File name: Pandora21s1_Bremen_20191220_L2Fit_fout2c14d20191026p1-8.txt File generation date: 20250507T091858.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c14p1-8 Local principal investigator: Nader Abuhassan Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v2d20190904.txt Instrument calibration file used: Pandora21s1_CF_v14d20191026.txt Level 1 file used: Pandora21s1_Bremen_20191220_L1_smca1c14d20191026p1-8.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: 20191220 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]: 305.1120 305.2523 305.3926 305.5329 305.6731 305.8134 305.9537 306.0939 306.2341 306.3744 306.5146 306.6548 306.7950 306.9352 307.0753 307.2155 307.3557 307.4958 307.6359 307.7761 307.9162 308.0563 308.1964 308.3364 308.4765 308.6166 308.7566 308.8966 309.0367 309.1767 309.3167 309.4567 309.5967 309.7366 309.8766 310.0166 310.1565 310.2964 310.4363 310.5763 310.7162 310.8560 310.9959 311.1358 311.2756 311.4155 311.5553 311.6952 311.8350 311.9748 312.1146 312.2543 312.3941 312.5339 312.6736 312.8134 312.9531 313.0928 313.2325 313.3722 313.5119 313.6516 313.7913 313.9309 314.0706 314.2102 314.3498 314.4894 314.6290 314.7686 314.9082 315.0478 315.1873 315.3269 315.4664 315.6059 315.7455 315.8850 316.0245 316.1639 316.3034 316.4429 316.5823 316.7218 316.8612 317.0006 317.1400 317.2794 317.4188 317.5582 317.6976 317.8369 317.9763 318.1156 318.2549 318.3942 318.5335 318.6728 318.8121 318.9514 319.0906 319.2299 319.3691 319.5083 319.6475 319.7867 319.9259 320.0651 320.2043 320.3435 320.4826 320.6217 320.7609 320.9000 321.0391 321.1782 321.3173 321.4563 321.5954 321.7345 321.8735 322.0125 322.1515 322.2906 322.4296 322.5685 322.7075 322.8465 322.9854 323.1244 323.2633 323.4022 323.5411 323.6800 323.8189 323.9578 324.0967 324.2355 324.3744 324.5132 324.6520 324.7908 324.9296 --------------------------------------------------------------------------------------- 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: Azimuth motor temperature [°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 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 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2588 2852 -4376 3429 816 3862 4550 1985 4978 3348 3091 -47 4465 4584 1385 2448 1992 5301 715 3751 4501 3763 6003 39 5551 2695 4772 2154 -3255 -1551 3069 2507 1564 -714 2512 3965 727 -9 1227 242 -3688 2478 2877 1639 -181 -801 -1514 -1195 -3874 -3206 -4565 703 -2198 -2287 635 -42 -1267 -615 -5304 -3244 -3662 -1458 790 -2075 -2417 -3129 555 -2680 -1508 -2105 875 2759 552 -2156 242 5370 5074 5525 -1672 2726 3886 3984 1396 3045 1295 -3019 1969 -1551 -1692 6195 -1744 3154 1778 -1469 -4065 -878 -5682 SS 20191220T090508.3Z 7293.378568 422 1 50.57 2 82.08 148.57 63.64 225.36 0.00 1 0.00 1 0 25 6.810e-01 1.641e-02 2.759e-01 6.620e-03 9.121645e-01 3.854502e-03 1.077303e-02 -6.000000e+00 3.962768e-01 220.17 -2.00 3.88 -2.00 322.08 0.00e+00 7.283350e-03 1.758991e-03 1.529544e-03 -6.000000e+00 1.857296e-02 267.24 -2.00 20.00 -2.00 321.73 0.00e+00 6.790 0.007 302.00 328.00 3 1.2946e+00 1.2573e-02 8.5355e-02 -6.0000e+00 9.7687e-01 5.3594e-01 