00 8.2567e-03 4.2324e-02 -6.0000e+00 1.0697e-01 6.4014e-02 9.5111e-03 2.6170e-02 -6.0000e+00 1.1665e-01 -1.3685e-02 7.8873e-03 1.3648e-02 -6.0000e+00 6.8938e-02 -2.8651e-03 4.2881e-03 4.2231e-03 -6.0000e+00 2.9165e-02 2.6719e-04 2.9717e-04 1.7992e-04 5.1017e-05 -6.0000e+00 2.2348e-03 -2.8216e-02 2.3045e-04 12 9 1 12 1 1 98.15 22.15 0.24 -0.02822 -0.02598 4 9 1 5 0 1143.681 25.28 20.00 22.15 8.00 29.5 1009.34 43312 -36747 -5178 14547 -29987 -22586 -29307 13398 -20751 2983 -2112 -4939 -1508 -6646 -2311 10120 -11964 -8706 -9837 13141 -4016 -598 -137 -11533 -7073 -4521 -8083 -1462 -3915 4026 8031 5981 -2834 564 -2257 692 886 992 2161 -3411 -2692 -1080 -1625 -2414 31 -741 1975 823 2088 816 2851 -617 2255 -1621 3 2368 1925 628 -136 2278 1383 797 357 -146 -185 321 982 188 1094 1140 -317 178 275 -150 1425 844 1196 873 649 -936 -627 -540 -1835 -784 -1517 -1480 -553 -668 492 -98 -10 257 1005 804 888 1140 361 704 -134 -186 -380 -1111 -44 -275 -640 -975 -932 -288 -432 -460 546 -739 -91 -36 587 619 170 -82 628 255 -794 234 -142 -169 469 550 554 1104 549 503 449 245 980 370 -449 -399 -395 360 -187 -880 -295 -395 307 528 -1036 -117 274 -793 -543 -785 275 -646 82 -63 -163 -55 -304 -120 541 -861 -655 -796 904 -333 -49 -11 -1146 -729 -482 -907 -151 -402 389 812 695 -398 82 -335 99 133 171 438 -851 -748 -317 -500 -765 10 -235 617 261 666 272 991 -239 916 -724 1 1112 930 309 -66 1077 667 408 198 -88 -116 198 584 112 677 771 -234 138 214 -114 1020 564 743 527 407 -653 -486 -459 -1687 -751 -1527 -1560 -602 -748 550 -108 -11 258 957 755 866 1197 416 878 -178 -251 -503 -1397 -52 -321 -772 -1233 -1219 -389 -610 -686 854 -1206 -149 -57 900 913 248 -121 955 402 -1279 373 -222 -259 696 794 779 1538 799 778 733 415 1696 661 -833 -767 -777 714 -373 -1749 -570 -742 560 SS 20221120T114545.1Z 8359.490106 338 1 1.06 2 73.23 188.69 71.34 235.84 0.00 1 0.00 1 0 25 3.402e-01 1.347e-02 1.848e-01 1.075e-02 4.734971e-01 5.500656e-03 6.299574e-03 -6.000000e+00 1.979166e-01 220.55 -2.00 3.88 -2.00 318.91 0.00e+00 9.547919e-04 1.192354e-03 2.143507e-04 -6.000000e+00 8.156920e-03 270.27 -2.00 20.00 -2.00 318.63 0.00e+00 3.413 0.001 302.00 328.00 3 2.6496e+00 1.4741e-02 4.2675e-02 -6.0000e+00 4.8731e-01 4.1933e-02 1.6852e-02 2.6281e-02 -6.0000e+00 5.3153e-01 -1.2047e-02 1.3380e-02 1.3620e-02 -6.0000e+00 3.1411e-01 -2.1136e-03 7.2867e-03 4.1668e-03 -6.0000e+00 1.3282e-01 7.2177e-04 -6.1647e-04 3.2080e-04 5.1081e-05 -6.0000e+00 1.0188e-02 -2.6908e-02 9.3432e-05 12 9 9 12 1 1 999.00 22.15 0.21 -0.02691 -0.03154 1 22 1 5 0 438.825 25.28 20.00 22.15 8.87 29.8 1015.02 11772 -51829 41422 333457 47722 160463 -1512 74162 -59298 17776 8696 -37070 -1666 705 5538 -19931 13935 1608 12995 -21188 -6725 -13967 -10322 12812 -12507 7926 -8137 -6052 -8490 -5186 -1407 -2389 -3728 -822 9370 -2223 14086 -973 1512 -738 -3327 -4112 -733 -1651 -4719 3736 -1957 4032 -3311 6026 3074 5333 -1112 2453 4772 -328 6400 841 851 2554 1240 565 -281 -830 121 1787 -890 2182 2394 1392 104 -328 84 -426 1726 -809 739 -1933 3470 -2674 -819 -3302 -2251 -3456 -479 -1663 -1147 -676 -482 375 86 571 1802 2175 1276 -180 964 679 -827 -264 8 -994 50 -232 -1310 -316 -413 -366 -654 511 854 762 -1107 -577 -282 1654 1590 -97 608 -231 50 -704 -1340 -997 1584 1310 69 1891 -230 951 897 968 260 -528 -1146 -499 451 495 68 -1048 56 -1329 665 222 -1951 732 3495 749 1682 -37 1037 -2993 491 273 -1873 -71 35 313 -1624 928 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