File name: Pandora21s1_Bremen_20231112_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20231112T233119.0Z 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 v1.8.49 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v1d20201116.txt Level 1 file used: Pandora21s1_Bremen_20231112_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: 20231112 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 20231112T100817.8Z 8716.422428 170 1 49.61 2 71.96 164.82 69.39 176.63 0.00 1 0.00 1 0 41 5.062e-01 3.031e-02 2.076e-01 1.967e-02 4.323915e-01 1.036034e-02 6.242756e-04 -6.000000e+00 3.086899e-01 221.02 -2.00 3.88 -2.00 318.93 0.00e+00 4.051516e-03 2.634624e-03 2.886246e-04 -6.000000e+00 1.271244e-02 271.27 -2.00 20.00 -2.00 318.79 0.00e+00 3.187 0.001 302.00 328.00 3 6.2312e+00 2.8251e-02 3.1514e-02 -6.0000e+00 7.6407e-01 2.2292e-01 3.2820e-02 4.9562e-03 -6.0000e+00 8.2096e-01 -4.6463e-02 2.7246e-02 1.3319e-03 -6.0000e+00 4.8241e-01 8.3302e-03 1.4629e-02 2.7601e-05 -6.0000e+00 2.2440e-01 2.4321e-05 7.3591e-02 6.3783e-04 6.8313e-06 -6.0000e+00 1.5346e-02 -1.2574e-01 1.5908e-02 12 12 8 10 0 0 99.89 22.12 1.00 -0.12574 0.42725 17 3 1 5 0 2917.666 25.28 20.00 22.12 14.84 33.9 1008.73 900000 900000 900000 900000 900000 900000 -97298 900000 -77992 420309 -13128 58619 -41431 9168 900000 -66264 312566 359 72756 -23922 30297 2673 55680 20172 -27019 27383 -24397 -910 26674 64468 1310 69751 -12893 192 7562 13998 45190 -14839 19235 -16305 -6710 2843 1174 -4827 20350 -5370 -10428 12718 6302 12089 2891 15453 4299 4809 -5374 -3545 624 -8849 15013 5887 13085 -3031 2116 -4904 -4165 2394 6729 1163 -616 1353 -9421 3948 -310 8797 4558 9181 6166 -6341 7948 -12483 -4124 -4775 -3289 -4466 2585 -2289 -1427 1183 748 894 2054 4031 -2427 3623 -4282 -906 -1537 271 -502 -1574 556 77 2791 -1076 -89 -1458 2767 -93 803 2153 -2021 2867 -3377 1513 -2180 -93 -1891 -498 850 -1839 732 -1204 1952 -2900 1314 -2031 -446 2800 1379 1843 52 2109 372 2196 874 1410 1296 1051 -126 -3263 -1349 -2419 859 900000 900000 900000 900000 900000 900000 -5886 900000 -4060 8052 -460 1157 -2004 314 900000 -6156 5988 24 2835 -2313 1905 221 2930 1454 -3053 1998 -2955 -91 2071 3497 124 3829 -1649 24 966 1694 4021 -2347 2491 -3446 -1517 660 298 -1361 4655 -1588 -3276 3229 1710 3138 840 4219 1411 1691 -2211 -1498 261 -4117 5548 2332 4794 -1330 948 -2585 -2363 1313 3431 598 -322 741 -6370 2559 -218 5624 2897 5164 3234 -3475 3756 -7729 -2681 -3540 -2662 -3925 2241 -2211 -1449 1225 794 937 2038 3646 -2163 2898 -3767 -841 -1611 314 -642 -2116 714 92 2992 -1155 -98 -1729 3312 -120 1091 3104 -3267 4643 -5827 2401 -3361 -133 -2664 -707 1251 -2922 1161 -1923 2930 -4405 1835 -2801 -582 3540 1883 2731 85 3501 648 3925 1665 2805 2652 2190 -265 -6909 -2683 -4640 1556 SS 20231112T101847.7Z 8716.429719 177 1 50.46 2 71.58 167.43 69.37 179.27 0.00 1 0.00 1 0 25 4.250e-01 2.143e-02 2.139e-01 1.149e-02 4.334099e-01 5.971756e-03 5.960729e-03 -6.000000e+00 2.477920e-01 221.02 -2.00 3.88 -2.00 319.78 0.00e+00 1.253700e-03 1.569856e-03 2.109118e-04 -6.000000e+00 1.027311e-02 271.27 -2.00 20.00 -2.00 319.48 0.00e+00 3.126 0.001 302.00 328.00 3 5.5016e+00 1.6439e-02 3.9416e-02 -6.0000e+00 6.1029e-01 9.3447e-02 1.9127e-02 2.4664e-02 -6.0000e+00 6.6696e-01 -1.7579e-02 1.6417e-02 1.2797e-02 -6.0000e+00 3.9281e-01 8.0876e-03 8.8186e-03 3.9031e-03 -6.0000e+00 1.6479e-01 5.5041e-05 -7.1772e-03 3.6636e-04 5.5971e-05 -6.0000e+00 1.2764e-02 -2.6821e-02 -1.3090e-03 12 8 8 10 0 0 99.98 22.12 0.27 -0.02682 -0.08075 58 11 1 5 0 869.820 25.28 20.00 22.12 15.34 33.8 1010.39 123037 100686 -1950 371217 1686 900000 -168739 29301 56470 102743 75826 -23470 108589 16817 52869 2412 65839 -15188 12527 6614 21805 38339 16334 40434 9838 38537 37240 20772 -2690 16429 21483 22644 22008 -11947 27637 4228 27900 -2700 20587 -8015 6454 2439 898 -308 2908 755 194 2030 -442 8000 3481 8647 -3682 -1608 2526 -4757 3232 -4212 5301 -4402 -525 -1380 1322 2259 -2159 -530 248 5477 -679 5257 -565 553 -451 -570 -2541 -2326 5725 549 1421 -2540 1820 -2125 -842 104 -1469 -2571 -846 879 -2925 -862 429 2897 -1915 1252 2629 -836 1638 215 1680 -1938 1141 -1089 906 359 -470 -1060 -3092 536 -1209 268 459 404 -340 637 -415 -169 522 377 34 -1253 1421 -1149 1610 1447 306 363 29 1094 -728 2242 -297 746 105 893 -961 -602 -366 406 -594 -747 261 -926 921 1378 1171 -53 4158 42 900000 -16884 644 1096 1468 1386 -998 1833 680 1851 142 2518 -1196 825 475 1416 2190 1145 2442 813 2613 2582 1618 -249 1306 1760 2041 2191 -1686 2734 505 2868 -412 3008 -1761 1386 581 226 -80 743 199 51 531 -120 2064 992 2542 -1307 -597 946 -1973 1273 -1788 2030 -1823 -213 -601 614 1129 -1175 -279 124 2571 -354 2880 -360 369 -308 -378 -1611 -1348 2816 272 723 -1495 1169 -1587 -678 88 -1339 -2519 -861 913 -3181 -900 419 2573 -1663 1025 2212 -800 1717 255 2134 -2617 1447 -1307 989 385 -530 -1278 -3990 702 -1707 401 738 683 -582 1045 -648 -248 740 544 52 -2027 2306 -1900 2525 2202 453 514 40 1453 -1031 3352 -491 1287 189 1653 -1899 -1250 -784 883 -1315 -1638 548 -1879 1765 SS 20231112T102353.5Z 8716.433258 180 1 50.25 2 71.43 168.70 69.39 180.55 0.00 1 0.00 1 0 25 3.194e-02 5.327e-03 2.987e-02 2.083e-03 4.299977e-01 1.075958e-03 5.691399e-03 -6.000000e+00 1.862659e-02 221.02 -2.00 3.88 -2.00 319.65 0.00e+00 4.389785e-04 2.781108e-04 2.363525e-04 -6.000000e+00 7.659562e-04 271.27 -2.00 20.00 -2.00 319.36 0.00e+00 3.101 0.001 302.00 328.00 3 3.3401e+00 2.9464e-03 3.8920e-02 -6.0000e+00 4.5908e-02 4.0643e-02 3.4348e-03 2.4125e-02 -6.0000e+00 5.0046e-02 1.0647e-02 2.9955e-03 1.2686e-02 -6.0000e+00 2.9565e-02 -1.4580e-02 1.6161e-03 3.9753e-03 -6.0000e+00 1.2501e-02 5.0963e-04 -8.7823e-04 6.5853e-05 5.0727e-05 -6.0000e+00 9.5648e-04 -3.5158e-02 -1.0767e-05 10 0 0 10 0 0 99.97 22.12 0.13 -0.03516 -0.04176 167 33 1 5 0 300.832 25.28 20.00 22.12 15.45 33.7 1010.62 -7438 -3273 -9279 14563 -9807 -16688 -3583 -12310 3191 -7536 4710 323 -2649 -11324 1472 2254 -788 -5264 13 -2677 -115 7230 1931 2760 -1906 -1531 -2235 -2336 2517 2888 2750 -1939 4003 -1888 -643 -4225 -1999 -2212 -382 -2183 -2415 -570 -1790 -1280 -670 -183 -758 -636 -489 1357 974 364 745 446 1466 54 798 -314 335 859 1835 1323 1197 684 181 218 959 968 886 416 -172 -500 -190 -597 44 -99 1093 -168 1750 190 -663 -911 -1594 -1198 -775 -555 -647 -342 159 206 498 787 1245 1146 1433 740 1072 649 -564 -619 -370 -378 190 327 -657 -675 -713 -409 -225 198 -294 -247 -110 82 54 660 889 502 159 -740 -771 -418 -331 -257 211 184 699 1274 623 429 107 127 137 328 75 -105 -41 77 -291 -243 -209 -133 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