File name: Pandora21s1_Bremen_20230109_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T132322.7Z 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_20230109_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: 20230109 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 20230109T095148.3Z 8409.410976 360 1 38.38 2 78.26 156.44 93.37 310.82 0.00 1 0.00 1 0 25 5.522e-01 1.452e-02 2.632e-01 8.225e-03 7.127192e-01 4.575892e-03 7.526838e-03 -6.000000e+00 3.318898e-01 221.12 -2.00 3.88 -2.00 321.02 0.00e+00 3.789287e-03 1.741730e-03 9.823362e-04 -6.000000e+00 1.399893e-02 266.10 -2.00 20.00 -2.00 320.77 0.00e+00 4.762 0.002 302.00 328.00 3 3.4391e+00 1.3622e-02 6.0396e-02 -6.0000e+00 8.1894e-01 2.5689e-01 1.8493e-02 3.8539e-02 -6.0000e+00 8.9142e-01 -1.8848e-01 2.1113e-02 2.2736e-02 -6.0000e+00 5.2064e-01 6.6898e-02 1.0651e-02 8.2697e-03 -6.0000e+00 2.2633e-01 6.5290e-05 1.3030e-02 2.5059e-04 8.9779e-05 -6.0000e+00 1.7284e-02 -5.5532e-02 2.8732e-03 12 9 9 12 1 1 99.98 22.22 0.16 -0.05553 0.04238 31 8 1 5 0 1193.861 25.28 19.99 22.22 13.77 30.7 994.90 900000 900000 -236319 900000 -160838 900000 -131365 900000 900000 -98125 -144751 -153278 324182 -141417 900000 -70462 -78917 98499 -21766 -25416 29206 -8736 -83779 149169 -11317 137371 -71456 -3960 154064 -12221 39149 13200 62322 -23868 59179 -32732 23057 -13730 17757 -205 15456 27726 -8663 16944 -3227 12688 8818 16124 13568 -279 5691 -2829 12815 1184 14406 -4031 8183 4293 13805 4359 3737 4288 3809 1510 4096 10149 736 4600 3969 4327 1917 -1688 2926 -1490 2787 -632 3676 -3854 546 -4349 -1875 -2875 -5054 -1315 -1332 -174 -728 1195 1025 1351 1614 1166 -699 -471 1505 -1803 490 -1504 611 -1414 510 215 -134 371 -2811 -475 -2237 440 -1278 -172 -446 -7 -483 85 -233 158 19 -77 788 -1096 287 675 54 258 825 293 514 2129 226 852 171 1106 30 707 412 -229 333 -475 -77 -1138 156 -412 -338 900000 900000 -6441 900000 -2339 900000 -1458 900000 900000 -1072 -2484 -3087 2597 -3807 900000 -1579 -2186 789 -453 -577 437 -181 -3302 1195 -274 1100 -3129 -98 1234 -338 793 390 1417 -1238 1557 -1852 837 -763 884 -14 1055 1857 -850 1375 -320 1113 822 1454 1314 -33 685 -409 1772 198 2286 -796 1490 818 2368 798 691 838 834 381 1100 2646 208 1277 1184 1442 727 -707 1186 -608 1013 -216 1108 -1224 179 -1715 -848 -1508 -3017 -815 -875 -120 -529 883 765 983 1115 759 -443 -299 1011 -1421 436 -1556 685 -1681 580 226 -129 338 -2707 -473 -2379 484 -1544 -228 -655 -12 -788 137 -362 234 28 -114 1215 -1783 465 1060 82 378 1162 400 680 2797 327 1373 307 2112 60 1502 928 -544 810 -1182 -192 -2787 359 -901 -706 SS 20230109T105512.0Z 8409.455000 395 1 6.25 2 75.60 171.26 99.76 323.73 0.00 1 0.00 1 0 17 3.803e-01 1.745e-02 2.780e-01 1.547e-02 5.830563e-01 8.138173e-03 7.451958e-03 -6.000000e+00 2.234070e-01 221.12 -2.00 3.88 -2.00 320.02 0.00e+00 9.719009e-04 2.406384e-03 4.132297e-04 -6.000000e+00 9.277346e-03 266.10 -2.00 20.00 -2.00 319.75 0.00e+00 3.939 0.001 302.00 328.00 3 4.2683e+00 2.2642e-02 5.0629e-02 -6.0000e+00 5.5141e-01 1.6398e-01 2.7357e-02 3.2632e-02 -6.0000e+00 6.0190e-01 -9.6005e-02 2.6699e-02 1.7454e-02 -6.0000e+00 3.5395e-01 3.2957e-02 1.4215e-02 5.5843e-03 -6.0000e+00 1.5093e-01 7.2839e-05 -2.1153e-04 4.6117e-04 6.9353e-05 -6.0000e+00 1.1644e-02 -3.1210e-02 6.0669e-05 12 9 9 12 1 1 999.00 22.22 0.31 -0.03121 -0.03280 1 3 1 5 0 3033.205 25.28 20.00 22.22 14.61 30.7 998.85 900000 -54167 900000 -59457 -43840 112782 -116914 900000 -134883 -116076 310260 -82551 11697 18789 -23041 -10488 -14006 -20276 -9319 -11274 -43414 -884 52807 -7860 18132 73901 25699 43547 -19013 14853 3721 -25400 14698 20210 2316 -17221 56301 24861 -16081 -2916 2541 -648 -4995 -8666 9059 23140 2411 -2763 -3160 11846 535 8930 3916 250 4692 2682 -1668 2916 10578 -3256 4563 -190 -2166 2218 239 -930 659 3429 6146 6234 -952 3587 206 4760 -1275 -6315 -5465 -1783 -577 -4938 -3272 -4261 1140 -2461 -4309 -1169 -714 -485 -487 2084 2093 512 -3655 648 204 1919 2450 -690 126 -2229 1423 -488 2165 -519 -63 -1030 935 428 1206 26 -272 283 898 -805 -190 609 70 -893 209 -703 -34 1689 -426 -1816 2045 -599 51 528 802 327 249 -970 -1200 821 286 40 -278 251 597 -328 313 -343 -645 900000 -817 900000 -971 -661 1701 -3088 900000 -5218 -4118 4679 -2524 182 335 -722 -344 -531 -888 -396 -512 -2725 -38 1450 -399 785 2049 1122 1595 -1208 716 222 -2284 1038 1462 197 -1740 3070 2074 -2340 -444 416 -118 -994 -1834 1647 3744 480 -587 -696 2389 129 2192 1097 78 1486 901 -599 1011 3365 -1153 1524 -71 -901 975 113 -445 305 1555 2890 3248 -577 2202 131 2819 -745 -3547 -2828 -874 -296 -2954 -2194 -3215 894 -2105 -3929 -1093 -694 -484 -488 2007 1928 451 -3184 542 181 1849 2616 -832 162 -2987 1807 -588 2391 -570 -71 -1229 1143 549 1625 38 -425 462 1479 -1320 -299 916 104 -1357 325 -1141 -56 2690 -671 -2817 2996 -869 71 738 1178 521 424 -1747 -2239 1563 569 82 -590 536 1275 -697 642 -680 -1241