File name: Pandora162s1_Brussels-Uccle_20241202_L2Fit_fout2c13d20231120p1-8.txt File generation date: 20241202T233958.4Z 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_20241202_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: 20241202 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 20241202T091358.2Z 9102.384702 120 1 50.23 2 78.95 147.62 90.71 138.87 0.00 1 0.00 1 0 25 7.486e-01 3.760e-02 4.037e-01 2.360e-02 6.326091e-01 1.282603e-02 8.038524e-03 -6.000000e+00 4.207795e-01 220.76 -2.00 3.79 -2.00 321.23 0.00e+00 -1.594370e-03 5.120904e-03 3.100386e-03 -6.000000e+00 1.965897e-02 270.31 -2.00 20.00 -2.00 320.80 0.00e+00 5.036 0.003 302.00 328.00 3 3.9626e+00 3.9981e-02 6.2833e-02 -6.0000e+00 1.0392e+00 3.1686e-01 5.0545e-02 4.2616e-02 -6.0000e+00 1.1374e+00 -5.1671e-01 4.6801e-02 1.9859e-02 -6.0000e+00 6.7069e-01 2.3683e-01 2.3458e-02 6.4700e-03 -6.0000e+00 2.9047e-01 3.6721e-05 -1.1137e-03 7.0441e-04 8.3728e-05 -6.0000e+00 2.0459e-02 -5.1586e-03 0.0000e+00 12 8 8 10 0 0 99.99 18.42 0.71 -0.00516 -0.01353 104 21 4 8 0 482.840 14.99 18.42 17.23 20.87 21.38 1.5 931.47 -155770 900000 -138756 16441 900000 457546 195870 -41440 900000 -137701 900000 -174161 123310 393973 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4892 -632 2466 -3263 5605 3287 6024 -2771 1995 5 1559 3926 -2010 7677 -359 6191 -1856 2630 -126 6178 2357 1692 4594 -2241 2594 -4790 4665 -2681 1370 -2528 241 476 341 767 -4065 5137 -1643 1850 -6092 1711 -3793 3781 -2131 -2115 -838 -2389 -1342 -7551 1585 -1838 -200 -1440 1219 -4050 -2354 2002 -4216 1957 -5986 1433 -621 2289 -3563 97 3243 2328 3137 -2662 4368 -3428 3748 -6869 5170 4393 929 4512 65 3418 -202 5550 1085 1856 -2278 2659 -2281 -473 -2465 -524 3689 -2849 1454 -6010 545 SS 20241202T104223.9Z 9102.446110 164 1 48.01 2 73.68 167.99 83.53 156.22 0.00 1 0.00 1 0 17 4.347e-01 3.373e-02 3.456e-01 3.130e-02 4.895214e-01 1.631098e-02 6.361782e-03 -6.000000e+00 2.448821e-01 220.76 -2.00 3.79 -2.00 320.15 0.00e+00 6.977748e-04 5.036440e-03 6.950844e-04 -6.000000e+00 1.156907e-02 270.30 -2.00 20.00 -2.00 319.70 0.00e+00 3.501 0.001 302.00 328.00 3 6.0169e+00 4.6502e-02 4.3705e-02 -6.0000e+00 6.0215e-01 2.1178e-01 5.5838e-02 2.7479e-02 -6.0000e+00 6.5820e-01 -1.6862e-01 4.8331e-02 1.4055e-02 -6.0000e+00 3.8971e-01 7.8717e-02 2.5249e-02 4.3724e-03 -6.0000e+00 1.6940e-01 2.1435e-05 -2.3794e-03 9.2733e-04 5.1199e-05 -6.0000e+00 1.1893e-02 -4.6427e-03 0.0000e+00 12 9 8 11 8 0 99.97 18.46 2.34 -0.00464 -0.02252 12 2 4 8 0 4000.000 14.98 18.46 17.05 20.87 21.38 1.5 930.13 900000 -48861 161084 -91508 900000 900000 -56581 -164254 184829 -78731 900000 23111 900000 -27145 266630 2566 