File name: Pandora162s1_Brussels-Uccle_20240911_L2Fit_fout2c13d20231120p1-8.txt File generation date: 20240912T135320.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c13p1-8 Local principal investigator: Michel Van Roozendael Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 162 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora162_OF_v8d20191031.txt Instrument calibration file used: Pandora162s1_CF_v13d20231120.txt Level 1 file used: Pandora162s1_Brussels-Uccle_20240911_L1_smca1c13d20231120p1-8.txt Full location name: Uccle (BIRA-IASB, KMI-IRM) Short location name: Brussels-Uccle Country of location: Belgium Location latitude [deg]: 50.7980 Location longitude [deg]: 4.3580 Location altitude [m]: 107 Local noon date: 20240911 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: Based on session 12 for fieldcal First and last pixel inside fitting window: 225 367 Nominal wavelengths inside fitting window [nm]: 305.0129 305.1537 305.2944 305.4352 305.5759 305.7166 305.8573 305.9980 306.1387 306.2793 306.4200 306.5606 306.7012 306.8419 306.9825 307.1231 307.2637 307.4042 307.5448 307.6853 307.8259 307.9664 308.1069 308.2474 308.3879 308.5284 308.6689 308.8093 308.9498 309.0902 309.2306 309.3710 309.5114 309.6518 309.7922 309.9326 310.0729 310.2133 310.3536 310.4939 310.6342 310.7745 310.9148 311.0551 311.1953 311.3356 311.4758 311.6161 311.7563 311.8965 312.0367 312.1769 312.3170 312.4572 312.5973 312.7375 312.8776 313.0177 313.1578 313.2979 313.4380 313.5780 313.7181 313.8581 313.9982 314.1382 314.2782 314.4182 314.5582 314.6982 314.8381 314.9781 315.1180 315.2579 315.3978 315.5378 315.6776 315.8175 315.9574 316.0973 316.2371 316.3769 316.5168 316.6566 316.7964 316.9362 317.0759 317.2157 317.3555 317.4952 317.6349 317.7746 317.9144 318.0541 318.1937 318.3334 318.4731 318.6127 318.7524 318.8920 319.0316 319.1712 319.3108 319.4504 319.5899 319.7295 319.8690 320.0086 320.1481 320.2876 320.4271 320.5666 320.7061 320.8455 320.9850 321.1244 321.2638 321.4033 321.5427 321.6821 321.8214 321.9608 322.1002 322.2395 322.3788 322.5182 322.6575 322.7968 322.9361 323.0753 323.2146 323.3539 323.4931 323.6323 323.7715 323.9108 324.0499 324.1891 324.3283 324.4675 324.6066 324.7457 324.8849 --------------------------------------------------------------------------------------- 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 101-243: 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 --------------------------------------------------------------------------------------- SS 20240911T055805.3Z 9020.248673 69 1 50.63 2 83.64 90.92 156.92 16.03 0.00 1 0.00 1 0 25 5.206e-01 3.075e-02 4.872e-01 2.828e-02 9.631762e-01 1.771613e-02 1.142090e-02 -6.000000e+00 3.095633e-01 229.16 -2.00 3.79 -2.00 322.37 0.00e+00 -5.167859e-03 1.025523e-02 7.505416e-03 -6.000000e+00 1.741137e-02 