File name: Pandora21s1_Bremen_20221030_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T125335.7Z 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_20221030_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: 20221030 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 20221030T071800.1Z 8338.304168 78 1 50.06 2 83.01 124.29 133.22 79.65 0.00 1 0.00 1 0 25 4.971e-01 2.461e-02 4.185e-01 2.144e-02 7.516721e-01 1.238735e-02 9.296121e-03 -6.000000e+00 2.986906e-01 222.54 -2.00 3.88 -2.00 321.69 0.00e+00 6.869839e-03 5.087390e-03 9.847985e-04 -6.000000e+00 1.341728e-02 273.19 -2.00 20.00 -2.00 321.36 0.00e+00 7.543 0.010 302.00 328.00 3 1.9869e+00 3.8723e-02 8.6512e-02 -6.0000e+00 7.3943e-01 7.0631e-01 5.1161e-02 4.4478e-02 -6.0000e+00 8.0874e-01 -7.0595e-01 5.4782e-02 2.4882e-02 -6.0000e+00 4.7270e-01 2.6589e-01 2.7529e-02 8.5500e-03 -6.0000e+00 1.9656e-01 1.8770e-05 -1.8273e-03 6.8824e-04 1.2802e-04 -6.0000e+00 1.5316e-02 -2.2763e-02 1.1171e-04 12 8 8 10 0 0 83.83 22.14 0.63 -0.02276 -0.03649 29 6 1 5 0 1725.842 25.28 20.00 22.14 21.66 30.7 1008.12 -190819 -95640 -62829 900000 -166226 900000 900000 -157096 900000 -94141 -107872 -157664 900000 -76197 -63890 900000 65002 133783 900000 75556 141585 -28211 -92849 -40421 900000 3824 900000 7104 130992 47701 -50863 -46696 29143 -12303 29106 81911 138112 23936 26484 71488 116956 35307 -26999 9100 -31870 84238 24122 23163 49064 56204 16535 36679 34989 4717 40186 17154 10597 16087 21676 7395 -16446 1572 4721 32597 7892 1449 17100 1624 21691 12550 -1618 4132 2772 3618 9302 6597 10841 -9853 14033 -2035 -190 -1350 -10422 -5772 -3788 183 789 2872 3346 7400 -2502 -4167 -863 -6126 -2808 -4562 2483 -530 -943 -2893 -680 -899 -1386 -2677 -2222 -5547 -1256 54 -139 -2890 -952 1272 2217 2429 1163 -884 -2772 -292 587 364 914 465 -714 2955 704 1884 -203 -574 441 2109 181 1250 443 1260 1080 -761 -793 -1249 129 -755 94 -103 -221 -6132 -1996 -1311 900000 -4688 900000 900000 -3960 900000 -1965 -2251 -5049 900000 -1782 -1671 900000 1356 2792 900000 1577 2955 -848 -5051 -1398 900000 93 900000 164 2734 995 -2467 -2595 926 -618 988 1709 2882 967 1222 2526 3021 2082 -2935 731 -3762 3500 1779 1775 3114 3553 1630 3319 3508 670 4353 2369 1581 2271 2829 1072 -2993 259 845 5066 1663 330 3355 375 4483 3158 -511 1305 887 1097 2468 1629 2386 -2614 3251 -636 -69 -565 -5282 -3007 -2051 101 455 1680 1962 4079 -1441 -2294 -443 -3354 -1631 -3101 1837 -465 -923 -3010 -674 -820 -1155 -2160 -1843 -5036 -1156 52 -147 -3522 -1277 1819 3266 3555 1666 -1245 -3927 -415 868 563 1419 705 -1053 4075 961 2466 -264 -759 632 3382 330 2462 935 2804 2565 -1947 -2098 -3380 346 -2000 235 -243 -495 SS 20221030T073021.4Z 8338.312747 81 1 50.13 2 81.50 126.91 131.48 82.26 0.00 1 0.00 1 0 25 4.168e-01 1.128e-02 2.730e-01 6.112e-03 6.589483e-01 3.401874e-03 8.128220e-03 -6.000000e+00 2.460502e-01 222.54 -2.00 3.88 -2.00 321.45 0.00e+00 5.546567e-03 1.381423e-03 8.358333e-04 -6.000000e+00 1.081481e-02 273.19 -2.00 20.00 -2.00 321.12 0.00e+00 6.377 0.006 302.00 328.00 3 1.5505e+00 1.0541e-02 7.3649e-02 -6.0000e+00 6.1054e-01 1.7857e-01 1.4777e-02 3.9400e-02 -6.0000e+00 6.6589e-01 -1.7981e-01 1.7305e-02 2.2652e-02 -6.0000e+00 3.9029e-01 6.6384e-02 8.5717e-03 