6154 900000 1945 -4076 161789 -45673 -24701 3737 18157 5928 -16288 110646 74230 688 -5452 43883 7366 86754 25589 23683 42055 25482 3861 -5431 -6792 5234 -50 10110 -956 587 29100 -1405 16529 -1026 26966 -11291 -760 22828 -17324 28629 -5204 7474 -2534 4889 9526 20323 2419 -258 10570 -5676 4665 4177 6691 -8544 5891 3354 -2526 -3419 3574 2166 -8255 8263 -6232 4968 -2155 445 -3197 -6807 -2951 -2349 2907 -3323 2852 -1618 660 4506 -10400 -2951 862 1132 662 3839 3603 -1801 -3463 1298 1038 4450 -5789 -3 -790 847 -181 944 -1043 -1333 1816 -1490 2852 94 -2604 2979 106 2864 -1385 -726 -3122 4619 -666 2910 3290 4256 -2357 -1764 200 -1506 2656 -1070 -294 557 -909 -306 1902 -813 -1007 -858 486 900000 -1490 4911 -4055 900000 900000 -1725 -13796 5635 -3592 900000 705 900000 -1098 8129 111 284 900000 107 -247 4932 -4246 -1880 230 1045 407 -1424 3373 2480 46 -419 2396 648 3899 2054 1821 2795 2249 503 -933 -1358 1001 -11 1987 -209 127 4796 -311 3117 -235 4983 -3326 -220 5620 -6716 7332 -1910 2448 -896 1565 2904 5885 923 -112 4445 -2756 1940 1706 2770 -4603 3116 1945 -1579 -2086 1904 1064 -4036 3255 -2904 2343 -1264 289 -2392 -5611 -2469 -2092 2600 -3294 2703 -1574 592 3606 -8964 -2276 668 980 652 4154 4345 -2371 -4474 1471 1068 4253 -6439 -4 -940 1045 -240 1345 -1663 -2267 3041 -2492 4300 137 -3748 4155 159 4455 -2311 -1190 -5055 6716 -975 3946 4252 5316 -3330 -2750 333 -2720 4769 -2069 -597 1187 -2025 -689 4252 -1835 -2176 -1749 934 SS 20241202T110318.5Z 9102.460631 174 1 44.66 2 73.14 173.01 82.37 160.53 0.00 1 0.00 1 0 17 2.712e-01 8.851e-03 1.936e-01 6.793e-03 4.664637e-01 3.458899e-03 5.926052e-03 -6.000000e+00 1.511717e-01 220.76 -2.00 3.79 -2.00 320.18 0.00e+00 -1.073013e-04 1.109470e-03 4.808804e-04 -6.000000e+00 6.456506e-03 270.30 -2.00 20.00 -2.00 319.74 0.00e+00 3.395 0.001 302.00 328.00 3 4.3067e+00 9.9275e-03 4.1936e-02 -6.0000e+00 3.7148e-01 3.1705e-02 1.2118e-02 2.5878e-02 -6.0000e+00 4.0486e-01 1.7187e-02 1.1429e-02 1.3620e-02 -6.0000e+00 2.4066e-01 -1.6436e-02 5.9866e-03 4.2585e-03 -6.0000e+00 1.0402e-01 1.4419e-04 -5.7082e-04 1.9922e-04 4.8739e-05 -6.0000e+00 7.1565e-03 -1.2795e-02 0.0000e+00 11 8 0 10 0 0 99.99 18.42 0.20 -0.01279 -0.01708 60 12 4 8 0 744.230 15.05 18.42 17.68 20.87 21.38 1.5 935.78 88251 -33404 -35608 52306 -3642 -57002 -85652 251834 -53964 -19466 -1225 -16238 142 72409 -1662 16660 -4260 -4184 15517 -9480 -360 -22075 220 -3791 25740 -3404 -7827 24276 -28951 2843 -12039 15803 -11129 6527 3821 938 9709 1082 3718 -6138 -2763 -3316 3186 -3623 3283 -4285 -83 -934 -2233 2209 1101 3301 2062 5277 -2754 1110 3451 -1129 921 -16 -1317 -749 3156 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