280.85 -2.00 20.00 -2.00 321.95 0.00e+00 8.142 0.012 302.00 328.00 3 1.2597e+00 7.1431e-02 1.0894e-01 -6.0000e+00 7.8496e-01 1.2122e+00 9.2137e-02 8.2302e-02 -6.0000e+00 8.5896e-01 -1.5971e+00 7.7423e-02 3.4641e-02 -6.0000e+00 4.9495e-01 6.4437e-01 3.7021e-02 1.0394e-02 -6.0000e+00 2.1267e-01 1.8565e-05 -3.3033e-04 8.2047e-04 1.5203e-04 -6.0000e+00 1.5598e-02 1.3310e-03 0.0000e+00 12 8 8 10 0 0 99.94 18.65 0.74 0.00133 -0.00115 28 6 4 8 0 1807.760 15.00 18.65 15.86 21.06 21.27 1.5 922.43 900000 -82112 45761 900000 -24406 -81253 900000 -77656 900000 900000 900000 900000 900000 -84144 -128253 900000 -41522 -64161 72034 900000 190660 900000 88102 900000 252002 -22012 16780 -16974 900000 -133646 156053 900000 60564 87310 900000 -25610 900000 4625 900000 900000 51788 900000 32751 50869 13493 102113 21792 22209 29458 94548 35319 81927 143464 127135 29859 19522 51593 -23691 12198 135 50711 -234 60180 81567 373 58415 4717 4074 12341 18483 17580 13398 15593 28878 15570 -4014 7228 -9271 7053 12565 2990 14372 8509 17986 2352 9062 4135 10429 9778 -1051 1317 2747 -12981 -4862 3184 -7067 873 -7998 2509 -5903 -5038 -3032 2098 -6583 -6333 -2391 -4715 -5868 -4879 1830 -1242 1235 -2369 856 -1798 -273 2235 -953 -2712 4647 2433 270 4934 1114 -160 1567 3476 1151 3041 -1767 -1721 1880 322 1591 559 -611 -965 813 -42 -447 -636 -243 -1132 900000 -2385 1257 900000 -670 -2232 900000 -2133 900000 900000 900000 900000 900000 -2933 -8183 900000 -1430 -2906 1979 900000 5237 900000 2420 900000 6922 -695 461 -466 900000 -10070 4287 900000 1664 2398 900000 -1010 900000 156 900000 900000 1788 900000 1470 1879 684 2805 987 1017 1311 2597 1751 2905 3941 3492 2258 1701 3400 -3206 1103 13 2827 -22 3606 4573 50 4562 620 563 1720 2795 2991 2502 2824 4324 2383 -655 965 -1469 1062 2153 676 3415 2424 5057 816 3119 1566 3819 3605 -418 483 939 -5041 -1817 1250 -3645 495 -5813 1873 -4998 -4094 -2196 1280 -4134 -4174 -1621 -3452 -4693 -4279 1740 -1409 1534 -3229 1140 -2400 -349 2775 -1272 -3890 6460 3426 372 6134 1395 -198 1856 3943 1362 4043 -2897 -3217 3761 706 3686 1414 -1668 -2716 2271 -117 -1220 -1618 -567 -2492 SS 20240911T060541.2Z 9020.253949 73 1 50.03 2 82.44 92.39 156.58 19.97 0.00 1 0.00 1 0 17 7.037e-01 1.843e-02 4.592e-01 1.349e-02 8.808257e-01 8.117448e-03 1.047564e-02 -6.000000e+00 4.160696e-01 229.16 -2.00 3.79 -2.00 322.20 0.00e+00 3.643102e-03 4.803708e-03 2.347076e-03 -6.000000e+00 2.016707e-02 280.85 -2.00 20.00 -2.00 321.77 0.00e+00 7.050 0.007 302.00 328.00 3 1.3727e+00 3.2517e-02 8.8336e-02 -6.0000e+00 1.0436e+00 6.1118e-01 4.8418e-02 5.6493e-02 -6.0000e+00 1.1355e+00 -7.8903e-01 4.9790e-02 3.1416e-02 -6.0000e+00 6.6501e-01 3.1166e-01 2.2416e-02 1.0476e-02 -6.0000e+00 2.8169e-01 5.3288e-05 -1.0717e-03 3.9187e-04 1.5086e-04 -6.0000e+00 1.9789e-02 1.1135e-03 0.0000e+00 12 8 8 10 0 0 99.61 