File name: Pandora21s1_Bremen_20220302_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T100809.1Z 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_20220302_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: 20220302 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 20220302T070743.5Z 8096.297032 86 1 50.27 2 82.53 112.61 87.26 119.15 0.00 1 0.00 1 0 25 6.172e-01 2.556e-02 3.742e-01 1.166e-02 1.086925e+00 7.504704e-03 1.282544e-02 -6.000000e+00 3.796305e-01 224.31 -2.00 3.88 -2.00 322.47 0.00e+00 1.179457e-02 3.523828e-03 2.073925e-03 -6.000000e+00 1.746709e-02 267.18 -2.00 20.00 -2.00 322.13 0.00e+00 7.138 0.008 302.00 328.00 3 1.1342e+00 2.5637e-02 9.6333e-02 -6.0000e+00 9.5156e-01 1.3321e+00 3.6941e-02 6.5735e-02 -6.0000e+00 1.0462e+00 -1.7280e+00 4.0416e-02 3.8749e-02 -6.0000e+00 6.0543e-01 6.9715e-01 1.9676e-02 1.4137e-02 -6.0000e+00 2.4696e-01 4.1728e-05 -2.7413e-03 3.5364e-04 2.3203e-04 -6.0000e+00 1.9701e-02 -1.4611e-02 7.5786e-05 12 8 8 10 0 0 -4.58 22.10 0.51 -0.01461 -0.03521 76 15 1 5 0 661.408 25.17 20.00 22.10 8.57 28.0 1014.27 -13220 -60191 -42592 900000 20809 900000 -164116 900000 -193550 900000 -135256 900000 -37006 -14443 900000 -26574 900000 -55325 900000 -51128 900000 -9898 900000 900000 45603 27096 29892 900000 -99709 900000 -65364 87358 52223 900000 900000 43359 238142 -14329 93532 -38122 900000 22572 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462 4188 -140 2504 97 -60 2031 -1970 1708 -2277 3185 -2370 960 -2147 -1939 -1225 -3336 79 -3303 2032 -3813 1826 -3228 -772 -3816 -2480 -1143 -2432 -2579 -3714 -351 -2919 1112 -1071 2161 157 1617 -356 -1839 1898 553 4574 -1008 3457 467 5363 2691 -48 3452 130 2693 -2146 3656 -2451 1384 753 294 -2127 -2179 1034 -3006 -477 SS 20220302T071517.4Z 8096.302284 90 1 50.10 2 81.49 114.18 86.28 120.63 0.00 1 0.00 1 0 25 8.777e-01 1.122e-02 3.936e-01 6.292e-03 1.017651e+00 3.772701e-03 1.196020e-02 -6.000000e+00 5.243631e-01 224.31 -2.00 3.88 -2.00 322.24 0.00e+00 5.029004e-03 1.762261e-03 1.887442e-03 -6.000000e+00 2.190513e-02 267.18 -2.00 20.00 -2.00 321.90 0.00e+00 6.370 0.006 302.00 328.00 3 1.1480e+00 1.2908e-02 8.8154e-02 -6.0000e+00 1.3041e+00 4.1855e-01 2.3413e-02 6.4276e-02 -6.0000e+00 1.4225e+00 -5.4264e-01 2.9523e-02 4.0114e-02 -6.0000e+00 8.3319e-01 2.1696e-01 1.3483e-02 1.4732e-02 -6.0000e+00 3.4736e-01 1.0954e-04 -1.6189e-03 1.8666e-04 2.1384e-04 -6.0000e+00 2.6699e-02 -1.5124e-02 9.1474e-05 12 8 8 10 0 0 24.96 22.09 0.44 -0.01512 -0.02729 141 28 1 5 0 355.266 25.17 20.00 22.09 9.50 28.4 1020.48 -351940 -359797 900000 -279544 -354542 -236971 900000 -181388 900000 -262530 -231689 -275842 -233019 -205761 -207058 900000 -102668 -79687 -118609 -54044 -116054 -51544 -161044 -80304 900000 -72603 -76259 46328 31598 -53194 -56297 -20687 29578 4897 -23841 16083 81525 -28130 -21344 -18544 -3979 32605 6299 12182 54043 -8976 27072 13559 26730 14509 17451 8136 42998 25474 20568 918 26458 10162 11062 9110 8703 8143 8736 4293 5474 13316 22550 9841 6961 6904 11186 2336 4501 850 -3675 1243 400 3995 -1128 2391 -2870 2480 -1232 -76 102 -238 -803 -71 -387 522 -491 178 2615 372 -705 -891 -16 293 -1122 -527 -989 475 376 -341 -2462 -1218 -1859 -2063 -722 -808 -346 -983 -383 58 -2 549 907 404 -428 -42 -634 1027 144 725 122 526 1683 1296 323 -121 617 433 309 -11 141 -412 104 65 -564 -246 92 -37 -203 -2942 -4010 900000 -1714 -3952 -1453 900000 -1112 900000 -1609 -1420 -2613 -1948 -1835 -2539 900000 -687 -488 -1190 -331 -1229 -316 -2782 -671 900000 -647 -722 284 194 -474 -659 -219 254 55 -359 161 500 -549 -476 -486 -104 654 176 333 994 -320 709 438 834 574 768 416 1917 1379 1271 73 1690 763 797 647 627 645 799 480 679 1612 2580 1262 1027 1172 2031 489 917 169 -690 199 61 605 -206 515 -793 767 -449 -30 42 -105 -373 -34 -184 239 -215 73 1041 160 -352 -495 -11 227 -996 -488 -889 381 268 -229 -1730 -893 -1453 -1748 -675 -876 -432 -1381 -568 87 -3 779 1277 590 -658 -67 -989 1494 199 959 157 656 2031 1627 465 -206 1201 939 729 -29 360 -1122 291 184 -1592 -667 248 -92 -472 SS 20220302T073215.5Z 8096.314068 95 1 49.96 2 79.19 117.76 84.15 124.01 0.00 1 0.00 1 0 25 6.205e-01 7.936e-03 2.050e-01 2.263e-03 8.360245e-01 1.279039e-03 1.006178e-02 -6.000000e+00 3.655007e-01 224.31 -2.00 3.88 -2.00 321.68 0.00e+00 5.042291e-03 5.434740e-04 1.207852e-03 -6.000000e+00 1.505088e-02 267.18 -2.00 20.00 -2.00 321.36 0.00e+00 5.138 0.003 302.00 328.00 3 9.4764e-01 4.0492e-03 7.0911e-02 -6.0000e+00 9.0725e-01 1.3119e-01 6.4627e-03 5.1052e-02 -6.0000e+00 9.8767e-01 -1.5179e-01 8.0935e-03 3.0602e-02 -6.0000e+00 5.8252e-01 5.4786e-02 3.8696e-03 1.0833e-02 -6.0000e+00 2.4508e-01 5.1791e-04 -9.5363e-04 6.6779e-05 1.4639e-04 -6.0000e+00 1.8626e-02 -1.5772e-02 9.0331e-05 11 8 0 10 0 0 5.74 22.10 0.24 -0.01577 -0.02294 345 68 1 5 0 144.780 25.17 20.00 22.10 11.31 28.3 1028.22 -134396 -315405 900000 -271296 -173103 -133667 -218847 -130652 -228173 -133350 -223043 -110416 -183048 23893 -83045 -17326 -22584 -65014 5782 -64992 -39153 -82436 9928 -95580 -45204 -62760 -39746 -41727 -35661 -18318 -53524 -5768 -26862 -10893 -5306 7377 -10555 2878 11863 -522 4629 -4568 7671 1665 8742 -4201 8393 8766 2205 14278 6376 10418 6397 9450 5441 6225 2067 5003 6657 2430 5596 1387 6006 2567 6098 1736 4802 1505 2756 2324 1179 1629 24 1214 -1594 1731 -536 -645 559 -1640 -219 -1023 -911 -2252 -1239 -1770 6 -755 510 495 703 1248 -123 1062 -867 35 83 359 -606 -203 7 -238 383 -48 -789 -1305 -733 -892 -336 -199 -320 -183 -38 353 278 847 426 619 -328 -580 -225 56 -204 -190 290 69 1001 1039 591 183 421 139 220 265 -370 -153 -81 106 -460 -246 -34 -46 287 -296 -3943 900000 -2720 -625 -354 -1317 -404 -1922 -530 -2192 -463 -1909 53 -583 -88 -131 -665 32 -795 -385 -1273 64 -1757 -598 -1057 -550 -594 -493 -239 -1122 -103 -652 -250 -117 144 -266 75 345 -19 186 -222 354 85 430 -244 450 498 145 916 500 831 597 944 611 733 263 620 793 296 675 191 907 461 1164 358 973 330 615 596 341 496 7 352 -435 441 -131 -160 153 -513 -81 -443 -442 -1196 -694 -1057 4 -484 323 305 409 682 -66 583 -542 25 71 354 -631 -219 7 -239 345 -41 -706 -1243 -734 -960 -372 -249 -454 -284 -61 563 429 1252 625 933 -522 -959 -370 88 -307 -275 403 93 1298 1378 875 314 812 294 468 603 -906 -396 -215 285 -1244 -643 -84 -106 657 SS 20220302T073803.9Z 8096.318101 98 1 49.87 2 78.42 119.00 83.43 125.18 0.00 1 0.00 1 0 25 5.612e-01 6.531e-03 1.371e-01 1.738e-03 7.918961e-01 9.659490e-04 9.577212e-03 -6.000000e+00 3.305995e-01 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