1.9868e-02 5.4440e-02 -6.0000e+00 1.0712e+00 -6.6866e-01 2.3958e-02 3.2430e-02 -6.0000e+00 6.2790e-01 2.7570e-01 1.1354e-02 1.1636e-02 -6.0000e+00 2.6802e-01 7.0502e-05 -1.9527e-03 1.9882e-04 1.7931e-04 -6.0000e+00 2.1013e-02 3.8116e-03 0.0000e+00 12 8 8 10 0 0 65.52 22.38 0.31 0.00381 -0.01086 110 22 1 5 0 455.504 25.28 20.00 22.38 14.96 26.60 13.4 1010.63 900000 -222183 900000 -265293 900000 -206648 -207657 900000 -270368 900000 -200808 900000 -228031 900000 -162268 -12123 -88160 -64466 4204 -109679 900000 -79879 900000 -104665 203 -69470 7961 51092 25590 92542 -28212 47595 18393 306634 -30701 21355 -38914 6191 43845 17159 41490 -11278 94832 -6972 37019 4147 83453 23126 39457 36612 -2906 33413 2086 35516 3224 41667 13599 14965 14174 6760 26815 7431 31903 8597 22567 8337 18606 5688 6784 9284 5862 9737 4344 8130 1640 8649 -8061 2447 859 -1428 2994 -2529 1358 -2384 878 -768 1285 237 1246 951 -431 626 -2094 529 -4182 506 -3043 134 -2469 70 -991 -1341 485 -1779 -1252 -3205 -1239 -1603 -534 -1117 -728 -414 -699 -222 -654 1459 -143 231 -581 449 331 854 708 97 2393 790 2355 567 1021 272 90 406 436 733 -70 8 -51 -148 -521 134 -318 -305 -827 900000 -2864 900000 -4734 900000 -1998 -2119 900000 -5495 900000 -2588 900000 -5991 900000 -3861 -85 -1515 -969 34 -2610 900000 -1501 900000 -2542 2 -1380 79 329 225 596 -576 562 336 1976 -867 390 -1312 170 989 544 1248 -570 1884 -363 1266 204 2106 1055 1663 1760 -218 2120 186 2469 328 2992 1308 1392 1279 644 2172 818 3187 1156 3054 1243 2758 958 1268 1922 1367 2251 1030 1719 332 1475 -1565 455 189 -391 935 -965 552 -1079 382 -358 612 116 600 471 -204 280 -959 254 -2279 313 -2313 114 -2375 67 -899 -1093 351 -1282 -938 -2592 -1045 -1476 -547 -1326 -978 -604 -1059 -332 -952 2023 -202 338 -899 702 507 1235 977 131 3041 991 2870 746 1533 478 180 879 955 1715 -177 21 -138 -404 -1409 345 -764 -719 -1872 SS 20191220T091617.2Z 7293.386311 425 1 50.46 2 81.24 151.01 64.87 228.05 0.00 1 0.00 1 0 25 6.393e-01 9.083e-03 3.163e-01 5.018e-03 8.559085e-01 2.815173e-03 1.016903e-02 -6.000000e+00 3.683693e-01 220.17 -2.00 3.88 -2.00 321.88 0.00e+00 5.219853e-03 1.256456e-03 1.338248e-03 -6.000000e+00 1.553337e-02 267.24 -2.00 20.00 -2.00 321.54 0.00e+00 6.214 0.005 302.00 328.00 3 1.5357e+00 9.0671e-03 7.8698e-02 -6.0000e+00 9.0593e-01 2.5777e-01 1.4753e-02 5.1384e-02 -6.0000e+00 9.9137e-01 -2.7086e-01 1.8467e-02 3.1020e-02 -6.0000e+00 5.8630e-01 1.0363e-01 8.7585e-03 1.1120e-02 -6.0000e+00 2.4716e-01 1.0453e-04 -1.3773e-03 1.4962e-04 1.5908e-04 -6.0000e+00 1.9279e-02 3.7733e-03 0.0000e+00 11 8 0 10 0 0 55.16 22.38 0.22 0.00377 -0.00658 122 24 1 5 0 410.195 25.28 20.00 22.38 15.33 27.10 13.3 1011.95 53485 -267927 900000 -211517 -172614 -70005 -244500 -188177 -250097 -155370 -252688 -86220 -161923 -179577 52770 -65221 158212 -95989 -11171 -109357 -41787 -43424 -43850 -57539 -52558 29050 -46477 -14474 -53229 14566 -27924 7463 -37856 76849 10212 -12594 -12049 -35184 24865 -23820 33827 -9032 23506 1058 7586 4666 1262 24297 5631 13475 2807 17004 8548 14810 7996 3348 8685 722 1352 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