18.65 0.50 0.00111 -0.00694 60 12 4 8 0 833.690 15.00 18.65 16.18 21.06 21.27 1.5 924.82 -195142 -239915 -212069 -179994 -71619 -219377 900000 -190959 900000 -200485 900000 -236420 900000 -128760 -143095 -26856 -47650 193278 -81844 900000 27230 900000 -45569 -53998 -122902 900000 113316 -84648 21316 41959 900000 -7935 24437 35938 900000 215133 17517 900000 -31157 132873 -609 168549 1884 81788 37686 108180 10766 7264 51725 40047 25314 -5087 81146 6714 51547 28897 52051 35543 9627 19471 -1840 24255 4540 15805 10716 26119 6858 14673 3586 12888 9485 5279 15745 1789 5915 -861 1598 -7264 -2435 -7634 972 -2235 -2784 735 1432 -1453 76 7483 -770 454 -524 4668 897 -1804 1571 500 -3017 -1889 1095 -1777 765 -2988 -1198 -7400 -413 -3708 -4138 -1175 -2522 -510 -159 282 -1584 -124 -472 553 1233 -326 1100 206 1643 1206 708 604 999 888 1052 765 1114 1208 -137 912 241 4 -419 -45 -1184 166 871 -363 94 1 -1168 -2562 -4462 -3248 -2363 -940 -2880 900000 -2507 900000 -2851 900000 -5431 900000 -1690 -2818 -353 -626 2537 -1522 900000 357 900000 -598 -827 -4033 900000 1488 -1945 280 551 900000 -142 379 558 900000 2824 314 900000 -1159 1744 -25 2213 88 1757 1259 1807 488 355 1728 1625 1329 -378 3099 544 3137 2311 3416 2757 853 1627 -173 2055 492 1781 1418 3029 960 1974 588 2228 1920 1184 3186 393 1132 -156 259 -1287 -458 -1829 258 -721 -1026 282 580 -645 35 3315 -373 212 -233 1844 355 -754 713 272 -2020 -1471 944 -1657 670 -2464 -857 -5311 -290 -2880 -3399 -1007 -2422 -551 -197 387 -2326 -179 -665 740 1625 -453 1593 316 2473 1742 976 806 1285 1109 1269 940 1542 1958 -256 1863 531 8 -1071 -123 -3359 472 2465 -1008 242 2 -2649 SS 20240911T061309.1Z 9020.259133 76 1 49.60 2 81.26 93.85 156.17 23.73 0.00 1 0.00 1 0 17 5.283e-01 2.304e-02 4.239e-01 1.547e-02 7.840964e-01 8.888270e-03 9.609093e-03 -6.000000e+00 3.078685e-01 229.16 -2.00 3.79 -2.00 321.86 0.00e+00 9.269381e-03 4.718502e-03 1.677187e-03 -6.000000e+00 1.340486e-02 280.85 -2.00 20.00 -2.00 321.39 0.00e+00 6.216 0.005 302.00 328.00 3 2.4677e+00 3.2765e-02 7.7117e-02 -6.0000e+00 7.7073e-01 6.0947e-01 4.4641e-02 4.8157e-02 -6.0000e+00 8.3474e-01 -7.6353e-01 4.2318e-02 2.6458e-02 -6.0000e+00 4.9226e-01 3.0448e-01 1.9727e-02 1.2936e-02 -6.0000e+00 2.1089e-01 4.0819e-05 -1.1754e-03 4.4142e-04 1.7721e-04 -6.0000e+00 1.4427e-02 5.1163e-04 0.0000e+00 12 8 8 10 0 0 99.24 18.65 0.47 0.00051 -0.00832 29 6 4 8 0 1710.000 15.00 18.65 16.38 21.06 21.27 1.5 925.25 -181272 900000 -182647 -110345 -213651 -123342 -155150 900000 900000 -228544 2347 -125666 7196 -101526 133468 40843 -26572 3074 27021 -73388 97891 900000 -48439 69819 -61612 127317 12940 22323 6879 900000 -33995 -12654 50136 113943 95603 -181 29639 -21326 -7834 65727 41791 24392 12177 7660 20813 75395 35908 68766 2868 41486 46759 21421 33905 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