File name: Pandora21s1_Bremen_20231003_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T153737.4Z 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_20231003_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: 20231003 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 20231003T064815.2Z 8676.283509 261 1 50.02 2 79.31 111.48 57.09 264.60 0.00 1 0.00 1 0 25 2.095e-01 6.749e-03 2.256e-01 6.079e-03 5.634101e-01 3.352593e-03 7.044144e-03 -6.000000e+00 1.255101e-01 226.07 -2.00 3.88 -2.00 321.04 0.00e+00 1.788087e-03 1.233652e-03 5.801697e-04 -6.000000e+00 5.227205e-03 277.08 -2.00 20.00 -2.00 320.72 0.00e+00 5.188 0.003 302.00 328.00 3 2.7996e+00 1.0033e-02 6.0923e-02 -6.0000e+00 3.1257e-01 1.0843e-02 1.3194e-02 3.3551e-02 -6.0000e+00 3.3987e-01 1.8367e-03 1.4805e-02 1.8571e-02 -6.0000e+00 1.9931e-01 -1.0306e-02 7.5233e-03 6.1905e-03 -6.0000e+00 8.3607e-02 1.0945e-04 -9.2733e-04 2.0173e-04 8.1224e-05 -6.0000e+00 6.3952e-03 -3.1245e-02 3.7249e-05 11 8 0 10 0 0 99.75 22.75 0.31 -0.03125 -0.03821 80 16 1 5 0 624.326 25.79 20.00 22.75 26.06 34.6 1017.84 -97762 -61874 900000 5283 900000 -85659 900000 -97314 -95399 -28343 23822 -86793 -35621 -24690 -944 -5877 -40645 -23502 -12868 4882 12397 -32524 22905 -4009 18188 -8138 10859 15081 -13600 10458 -24534 9134 -15455 34107 6860 -16936 -11302 -7231 -1757 1553 -12006 5086 5988 -2225 -2386 1229 4150 573 682 5856 1417 4134 -184 4213 1264 3462 -711 993 332 2004 808 4418 2485 -2266 3645 -2414 3372 2945 2777 -281 1901 -1570 -1470 -197 -639 943 -668 1119 -1102 -1460 -1107 -1133 -2235 -990 -64 -1382 61 -784 528 -980 2164 1286 1230 120 824 792 -741 565 168 143 -207 -147 -228 587 -888 -1394 473 -668 572 -590 -95 153 140 83 62 661 321 291 -854 488 -911 -849 -46 235 17 211 527 827 730 54 108 46 -275 8 297 58 64 321 -361 -152 -553 89 233 -791 -424 900000 31 900000 -759 900000 -1139 -1237 -219 141 -1341 -414 -321 -12 -93 -985 -539 -291 100 248 -984 443 -105 424 -254 295 394 -452 293 -1038 333 -792 1228 316 -957 -646 -458 -126 128 -1267 500 617 -256 -281 143 480 70 86 745 203 637 -32 770 253 712 -157 219 73 429 178 1012 643 -680 1104 -778 1008 890 898 -105 773 -704 -668 -86 -263 351 -233 374 -400 -604 -529 -615 -1356 -637 -43 -1014 47 -630 424 -784 1602 900 817 80 579 626 -677 577 189 167 -235 -155 -222 551 -883 -1481 521 -787 714 -813 -142 244 227 132 94 955 457 424 -1321 783 -1512 -1394 -72 361 25 302 728 1138 1073 88 194 88 -550 18 654 135 154 792 -904 -375 -1323 202 510 SS 20231003T065315.4Z 8676.286984 264 1 6.10 2 78.62 112.53 57.80 265.62 0.00 1 0.00 1 0 25 1.954e-01 8.162e-03 2.079e-01 6.277e-03 5.431462e-01 3.352991e-03 6.899066e-03 -6.000000e+00 1.162503e-01 226.07 -2.00 3.88 -2.00 320.33 0.00e+00 1.257894e-03 1.058630e-03 4.228105e-04 -6.000000e+00 4.768662e-03 277.08 -2.00 20.00 -2.00 320.04 0.00e+00 4.896 0.003 302.00 328.00 3 2.2596e+00 9.5639e-03 5.7631e-02 -6.0000e+00 2.8971e-01 2.4440e-02 1.1765e-02 3.1620e-02 -6.0000e+00 3.1489e-01 -1.6563e-02 1.2115e-02 1.6855e-02 -6.0000e+00 1.8538e-01 -3.7197e-03 6.3565e-03 5.3818e-03 -6.0000e+00 7.8570e-02 2.5121e-04 -2.9785e-04 1.9623e-04 6.6694e-05 -6.0000e+00 5.9014e-03 -3.2818e-02 1.2486e-04 12 9 1 12 1 1 95.17 22.76 0.26 -0.03282 -0.03506 11 19 1 5 0 