File name: Pandora162s1_Brussels-Uccle_20241117_L2Fit_fout2c13d20231120p1-8.txt File generation date: 20241119T085852.4Z 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 v1.8.60 Instrument operation file used: Pandora162_OF_v8d20191031.txt Instrument calibration file used: Pandora162s1_CF_v13d20231120.txt Level 1 file used: Pandora162s1_Brussels-Uccle_20241117_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: 20241117 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 20241117T102606.2Z 9087.434794 369 1 44.92 2 71.25 164.66 96.03 327.51 0.00 1 0.00 1 0 17 1.636e-01 1.062e-02 1.214e-01 6.491e-03 4.052351e-01 3.263079e-03 5.192616e-03 -6.000000e+00 9.128486e-02 221.06 -2.00 3.79 -2.00 319.69 0.00e+00 1.156624e-03 8.993316e-04 4.880677e-04 -6.000000e+00 3.921650e-03 271.97 -2.00 20.00 -2.00 319.20 0.00e+00 3.074 0.001 302.00 328.00 3 4.7185e+00 9.1168e-03 3.7311e-02 -6.0000e+00 2.2433e-01 6.8927e-02 1.0723e-02 2.2161e-02 -6.0000e+00 2.4440e-01 -1.9002e-02 8.8955e-03 1.1618e-02 -6.0000e+00 1.4539e-01 -2.1460e-03 4.7265e-03 3.7994e-03 -6.0000e+00 6.2859e-02 1.3812e-04 2.7479e-05 1.9208e-04 4.1922e-05 -6.0000e+00 4.3185e-03 -9.8950e-03 0.0000e+00 12 8 8 10 0 0 99.97 18.42 0.49 -0.00989 -0.00969 38 8 4 8 0 1181.710 15.00 18.42 15.40 20.87 21.38 1.5 918.15 111797 -49210 13838 -13989 -56378 -12810 -56645 31460 -18960 60494 -52419 38999 -36158 10146 -5901 21538 -10588 -9237 34819 -13095 6244 -16191 17546 -9059 2958 2533 -148 3463 -4674 3402 -10562 8479 -564 15877 -5451 3901 -830 9437 8068 1532 2214 -3786 6390 -6730 3374 -7049 1573 -1526 4604 -289 659 1673 -1179 2860 -4926 2927 345 1035 -676 2183 2083 2284 3801 511 2115 -1266 3813 -1647 3845 1689 310 -908 247 -52 -1430 1654 -1843 1724 -3872 2255 -1161 -1038 -484 -1297 -1225 -2570 807 -955 616 -87 781 13 1764 41 465 1429 250 664 -748 792 -536 2 -1423 -110 -544 -1195 -659 -2011 353 -739 139 -37 742 -730 -142 269 43 622 54 1479 -395 231 502 1123 -422 649 150 996 939 -32 532 -449 -214 -441 16 -717 -58 222 502 197 -309 234 -970 713 -1693 281 -368 -2024 -282 -1962 527 -581 952 -2472 793 -1708 369 -298 978 -716 -656 1728 -1080 443 -1425 1131 -801 251 228 -14 309 -426 283 -1081 818 -66 1737 -718 445 -104 1224 1271 309 504 -979 1572 -1930 881 -2059 424 -422 1206 -81 193 529 -413 1030 -2024 1146 142 430 -280 861 833 965 1745 267 1149 -692 1858 -823 1890 953 199 -629 172 -36 -922 942 -982 840 -2033 1255 -768 -772 -391 -1115 -1113 -2531 815 -1019 658 -92 774 12 1485 34 394 1333 264 783 -982 1046 -691 2 -1566 -117 -616 -1457 -837 -2715 490 -1118 225 -63 1256 -1205 -219 386 61 889 81 2347 -656 379 800 1730 -633 924 205 1325 1321 -50 884 -792 -388 -826 32 -1496 -125 483 1104 430 -651 471 -1905 SS 20241117T113300.0Z 9087.481250 406 1 50.03 2 69.97 181.35 100.32 341.14 0.00 1 0.00 1 0 17 1.616e-01 1.690e-02 2.161e-01 1.644e-02 3.799932e-01 8.262628e-03 4.965133e-03 -6.000000e+00 9.011225e-02 221.06 -2.00 3.79 -2.00 319.45 0.00e+00 1.499694e-03 2.104300e-03 1.962452e-04 -6.000000e+00 3.886532e-03 271.97 -2.00 20.00 -2.00 318.95 0.00e+00 2.889 0.000 302.00 328.00 3 5.8988e+00 2.2802e-02 3.5126e-02 -6.0000e+00 2.2143e-01 9.5148e-02 2.6540e-02 2.0993e-02 -6.0000e+00 2.4146e-01 -3.0673e-02 2.1033e-02 1.0739e-02 -6.0000e+00 1.4357e-01 