File name: Pandora21s1_Bremen_20221028_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T125237.4Z 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_20221028_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: 20221028 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 20221028T071807.6Z 8336.304254 76 1 49.31 2 82.44 123.95 113.57 101.55 0.00 1 0.00 1 0 25 5.135e-01 2.196e-02 3.787e-01 1.645e-02 7.179497e-01 9.325237e-03 8.861636e-03 -6.000000e+00 3.033228e-01 222.77 -2.00 3.88 -2.00 321.62 0.00e+00 2.715231e-03 3.773416e-03 9.224195e-04 -6.000000e+00 1.321170e-02 273.48 -2.00 20.00 -2.00 321.29 0.00e+00 7.059 0.008 302.00 328.00 3 2.1808e+00 2.9183e-02 8.1300e-02 -6.0000e+00 7.5338e-01 5.5589e-01 3.8028e-02 4.2339e-02 -6.0000e+00 8.2290e-01 -6.4115e-01 4.0087e-02 2.3591e-02 -6.0000e+00 4.8309e-01 2.5916e-01 2.0185e-02 8.0866e-03 -6.0000e+00 2.0368e-01 2.7094e-05 -1.3973e-03 5.3131e-04 1.2137e-04 -6.0000e+00 1.5640e-02 -2.2604e-02 1.3778e-04 12 8 8 10 0 0 99.24 22.13 0.36 -0.02260 -0.03310 28 5 1 5 0 1760.767 25.28 20.00 22.13 21.68 30.6 1013.41 900000 -159729 -51941 -155203 -78982 -135998 167330 -173545 900000 -56919 900000 -109144 -95010 -47103 -106060 900000 -83252 -264 187527 900000 -36006 39160 69070 -31737 -51942 -17261 26090 -50101 21282 -51011 129583 23507 87243 138023 96984 105537 498 96286 12985 144744 8527 35309 30078 31313 48881 8674 21489 -11641 38529 -14368 52983 -16390 10737 8003 22175 47322 11224 12724 2575 17777 -5464 30985 6455 16177 18821 7386 20364 3667 18613 2221 15871 4275 584 -1615 -2403 710 2737 -11031 -1908 5321 -5177 1805 141 -3075 -4500 259 -3602 -1614 1738 -1479 -4555 -655 3728 844 -2910 -4764 -1646 111 -1548 1498 -974 2367 -2595 224 -4216 -3067 -893 -1595 44 -90 746 -1823 -1499 396 -266 1106 758 482 -403 769 334 1684 226 786 1456 1112 139 583 2156 2128 820 154 -333 193 518 -799 -1145 796 -223 57 -884 1033 -1512 900000 -4915 -832 -4681 -1266 -2991 2682 -5841 900000 -912 900000 -2672 -2435 -968 -4505 900000 -3762 -6 3006 900000 -1267 690 1107 -1122 -2322 -587 603 -2233 491 -2341 2077 734 1743 2212 1887 1855 23 2175 726 2893 645 2253 2095 2202 2955 758 1701 -1270 2793 -1775 3874 -2470 1380 1136 2928 5171 1744 1949 422 2469 -946 4095 1188 3037 3710 1642 3982 855 4066 635 4404 1399 198 -537 -744 194 680 -3091 -533 1606 -2022 757 67 -1617 -2547 149 -2260 -1028 1081 -927 -2796 -365 1913 451 -1760 -3363 -1308 99 -1564 1531 -990 2146 -2253 182 -3709 -2836 -855 -1640 49 -111 1020 -2770 -2352 607 -396 1561 1060 695 -615 1211 534 2597 340 1142 2034 1510 186 783 3110 3471 1510 309 -712 436 1237 -2045 -3043 2114 -601 149 -2236 2415 -3450 SS 20221028T072928.9Z 8336.312140 79 1 50.04 2 81.05 126.36 112.00 103.60 0.00 1 0.00 1 0 25 3.863e-01 6.893e-03 2.413e-01 4.458e-03 6.541055e-01 2.459726e-03 8.061918e-03 -6.000000e+00 2.275268e-01 222.77 -2.00 3.88 -2.00 321.35 0.00e+00 3.681487e-03 9.855172e-04 8.114811e-04 -6.000000e+00 9.557276e-03 273.48 -2.00 20.00 -2.00 321.04 0.00e+00 6.090 0.005 302.00 328.00 3 1.3997e+00 7.5656e-03 7.1061e-02 -6.0000e+00 5.6236e-01 1.2376e-01 1.0677e-02 3.9066e-02 -6.0000e+00 6.1281e-01 -8.9542e-02 1.2710e-02 2.2474e-02 -6.0000e+00 3.6089e-01 2.5444e-02 6.3162e-03 7.7884e-03 -6.0000e+00 