File name: Pandora21s1_Bremen_20221104_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T125548.3Z 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_20221104_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: 20221104 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 20221104T083901.5Z 8343.360434 182 1 24.31 2 75.64 142.88 134.23 11.05 0.00 1 0.00 1 0 25 2.323e-01 8.632e-03 2.518e-01 7.003e-03 5.601074e-01 3.693946e-03 7.216559e-03 -6.000000e+00 1.363325e-01 221.95 -2.00 3.88 -2.00 320.26 0.00e+00 3.680289e-05 1.142087e-03 4.083099e-04 -6.000000e+00 5.640427e-03 272.45 -2.00 20.00 -2.00 319.98 0.00e+00 3.947 0.001 302.00 328.00 3 4.1919e+00 1.0395e-02 5.0164e-02 -6.0000e+00 3.3644e-01 1.4058e-01 1.2744e-02 3.1772e-02 -6.0000e+00 3.6681e-01 -4.7275e-02 1.2970e-02 1.7111e-02 -6.0000e+00 2.1609e-01 2.0276e-03 6.8601e-03 5.5084e-03 -6.0000e+00 9.0913e-02 8.0155e-05 -8.8093e-04 2.1352e-04 7.0103e-05 -6.0000e+00 6.9594e-03 -2.4197e-02 4.8229e-05 12 9 1 12 1 1 99.93 22.12 0.32 -0.02420 -0.03082 8 4 1 5 0 2676.470 25.28 20.00 22.12 17.46 30.5 1000.74 -89212 36206 -14936 5547 58282 900000 -34731 80049 -892 21511 -16249 -61971 177056 64474 78653 21857 -8856 -13131 -36613 -760 -6151 -6472 -19883 1091 -24730 -14547 -20037 -2820 -7057 14587 -26910 18472 -8040 2678 -21379 -4009 -4889 -3309 1691 3659 1987 -1343 -745 4536 9601 -5287 290 2395 1306 -2539 5235 2861 -176 -1963 1471 5573 3763 -1815 -454 1603 1053 4482 1715 -221 2290 501 -812 1944 1118 -198 2189 478 -70 -386 54 -872 -479 -3396 707 892 -1822 -1226 -1443 -1016 -1896 -502 -440 65 113 -219 247 1922 -621 1798 -407 643 1290 1254 120 514 -301 -1367 -23 74 -2092 -1498 48 170 -377 -78 -542 -156 437 467 -100 492 109 485 -917 -751 407 -178 -86 73 199 407 1066 1216 222 -293 -48 818 1037 -171 -107 -303 -11 73 -763 -38 -397 -323 596 -1325 247 -141 43 398 900000 -385 547 -9 198 -224 -1407 1209 673 871 469 -280 -470 -1741 -27 -241 -258 -930 45 -1414 -805 -1193 -141 -360 628 -1887 981 -618 201 -2005 -317 -415 -320 187 473 296 -223 -129 770 1572 -1009 53 438 249 -527 1091 671 -46 -568 437 1664 1178 -603 -147 499 334 1468 637 -92 985 218 -350 820 506 -101 1205 283 -42 -224 29 -435 -220 -1559 330 471 -1129 -850 -1096 -818 -1624 -449 -413 62 109 -208 222 1601 -503 1412 -345 600 1345 1457 152 665 -381 -1620 -25 79 -2344 -1761 58 216 -512 -114 -858 -259 731 766 -157 738 161 728 -1447 -1231 671 -290 -136 112 297 585 1476 1679 327 -472 -83 1485 1952 -338 -221 -655 -23 165 -1732 -85 -857 -667 1183 SS 20221104T084435.8Z 8343.364303 186 1 50.04 2 75.14 144.17 134.04 12.88 0.00 1 0.00 1 0 25 4.759e-01 2.236e-02 3.399e-01 2.005e-02 5.599083e-01 1.079611e-02 7.389838e-03 -6.000000e+00 2.774635e-01 221.95 -2.00 3.88 -2.00 320.53 0.00e+00 1.167361e-03 3.397154e-03 3.805550e-04 -6.000000e+00 1.233503e-02 272.45 -2.00 20.00 -2.00 320.21 0.00e+00 3.824 0.001 302.00 328.00 3 4.9988e+00 3.0674e-02 4.9328e-02 -6.0000e+00 6.8484e-01 2.9200e-02 3.7419e-02 3.1900e-02 -6.0000e+00 7.4740e-01 3.8332e-02 3.6677e-02 1.6960e-02 -6.0000e+00 4.4186e-01 -1.0345e-02 1.9304e-02 5.3519e-03 -6.0000e+00 1.8833e-01 4.0836e-05 -4.7060e-03 6.3295e-04 7.6530e-05 -6.0000e+00 1.4384e-02 -1.7095e-02 -6.6198e-04 12 8 8 10 0 0 99.99 22.12 0.25 -0.01710 -0.05246 170 33 1 5 0 294.303 25.28 20.00 22.12 17.61 30.6 1000.53 -73411 900000 900000 -32343 -98879 -131009 -39910 -130482 108465 -43525 900000 68420 73165 -30030 378855 -52795 94207 -21337 -53916 170565 -43383 900000 28593 36024 45574 -19240 21964 -38923 91654 1711 87445 -27057 25359 -8589 29801 -31549 48072 -4930 -25830 1717 -9066 313 -10916 17339 1081 11593 11477 18179 12164 3224 24368 -6449 27279 -11024 14815 -5894 9962 -2952 -6018 1280 -4292 11850 -2258 5927 -1907 6560 4324 6991 704 4379 -2723 -4028 -371 -4627 4081 -1348 10855 3835 2415 574 -6052 -267 -5133 840 -5625 620 -659 904 255 832 1887 -96 6800 2734 2488 -1119 2943 85 -854 -522 -2222 -221 -1124 1695 -4222 157 -2453 1438 -2748 940 -743 -1930 1304 547 1102 224 -38 645 -78 -1194 -879 -109 -824 1734 -1145 2028 345 3101 1054 651 767 216 -380 431 244 -82 943 175 479 -1163 -424 -345 -1098 -1434 900000 900000 -632 -2293 -3834 -780 -4431 2119 -908 900000 1337 1430 -901 7403 -2518 1841 -956 -3269 3333 -2624 900000 1064 1348 1697 -1217 1044 -2884 2549 96 2856 -2335 1640 -760 1981 -3321 2943 -507 -3632 225 -1432 49 -1958 2554 184 1839 1852 2831 2048 610 4167 -1539 5346 -3167 3619 -1780 2708 -901 -1860 368 -1314 3375 -795 2129 -773 2468 1624 2584 292 1954 -1418 -2240 -201 -2524 1934 -616 4152 1527 1029 280 -3576 -168 -3701 611 -4592 507 -574 802 229 727 1552 -75 4763 1971 1911 -991 2840 94 -1045 -655 -2735 -246 -1166 1669 -4568 173 -2903 1731 -3683 1327 -1160 -3237 2153 887 1691 329 -55 943 -121 -1945 -1452 -175 -1295 2574 -1681 2781 464 4050 1495 1022 1312 396 -730 861 514 -183 2155 410 1126 -2729 -946 -730 -2241 SS 20221104T094008.6Z 8343.402878 217 1 2.88 2 71.09 157.51 130.87 30.29 0.00 1 0.00 1 0 25 4.373e-02 6.597e-03 3.892e-02 4.267e-03 4.398406e-01 2.189082e-03 5.870790e-03 -6.000000e+00 2.555591e-02 221.95 -2.00 3.88 -2.00 318.55 0.00e+00 6.094064e-04 4.238372e-04 1.753161e-04 -6.000000e+00 1.047889e-03 272.44 -2.00 20.00 -2.00 318.27 0.00e+00 3.049 0.001 302.00 328.00 3 2.8092e+00 5.8283e-03 3.8859e-02 -6.0000e+00 6.3110e-02 5.0732e-02 6.5967e-03 2.4493e-02 -6.0000e+00 6.8790e-02 -2.0842e-02 4.8747e-03 1.2576e-02 -6.0000e+00 4.0613e-02 3.1498e-03 2.6370e-03 3.7915e-03 -6.0000e+00 1.7113e-02 8.9718e-04 -9.4609e-04 1.2800e-04 4.6125e-05 -6.0000e+00 1.3099e-03 -2.4685e-02 9.9108e-06 12 9 1 12 1 1 84.31 21.97 0.20 -0.02468 -0.03179 5 22 1 5 0 449.540 25.17 19.98 21.97 18.53 30.2 1004.34 -2378 4089 16325 -16713 23202 8593 15513 10846 11983 -9074 -7776 -11421 -19018 790 3044 -1998 6206 361 -1112 5595 1746 -6212 -1345 106 -446 -2458 -2593 -3499 -475 -1631 110 -653 2143 -6766 943 -2582 -467 -379 -1830 -1320 -191 -1171 -2035 576 -66 -228 128 -708 181 229 1228 33 2561 878 1523 767 1909 1578 -6 1114 -474 1607 399 655 629 217 703 769 595 618 -18 -849 -217 -1656 -656 400 -200 864 -175 -38 -359 -1392 -1471 -1023 -1034 -760 -323 -433 103 95 -366 615 1078 1921 1693 519 925 -112 -139 -673 -606 -471 207 908 -722 -735 -521 -264 203 -350 -25 -418 -7 427 7 761 318 1100 352 -645 -748 -460 -780 47 322 474 862 851 639 154 183 145 41 -129 49 -75 71 -85 -357 -257 94 -338 57 -73 134 521 -683 631 260 458 376 447 -438 -387 -633 -1274 54 235 -182 574 38 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