9.3058e-03 1.1246e-02 3.4954e-03 -6.0000e+00 6.2438e-02 5.1344e-05 -9.5527e-04 4.8802e-04 3.9014e-05 -6.0000e+00 4.3043e-03 -2.3828e-03 0.0000e+00 12 8 8 10 0 0 99.98 18.40 0.81 -0.00238 -0.00956 45 9 4 8 0 1111.390 15.00 18.40 15.62 20.87 21.38 1.5 918.99 900000 4585 56779 -8383 73697 -24859 45231 -52074 66922 68168 -6402 60486 -19096 27776 -19559 12613 -1301 15903 -13296 32936 41566 -15738 -7307 -4359 11712 -16964 24094 5752 12817 16892 -20020 5565 1423 258 5124 7510 -6538 -1983 -6816 -7217 1530 -901 -3073 -1582 3748 -9746 3272 -10392 -1250 -1295 12162 3896 165 7596 3528 8281 -4292 791 -1494 2669 209 1395 1947 249 3469 -2724 1884 -4962 -1740 2979 7867 67 -320 1251 193 1649 -3879 4227 -3339 3075 -5808 1908 -4555 -1907 -3760 195 919 -683 4060 -1797 1502 1514 1004 -2747 1184 953 7 1393 457 1009 -1371 -536 -1535 219 -921 -2321 -1852 331 -36 -1177 919 615 -15 111 792 -352 243 433 276 -496 -847 316 -709 1891 -1038 1522 -511 2012 -147 2156 904 -659 723 -1733 -338 -423 465 -291 820 -211 -312 623 -1084 900000 135 1098 -294 1181 -857 834 -2636 1256 1369 -263 1356 -1015 1127 -1464 803 -103 1133 -1320 2206 2650 -1720 -742 -454 1119 -2239 2209 611 1200 1496 -2681 653 193 38 712 962 -999 -331 -1421 -1807 398 -256 -930 -485 1093 -3274 969 -3495 -384 -402 3494 1319 62 2834 1442 3329 -1999 354 -670 1126 91 638 975 139 1975 -1599 986 -2687 -944 1729 4888 48 -233 874 128 982 -2190 2078 -1803 1748 -4113 1409 -3920 -1686 -3580 192 950 -748 4313 -1977 1509 1407 865 -2337 1007 896 7 1638 597 1344 -1793 -641 -1697 232 -1053 -2888 -2398 441 -50 -1803 1491 1047 -25 181 1198 -502 335 610 411 -794 -1406 516 -1137 2867 -1545 2124 -691 2601 -204 3211 1464 -1139 1267 -3202 -650 -864 975 -627 1769 -454 -646 1222 -2077 SS 20241117T114658.7Z 9087.490957 414 1 48.01 2 70.09 184.86 100.94 344.08 0.00 1 0.00 1 0 17 3.524e-01 3.790e-02 3.376e-01 3.530e-02 3.723476e-01 1.783855e-02 4.896039e-03 -6.000000e+00 1.991560e-01 221.06 -2.00 3.79 -2.00 319.30 0.00e+00 1.584900e-03 4.451912e-03 4.285052e-04 -6.000000e+00 8.680049e-03 271.97 -2.00 20.00 -2.00 318.81 0.00e+00 2.906 0.000 302.00 328.00 3 6.7776e+00 4.9175e-02 3.5031e-02 -6.0000e+00 4.9105e-01 1.2620e-01 5.7294e-02 2.0582e-02 -6.0000e+00 5.3564e-01 1.6809e-02 4.5191e-02 1.0806e-02 -6.0000e+00 3.1586e-01 -1.0690e-02 2.4050e-02 3.6605e-03 -6.0000e+00 1.3573e-01 2.0343e-05 9.1331e-05 1.0470e-03 4.0613e-05 -6.0000e+00 9.7569e-03 -9.2710e-03 0.0000e+00 12 8 8 10 0 0 99.85 18.39 2.89 -0.00927 -0.00858 12 2 2 8 0 4000.000 14.99 18.39 15.48 20.87 21.38 1.5 918.30 -50181 -105730 40340 69841 900000 91133 143179 900000 900000 114489 85878 103437 5101 900000 -73186 173881 13479 34315 125249 13944 16147 98054 37663 2965 44365 15046 -17547 23407 -10766 63330 31527 20522 32640 69448 22982 -40 26327 -2550 16890 -21942 16062 -7061 2034 11 -6888 8262 -6240 -13395 -2344 -11534 11152 -133 2111 11749 -12317 9153 -1849 9910 -906 7078 7968 8038 1699 14212 4637 -11694 1311 -4189 1301 -8788 3278 348 -1442 9391 -2958 1266 -12661 7207 -5168 11412 -8702 3702 3675 -1476 4295 -5272 -5340 -218 -768 300 -4813 814 5877 1894 4287 7347 450 -991 -806 6893 2801 -91 -3002 -5553 -2864 -1299 -1557 550 3852 -257 3020 380 2642 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