1.5210e-01 1.6881e-04 -6.8843e-04 1.4282e-04 1.0609e-04 -6.0000e+00 1.1701e-02 -2.3309e-02 1.2038e-04 11 8 0 10 0 0 37.05 22.12 0.24 -0.02331 -0.02848 117 23 1 5 0 427.629 25.28 20.00 22.12 21.90 30.8 1015.97 -147248 70773 -153068 900000 186288 900000 -132344 -69590 -123407 -146410 91661 -100080 104715 -90794 12241 -48111 34027 -19442 -987 20921 -45884 -17610 -55627 -956 -27438 63966 -16964 -4283 9323 -31790 -9524 1401 26110 -4820 6843 3865 25628 -5463 11709 4858 -5962 6258 -11711 3321 -9597 6167 514 7029 1105 -816 -3057 623 5165 -177 5215 -3426 2981 -1799 6266 2221 545 2354 1396 2281 958 5739 1072 930 635 1398 1722 423 172 910 1211 -2577 1094 -241 925 -600 1618 -2234 -1316 -813 -1324 -584 -1682 240 -139 1018 109 855 832 673 1116 -775 1316 116 141 -295 86 -947 -163 223 -1675 -608 -1588 -70 -455 283 -320 47 -302 -44 638 401 962 -112 339 -801 -81 -312 201 115 -392 941 117 1318 -83 326 336 386 -147 185 -51 -210 1 -107 -288 -353 162 -53 216 -1083 308 -1586 900000 810 900000 -1106 -378 -1196 -1958 398 -1037 455 -1396 86 -756 273 -299 -14 252 -1040 -306 -1468 -17 -639 684 -390 -86 178 -908 -254 40 689 -177 242 140 803 -255 560 298 -439 447 -1066 271 -912 514 47 622 109 -88 -373 77 679 -27 801 -603 508 -324 1025 373 95 437 296 540 248 1435 278 247 183 454 621 164 68 341 419 -841 318 -70 290 -222 690 -1140 -741 -463 -809 -378 -1163 169 -99 700 72 554 515 420 754 -577 1113 114 153 -334 93 -956 -149 196 -1563 -598 -1666 -77 -547 376 -475 76 -497 -72 979 589 1384 -167 531 -1328 -135 -510 314 174 -577 1317 160 1796 -124 550 630 741 -300 400 -117 -514 2 -276 -752 -904 394 -122 472 SS 20221028T074428.9Z 8336.322556 85 1 49.96 2 79.28 129.60 109.95 106.30 0.00 1 0.00 1 0 25 1.468e-01 3.797e-03 8.440e-02 1.818e-03 5.707941e-01 9.774431e-04 7.195057e-03 -6.000000e+00 8.606116e-02 222.77 -2.00 3.88 -2.00 320.85 0.00e+00 1.287731e-03 3.504330e-04 5.641255e-04 -6.000000e+00 3.517767e-03 273.48 -2.00 20.00 -2.00 320.54 0.00e+00 5.174 0.003 302.00 328.00 3 9.2688e-01 2.8888e-03 6.0605e-02 -6.0000e+00 2.1290e-01 5.9508e-02 3.7517e-03 3.3379e-02 -6.0000e+00 2.3191e-01 -2.8148e-02 4.1634e-03 1.8518e-02 -6.0000e+00 1.3684e-01 -4.4877e-04 2.1350e-03 6.1961e-03 -6.0000e+00 5.7572e-02 7.0799e-04 -4.1936e-04 5.8247e-05 8.1945e-05 -6.0000e+00 4.3969e-03 -2.3685e-02 1.1858e-04 10 0 0 10 0 0 11.65 22.12 0.25 -0.02368 -0.02684 322 63 1 5 0 155.125 25.28 20.00 22.12 23.06 31.3 1022.05 -70510 2844 -60070 -65691 14241 -17787 -50982 -54322 -55165 -57872 -49334 -17512 -11717 -4543 7092 9391 2800 -5632 -11061 -18201 -7086 -6264 -2808 -10203 -7154 -1102 2490 -3675 -3580 -5393 -2062 -2082 -334 -2277 -116 3438 -635 1420 2116 -886 -794 -746 -2813 -766 -632 -342 1438 649 1272 1432 1377 726 -536 509 1373 415 315 -312 437 301 1059 -12 1077 1224 3 910 742 1220 1097 654 71 -14 -151 148 568 132 108 219 -142 -109 -466 -998 -1480 -1560 -693 -647 -344 -64 384 453 772 909 932 364 406 168 873 397 -176 -303 -25 -202 46 20 -595 -765 -548 -420 58 61 -134 -187 33 -107 209 404 606 414 210 -551 -415 -116 -195 -225 -22 52 506 872 521 182 84 -50 2 94 -4 -133 69 64 -281 -170 -50 -70 238 -500 13 -494 -572 58 -98 -416 -473 -551 -653 -549 -158 -121 -55 95 147 53 -118 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