7.8693e-03 -6.0000e+00 1.6376e-01 1.1025e-04 -1.0443e-03 1.9789e-04 1.0678e-04 -6.0000e+00 1.2678e-02 -2.2930e-02 1.1257e-04 12 8 8 10 0 0 18.74 22.14 0.26 -0.02293 -0.03078 94 18 1 5 0 533.205 25.28 20.00 22.14 22.22 30.8 1011.43 -67979 -128117 -127417 52256 -210005 -38162 -211621 900000 -120126 900000 -155825 900000 -49017 -50852 50841 -65520 65270 -90348 68528 -24162 -10519 -42558 71481 23650 -28546 15706 -6014 46522 -81047 5044 -30214 64937 51880 37232 14103 -11299 44746 -6868 30555 -1698 6333 -4130 13605 3231 -3109 24077 -7050 6743 -5908 11161 -4216 18379 3994 10415 14930 6640 7194 -357 8544 -4008 8057 -4898 7047 -94 6011 10004 3014 3736 -4120 3148 1702 2722 -1865 3090 -510 2427 -75 1403 866 -4122 118 -2523 -903 -3819 -2018 -1200 -1410 276 -174 2558 -1426 964 -2319 1059 -609 191 1283 -230 504 -1328 1457 -810 256 113 -217 -807 -1045 -518 -1187 -90 -406 12 -694 552 -613 235 1280 763 116 -430 326 227 417 -425 743 -166 408 1169 217 496 258 402 -396 614 -517 37 42 -16 -273 -570 -169 -137 480 -405 -1119 -1215 311 -4066 -227 -4176 900000 -1240 900000 -2495 900000 -409 -566 303 -1244 444 -2691 517 -459 -180 -1014 596 338 -691 274 -125 610 -3380 101 -953 1083 1082 984 473 -455 1166 -327 1210 -105 411 -325 955 262 -276 1673 -654 598 -593 1068 -490 1908 530 1411 2065 1043 1157 -62 1339 -703 1281 -961 1388 -21 1386 2247 718 903 -1165 938 573 964 -697 1056 -167 701 -20 375 253 -1477 48 -1208 -474 -2224 -1230 -774 -963 192 -123 1724 -949 587 -1392 618 -394 141 1084 -227 522 -1455 1501 -823 234 100 -200 -799 -1098 -578 -1380 -116 -581 18 -1107 858 -922 335 1779 1096 177 -691 527 359 635 -630 1052 -229 570 1635 317 818 475 801 -841 1367 -1242 94 106 -42 -705 -1449 -429 -326 1086 SS 20221030T074921.8Z 8338.325947 87 1 50.06 2 79.29 131.01 128.79 86.12 0.00 1 0.00 1 0 25 2.153e-01 5.417e-03 1.270e-01 2.200e-03 5.517849e-01 1.179034e-03 6.965446e-03 -6.000000e+00 1.261368e-01 222.53 -2.00 3.88 -2.00 320.83 0.00e+00 2.607785e-03 4.181994e-04 5.305135e-04 -6.000000e+00 5.160431e-03 273.19 -2.00 20.00 -2.00 320.52 0.00e+00 5.178 0.003 302.00 328.00 3 1.2718e+00 3.4530e-03 5.9979e-02 -6.0000e+00 3.1189e-01 5.6244e-02 4.4324e-03 3.2136e-02 -6.0000e+00 3.3979e-01 -4.0954e-02 4.8522e-03 1.7726e-02 -6.0000e+00 2.0053e-01 7.3098e-03 2.5010e-03 5.9013e-03 -6.0000e+00 8.4405e-02 5.1316e-04 -4.2544e-04 7.1012e-05 7.7429e-05 -6.0000e+00 6.4498e-03 -2.3577e-02 1.1842e-04 10 0 0 10 0 0 1.55 22.13 0.28 -0.02358 -0.02677 244 48 1 5 0 205.121 25.28 19.99 22.13 23.24 31.2 1016.67 -96421 -34006 1264 -74819 124206 -84959 35113 -91868 44801 -55008 -7301 -31966 -35169 -23793 -45456 25098 -25101 14862 -28553 15060 -6730 18856 -2289 -8015 6250 -11365 18526 -19653 16336 -5908 9690 1230 2626 -1815 -2535 8420 -9757 7468 -99 822 -4093 294 -1698 -1488 2012 -2505 515 -1544 2095 -1965 5026 -270 4469 1082 4 646 -46 1519 -1816 2943 500 2858 533 2332 710 1051 2079 -548 1696 5 1331 -744 305 -1353 458 -347 -676 -82 -1277 80 -1722 -273 -1823 -781 -1389 -707 -186 -55 755 -134 1381 576 931 1139 897 373 706 780 -353 -39 -689 -98 -206 711 -1072 -729 -740 -275 1 -249 99 -486 203 -300 379 206 797 274 -172 -231 -633 268 -347 223 -7 24 577 866 668 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