507.939 25.79 20.00 22.76 26.24 34.4 1018.80 900000 -52292 900000 -80751 24631 -50866 51800 6037 -108911 -43626 -68391 109947 -12470 23399 17826 -16137 -29217 18897 10527 -15897 -6433 18544 -17313 -19922 2598 -18733 8146 7366 -9062 6162 6214 11229 -13452 -1021 3847 478 -2644 -5147 10408 -3963 9178 -4242 5794 -4121 2454 678 7371 -2576 -2935 -321 -1525 6432 1800 5722 -1737 1812 1895 -568 797 -1134 3813 272 3647 792 2891 -268 1688 -3447 -1556 -261 -1163 -105 487 1838 278 1354 -1418 -122 -2129 -646 229 -3803 -1611 -2295 437 -734 596 -517 122 -239 713 1023 280 1645 -1031 1208 686 1263 -296 232 -36 478 246 -207 -8 -1157 -1352 -41 -35 -535 85 318 136 -190 567 124 263 245 563 -872 -668 -663 123 -434 469 -687 311 1228 1050 906 182 145 -346 33 -282 -121 -129 400 -443 65 -233 -259 340 900000 -564 900000 -1228 151 -552 317 46 -2640 -646 -1343 673 -191 318 309 -442 -1007 466 301 -607 -235 554 -734 -926 107 -988 348 315 -441 271 302 600 -1013 -74 270 34 -208 -475 996 -510 1188 -672 884 -711 406 116 1210 -471 -556 -62 -322 1389 442 1463 -504 532 574 -178 244 -350 1146 90 1289 316 1198 -114 692 -1482 -698 -128 -635 -60 282 1025 149 662 -659 -54 -1020 -343 137 -2642 -1198 -1824 358 -642 541 -490 116 -224 638 864 227 1304 -880 1114 707 1434 -366 294 -45 555 268 -222 -9 -1363 -1664 -53 -47 -774 132 513 222 -306 878 185 387 367 874 -1422 -1107 -1090 197 -682 713 -1023 448 1753 1577 1468 317 265 -656 66 -577 -259 -282 888 -994 144 -504 -542 688 SS 20231003T065730.9Z 8676.289940 267 1 19.11 2 78.03 113.44 58.41 266.48 0.00 1 0.00 1 0 17 2.626e-01 1.214e-02 2.781e-01 1.089e-02 5.113390e-01 5.833270e-03 6.585613e-03 -6.000000e+00 1.560359e-01 226.07 -2.00 3.88 -2.00 320.40 0.00e+00 5.558274e-04 1.834177e-03 3.872189e-04 -6.000000e+00 6.348541e-03 277.08 -2.00 20.00 -2.00 320.10 0.00e+00 4.674 0.002 302.00 328.00 3 4.0429e+00 1.6697e-02 5.4855e-02 -6.0000e+00 3.8885e-01 1.1484e-01 2.0324e-02 2.9919e-02 -6.0000e+00 4.2256e-01 -7.3635e-02 2.0362e-02 1.5905e-02 -6.0000e+00 2.4887e-01 1.7285e-02 1.0712e-02 5.0634e-03 -6.0000e+00 1.0471e-01 5.1870e-05 -1.6603e-03 3.4807e-04 6.5847e-05 -6.0000e+00 7.8827e-03 -3.0744e-02 1.3330e-05 12 9 9 12 9 1 99.79 22.76 0.42 -0.03074 -0.04322 6 4 1 5 0 2728.978 25.79 20.00 22.76 26.43 34.5 1020.27 17471 900000 39286 74074 -35502 -53962 -47165 -73518 23957 207453 34442 -83994 -29634 14030 25245 -32905 40235 28629 15903 7237 -31092 56966 10275 -14375 -16775 47243 54914 8233 -38569 -44606 4 32271 4508 -5123 11806 32424 5551 -8907 -1678 3952 2014 7567 -3703 4723 -1467 -2591 -671 6240 -7596 -2461 4052 381 4469 2538 6931 -846 342 2897 6204 -5640 1728 3725 2466 645 1897 -1131 2657 -3854 -4121 601 -1646 -422 6463 -1696 1300 -816 -1692 -555 568 -2928 -757 -1429 -1537 1585 -357 -320 -1630 -1689 -623 299 -541 2108 667 60 1631 2297 -104 1344 845 -1117 1948 -687 -19 1620 -2445 -758 -1867 -1324 363 742 131 209 -805 211 140 299 527 -1003 1343 -1154 -807 -430 376 556 586 -186 410 1828 -266 1090 376 418 -585 -762 136 -225 -28 571 120 -534 -330 -547 684 186 900000 417 787 -469 -817 -703 -1553 254 2203 366 -2702 -675 259 504 -1287 905 775 516 267 -1683 1412 399 -745 -958 1601 1776 400 -2804 -3489 0 1556 315 -421 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