File name: Pandora21s1_Bremen_20221123_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T130412.4Z 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_20221123_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: 20221123 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 20221123T101025.4Z 8362.423905 155 1 2.32 2 74.63 165.25 74.04 172.60 0.00 1 0.00 1 0 25 2.702e-01 1.508e-02 2.370e-01 1.201e-02 5.395813e-01 6.182392e-03 7.081386e-03 -6.000000e+00 1.571582e-01 220.48 -2.00 3.88 -2.00 319.52 0.00e+00 1.462732e-03 1.604948e-03 3.060745e-04 -6.000000e+00 6.478715e-03 269.95 -2.00 20.00 -2.00 319.25 0.00e+00 3.705 0.001 302.00 328.00 3 3.3021e+00 1.6864e-02 4.7264e-02 -6.0000e+00 3.8690e-01 7.3638e-02 1.9787e-02 3.0064e-02 -6.0000e+00 4.2203e-01 -6.2794e-02 1.7806e-02 1.5826e-02 -6.0000e+00 2.4941e-01 2.5684e-02 9.6267e-03 4.9410e-03 -6.0000e+00 1.0548e-01 2.6075e-04 -1.0849e-03 3.5452e-04 6.1588e-05 -6.0000e+00 8.0923e-03 -2.7511e-02 6.7737e-05 12 9 9 12 1 1 999.00 22.12 0.30 -0.02751 -0.03566 1 9 1 5 0 1067.650 25.28 20.00 22.12 15.56 30.6 1012.18 -112313 124229 72662 -97078 42823 -90028 88929 -94788 -23328 -72586 64373 -13408 -60631 18806 11856 88339 -18354 8756 9963 -4230 2456 37887 40546 380 11148 -10058 29139 -20912 18108 -9733 -7097 18973 17524 4954 -2335 9809 -13368 22223 -1710 4919 -7588 -5280 2088 -2212 -4581 -2399 -1984 -5505 2835 3627 4854 4588 3862 1867 3 3698 648 7001 -1163 4361 2728 4037 -1741 3320 2192 -2653 2580 -3827 2161 -1305 924 -1512 -383 105 370 -378 -1906 3541 1705 -872 -2781 -791 -2381 -1776 -876 -4587 32 382 2767 -1295 530 2457 1615 103 1148 1836 509 1387 -831 -368 -1247 514 964 -1397 -492 -1664 -1546 -1987 1102 1183 913 -1465 -515 -599 847 1312 82 129 753 -645 -2189 243 1095 248 548 85 676 1240 9 -87 537 587 759 954 200 -291 -27 304 -930 -839 -535 288 -311 -3604 1455 851 -3363 502 -2686 1042 -3424 -495 -2596 754 -324 -2619 485 392 1715 -1038 422 508 -258 145 1649 1772 25 727 -839 1742 -1939 1158 -823 -647 1568 1655 564 -284 1056 -1874 2582 -292 930 -1799 -1320 513 -580 -1241 -646 -540 -1566 771 1021 1444 1488 1362 715 1 1522 281 2894 -507 1794 1152 1784 -878 1746 1223 -1534 1399 -2183 1236 -839 633 -1105 -280 75 249 -238 -1133 1968 1005 -579 -2095 -646 -2114 -1649 -844 -4741 34 407 2919 -1383 539 2344 1486 95 1096 1891 578 1705 -1102 -496 -1656 639 1129 -1628 -586 -2082 -2001 -2676 1524 1732 1417 -2399 -848 -971 1315 1963 122 193 1163 -1036 -3598 389 1713 382 822 124 963 1756 13 -138 898 1021 1356 1751 382 -575 -54 620 -1914 -1711 -1061 552 -581 SS 20221123T101446.4Z 8362.426926 158 1 2.88 2 74.47 166.30 73.98 173.63 0.00 1 0.00 1 0 25 1.426e-01 8.296e-03 1.243e-01 5.498e-03 5.352639e-01 2.828734e-03 7.000442e-03 -6.000000e+00 8.300679e-02 220.48 -2.00 3.88 -2.00 319.46 0.00e+00 2.628430e-04 7.241952e-04 3.032964e-04 -6.000000e+00 3.421349e-03 269.95 -2.00 20.00 -2.00 319.19 0.00e+00 3.669 0.001 302.00 328.00 3 2.5564e+00 7.7104e-03 4.6812e-02 -6.0000e+00 2.0435e-01 4.7443e-02 9.0188e-03 2.9756e-02 -6.0000e+00 2.2287e-01 -2.0087e-02 8.0983e-03 1.5658e-02 -6.0000e+00 1.3171e-01 8.8137e-05 4.3889e-03 4.8942e-03 -6.0000e+00 5.5715e-02 5.7757e-04 -7.7769e-05 1.6230e-04 5.9622e-05 -6.0000e+00 4.2722e-03 -2.6940e-02 1.9998e-04 12 9 1 12 1 1 -947.82 22.12 0.23 -0.02694 -0.02752 5 22 1 5 0 449.600 25.28 20.00 22.12 15.71 30.7 1012.72 -39257 -56114 -40240 -17284 -38289 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1646 -845 1029 -988 539 -640 -848 375 -200 605 -489 12 -804 509 -1826 -1737 -2019 -1738 -852 -350 148 -380 297 842 1062 1000 2182 1131 945 1597 953 -198 -1182 588 -493 -259 146 -357 -153 -1611 -460 -1255 -274 -471 278 167 356 -109 1151 1104 119 142 -5 -1137 -942 -1490 -1472 1216 -125 1470 1971 1410 1103 207 735 -132 330 -679 -788 -173 -256 -300 -107 -338 -499 500 SS 20221123T123154.2Z 8362.522155 233 1 18.01 2 75.54 199.51 77.76 205.50 0.00 1 0.00 1 0 25 2.380e-01 1.021e-02 2.186e-01 8.315e-03 5.625918e-01 4.387679e-03 7.246644e-03 -6.000000e+00 1.395061e-01 220.48 -2.00 3.88 -2.00 320.20 0.00e+00 1.869655e-03 1.360297e-03 4.170274e-04 -6.000000e+00 5.857353e-03 269.94 -2.00 20.00 -2.00 319.92 0.00e+00 3.922 0.001 302.00 328.00 3 4.3425e+00 1.2299e-02 4.9847e-02 -6.0000e+00 3.4381e-01 1.2396e-01 1.5138e-02 3.1719e-02 -6.0000e+00 3.7520e-01 -4.8645e-02 1.5499e-02 1.7198e-02 -6.0000e+00 2.2103e-01 9.5500e-03 8.2019e-03 5.5811e-03 -6.0000e+00 9.4135e-02 7.0763e-05 -2.3712e-04 2.5439e-04 7.0232e-05 -6.0000e+00 7.2933e-03 -2.8812e-02 2.2131e-04 12 9 9 12 9 1 76.44 22.13 0.26 -0.02881 -0.03059 4 3 1 5 0 3566.901 25.28 20.00 22.13 17.72 30.7 1018.96 -129476 900000 142526 900000 -48296 -2621 57041 900000 -79483 80921 -60427 -79894 -19293 -28357 -1537 -18246 6353 -18576 30806 -14393 -26517 4678 -21284 20687 16082 39657 -28725 -17131 -12163 -18908 1115 -8926 14470 -155 5494 3881 609 9101 25524 4282 50 947 3729 -6876 -2536 10670 4464 5415 -2351 10176 2376 4819 -2712 6622 -4125 3241 2560 -668 4054 -790 783 -1930 1710 -1292 216 507 -1942 -1608 608 -841 -406 421 -1620 2355 -2111 3775 445 -1413 2269 -1571 389 -3249 -1524 -266 -2285 -1254 870 -13 -10 287 555 1692 156 1396 -1315 1297 2009 417 -510 -657 535 -761 1035 794 -1069 -355 -1470 -108 -507 357 -176 341 422 350 13 231 1441 -528 -705 -250 -600 -540 -14 -1010 35 110 411 1745 707 37 -91 558 -184 529 166 -381 362 209 -485 -957 -517 137 856 -2704 900000 1155 900000 -585 -21 462 900000 -1603 656 -1183 -2040 -337 -660 -34 -555 174 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