File name: Pandora21s1_Bremen_20221020_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T124723.2Z 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_20221020_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: 20221020 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 20221020T070218.6Z 8328.293270 266 1 50.91 2 82.23 118.94 35.99 169.80 0.00 1 0.00 1 0 17 6.179e-01 2.582e-02 3.471e-01 1.689e-02 7.267645e-01 9.830994e-03 8.833530e-03 -6.000000e+00 3.730773e-01 223.70 -2.00 3.88 -2.00 321.63 0.00e+00 4.731168e-03 4.046240e-03 9.742373e-04 -6.000000e+00 1.834728e-02 274.66 -2.00 20.00 -2.00 321.30 0.00e+00 6.892 0.007 302.00 328.00 3 2.3883e+00 3.0846e-02 8.0250e-02 -6.0000e+00 9.3275e-01 5.3710e-01 4.1153e-02 4.3042e-02 -6.0000e+00 1.0219e+00 -6.0613e-01 4.4463e-02 2.4250e-02 -6.0000e+00 5.9071e-01 2.4530e-01 2.2209e-02 8.3888e-03 -6.0000e+00 2.4895e-01 2.5054e-05 -1.1152e-04 5.5751e-04 1.2034e-04 -6.0000e+00 1.9636e-02 -2.2986e-02 1.3589e-04 12 8 8 10 0 0 25.49 22.02 0.41 -0.02299 -0.02382 28 5 1 5 0 1817.822 25.17 20.00 22.02 13.33 29.6 1007.41 900000 -203235 900000 -126201 -177011 20583 900000 900000 -160575 900000 900000 900000 -182572 21818 -61265 12651 -55721 54940 900000 64225 148048 -56378 900000 -23749 2080 474917 -17803 900000 -100346 63748 -49151 42058 55313 67821 -8592 900000 900000 22299 11394 25527 33129 8895 94739 31857 67789 31161 4374 28379 39839 11586 22425 65769 45361 21509 30191 24539 13247 15109 22037 28321 1265 -2843 18527 1468 2716 -4447 22795 3700 20104 3128 10461 1919 -8020 -4621 -8459 -3353 -1296 -5081 -2248 1687 5583 350 4805 -5483 1018 2148 -624 423 2016 817 -1100 874 -3874 4970 828 252 -3684 -1651 -2063 -435 670 -2529 2017 -5369 2470 -2738 -5041 -3886 -2836 -1174 -53 -879 -1222 129 -1410 1074 3062 307 -305 481 1494 1973 640 167 2808 2069 2227 296 2147 -722 1410 1032 1067 579 -822 205 332 -575 -2019 219 -1378 258 500 900000 -7652 900000 -2429 -4982 338 900000 900000 -4291 900000 900000 900000 -8698 359 -1515 208 -1732 903 900000 1055 2433 -2090 900000 -691 50 7804 -533 900000 -6105 1047 -2304 1025 1363 1597 -397 900000 900000 912 602 1378 1860 663 3430 2069 3229 2087 380 2047 2715 1081 2065 4526 4084 2583 3537 3139 1918 2143 2861 3396 197 -493 2949 306 600 -1064 4212 836 4216 864 2967 621 -2851 -1519 -2660 -912 -322 -1307 -616 518 1937 146 2133 -2881 534 1182 -371 257 1215 486 -633 464 -2076 2492 474 167 -2943 -1485 -2060 -443 653 -2334 1628 -4490 1993 -2465 -4904 -3993 -3151 -1434 -71 -1294 -1865 192 -2058 1475 4086 433 -455 742 2300 2944 930 236 3749 2695 2821 388 3033 -1186 2528 2009 2203 1271 -1947 509 850 -1507 -5372 558 -3391 588 1084 SS 20221020T071426.1Z 8328.301691 269 1 50.07 2 80.66 121.50 35.78 174.63 0.00 1 0.00 1 0 25 4.280e-01 1.039e-02 2.730e-01 6.534e-03 6.499349e-01 3.617654e-03 8.022923e-03 -6.000000e+00 2.533147e-01 223.70 -2.00 3.88 -2.00 321.31 0.00e+00 4.158487e-03 1.413277e-03 7.592269e-04 -6.000000e+00 1.060676e-02 274.66 -2.00 20.00 -2.00 320.99 0.00e+00 5.861 0.004 302.00 328.00 3 2.2699e+00 1.1008e-02 6.9038e-02 -6.0000e+00 6.2948e-01 1.8177e-01 1.5109e-02 3.8517e-02 -6.0000e+00 6.8658e-01 -1.4793e-01 1.7503e-02 2.1790e-02 -6.0000e+00 4.0393e-01 4.8003e-02 8.7500e-03 7.4418e-03 -6.0000e+00 1.7003e-01 8.5469e-05 -7.0126e-04 2.1088e-04 1.0099e-04 -6.0000e+00 1.2915e-02 -2.1201e-02 1.0329e-04 12 8 8 10 0 0 80.23 22.02 0.24 -0.02120 -0.02647 48 9 1 5 0 1042.979 25.17 20.00 22.02 13.75 29.7 1010.04 900000 -211616 -85380 -161695 -168339 -94698 -121847 -65143 -152450 900000 -86332 55203 -71687 -58829 113571 -31567 900000 -76271 -20653 -68907 -2376 -7994 106030 73102 72936 -10741 -69117 26654 -37029 94343 -21921 25339 -565 -1763 13011 -2565 -8076 -4363 17935 -11444 24422 -5450 5282 5325 11355 -474 12464 5418 8199 17692 -5390 11271 818 7365 10470 7570 -1153 -3126 6056 411 5678 -2322 7587 -426 5210 -955 -1730 3305 -1508 5520 912 4395 668 287 1206 2046 2880 1274 539 -4106 -1512 -3124 -923 -438 -204 -2377 -241 -733 -1118 285 -1077 2345 -552 -451 -7 581 893 243 -784 -753 867 -566 1104 -592 470 -1593 -625 113 -506 180 -850 -17 -386 421 -210 932 244 36 -565 -909 -591 326 758 53 655 -42 449 1228 734 -229 387 435 434 709 -207 139 -151 210 -715 -398 12 -378 150 900000 -4234 -597 -2266 -2387 -673 -1163 -415 -2345 900000 -847 352 -845 -782 723 -488 900000 -2200 -395 -2129 -42 -151 740 735 788 -257 -2826 467 -1142 964 -720 647 -21 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-1.3454e-01 1.8633e-02 1.8312e-02 -6.0000e+00 2.9287e-01 4.4945e-02 9.6187e-03 6.0726e-03 -6.0000e+00 1.2294e-01 5.3430e-05 -6.8778e-04 2.7571e-04 7.9152e-05 -6.0000e+00 9.3748e-03 -2.1944e-02 9.4027e-05 12 8 8 10 0 0 92.91 22.02 0.27 -0.02194 -0.02711 24 5 1 5 0 2067.801 25.17 20.01 22.02 14.30 30.0 1012.72 -67748 14624 43551 -113833 -69392 -140878 -102043 -2047 11849 -76462 -124818 143247 -118652 18756 -35693 -37172 46989 22250 -396 61772 40684 59886 25020 -12971 2297 5310 -29891 40644 -19370 -16115 -9093 15045 28675 -16897 -13944 3143 -7061 -12250 22039 -2294 -9667 7332 5520 5111 10784 -11192 -7122 1361 -5832 5720 5417 -977 1456 5937 -3852 2860 1049 -3107 5554 3414 7165 7708 2883 1867 5335 8245 2625 7967 -267 596 1306 2018 1290 297 -1873 -5275 -1933 -3447 -1305 -75 -222 -35 -1057 -770 -1493 -3211 -753 640 1951 284 2228 398 -92 2254 -1009 427 -344 595 -1380 -455 -1029 -2078 2080 53 -114 -1491 -655 -1024 -159 -883 -369 -397 915 -230 -552 727 652 1115 151 -455 -621 19 418 826 390 348 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