File name: Pandora21s1_Bremen_20210902_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T085255.6Z 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_20210902_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: 20210902 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 20210902T063448.6Z 7915.274174 271 1 4.30 2 73.24 99.48 29.95 151.83 0.00 1 0.00 1 0 25 8.536e-02 8.454e-03 7.106e-02 6.462e-03 4.226418e-01 3.392891e-03 5.460400e-03 -6.000000e+00 5.135441e-02 230.36 -2.00 3.88 -2.00 318.93 0.00e+00 1.671516e-04 7.080992e-04 1.869716e-04 -6.000000e+00 2.044334e-03 280.96 -2.00 20.00 -2.00 318.63 0.00e+00 3.413 0.001 302.00 328.00 3 3.4959e+00 9.2429e-03 4.1843e-02 -6.0000e+00 1.2926e-01 2.4874e-02 1.0457e-02 2.4378e-02 -6.0000e+00 1.4019e-01 -1.1096e-02 7.9617e-03 1.2213e-02 -6.0000e+00 8.2247e-02 6.7536e-04 4.2585e-03 3.5711e-03 -6.0000e+00 3.3957e-02 3.3121e-04 8.0928e-05 1.9939e-04 4.1706e-05 -6.0000e+00 2.5641e-03 -4.7067e-03 9.4570e-05 12 9 1 12 1 1 -138.25 22.21 0.22 -0.00471 -0.00410 3 10 1 5 0 1033.176 25.28 20.00 22.21 21.23 26.6 1008.55 -18798 52784 -11053 25597 13036 -45692 13864 -16200 4629 -11363 38602 -2039 -9909 -22264 10312 -7984 -9598 1369 8435 4031 -12936 1397 -3120 -6367 -4828 -2328 -8557 2737 7116 661 2161 826 4567 -7374 -4477 7545 -354 4149 -721 -1761 -3211 -757 -2846 281 -2340 0 -154 -1864 745 1084 1265 936 3169 -1608 2675 271 3960 1675 1349 1807 529 2252 -629 2326 -755 611 1653 799 842 614 604 -181 34 -567 -24 376 150 804 -197 196 -142 -1515 -2371 -770 -1369 -2163 -1555 462 197 833 837 -105 843 116 1595 -729 1293 -432 -673 84 20 -1048 134 276 -393 -849 -1225 -518 190 338 189 -578 -91 -161 226 381 665 -236 573 -205 31 76 -196 -359 244 1396 614 750 290 390 310 128 194 793 207 -175 118 14 -358 -668 -731 -627 418 -573 953 -367 599 321 -1861 354 -604 159 -482 1091 -89 -531 -1571 633 -652 -865 119 730 379 -1463 141 -339 -759 -608 -300 -1178 331 804 80 281 122 714 -1343 -782 1180 -64 832 -178 -508 -1035 -253 -1005 99 -846 0 -55 -679 269 402 496 396 1404 -783 1310 140 2023 875 699 928 281 1248 -384 1478 -503 394 1022 495 550 439 464 -145 28 -449 -18 262 98 510 -131 142 -114 -1340 -2243 -753 -1406 -2339 -1742 523 224 927 894 -107 816 112 1580 -791 1500 -545 -895 112 27 -1299 157 324 -482 -1089 -1630 -710 270 504 295 -931 -146 -251 338 550 948 -345 865 -322 49 120 -305 -548 361 1997 861 1050 424 601 501 213 331 1386 375 -329 226 27 -699 -1295 -1387 -1157 752 SS 20210902T063919.2Z 7915.277306 274 1 13.62 2 72.57 100.42 29.65 153.73 0.00 1 0.00 1 0 17 1.273e-01 8.890e-03 1.114e-01 7.286e-03 4.046667e-01 3.829627e-03 5.226633e-03 -6.000000e+00 7.649050e-02 230.36 -2.00 3.88 -2.00 319.20 0.00e+00 -5.535144e-04 8.570713e-04 1.909413e-04 -6.000000e+00 3.048944e-03 280.96 -2.00 20.00 -2.00 318.89 0.00e+00 3.291 0.001 302.00 328.00 3 4.7072e+00 1.0494e-02 4.0274e-02 -6.0000e+00 1.9251e-01 3.5498e-02 1.1958e-02 2.3429e-02 -6.0000e+00 2.0887e-01 1.1671e-02 9.4818e-03 1.1805e-02 -6.0000e+00 1.2254e-01 -1.2928e-02 5.0770e-03 3.4803e-03 -6.0000e+00 5.0527e-02 1.1227e-04 -7.1141e-04 2.2952e-04 4.1473e-05 -6.0000e+00 3.8246e-03 2.7597e-04 -6.0755e-05 12 9 1 12 9 1 97.72 22.21 0.25 0.00028 -0.00507 3 3 1 5 0 3361.579 25.28 20.00 22.21 21.28 26.7 1009.18 -10065 -1966 2180 13859 15853 19303 123478 -33034 -10328 -28017 28820 -4897 10044 -23318 12074 14432 -20573 3380 -14555 17259 -2843 564 -2573 23095 3836 -3569 5214 -11271 4554 -2548 -1475 6518 3485 -1985 -2576 -598 -5188 -930 -976 -1081 -3119 -1823 -7563 1399 -1231 700 578 -3335 4925 -2409 3794 1600 -951 -42 657 1500 4256 1716 894 2118 -311 -560 703 2394 -150 525 490 998 1123 627 342 -321 1773 -2429 888 2086 -776 -936 -74 -96 -2105 -457 -858 -15 579 -671 -1173 81 760 -372 967 756 239 372 34 -261 -207 95 -93 50 -456 -978 -481 7 -1337 -1089 91 -379 405 377 -76 -874 -828 -232 -166 571 1419 -46 247 -690 -464 185 690 465 251 401 767 1461 747 -359 -204 -282 936 761 76 376 711 -130 -1097 -515 -163 -415 -283 -250 -51 56 312 330 384 1036 -1275 -361 -1235 786 -195 398 -1480 642 845 -1810 254 -1367 1259 -258 50 -246 1860 398 -416 564 -1380 465 -282 -175 799 483 -303 -388 -88 -867 -174 -218 -282 -918 -564 -2555 444 -403 226 187 -1118 1548 -835 1321 614 -400 -18 302 708 2007 831 431 1004 -154 -297 399 1432 -94 317 285 574 685 424 251 -248 1350 -1860 625 1341 -475 -557 -46 -66 -1636 -385 -776 -14 572 -707 -1296 91 853 -412 1011 744 223 343 33 -275 -239 119 -123 67 -589 -1193 -557 8 -1633 -1393 120 -522 580 571 -121 -1442 -1359 -367 -251 821 2005 -67 376 -1099 -750 295 1078 711 373 575 1065 2017 1084 -560 -334 -477 1612 1353 140 724 1399 -262 -2226 -1031 -317 -785 -524 SS 20210902T072723.3Z 7915.310686 299 1 51.77 2 65.64 110.79 27.77 175.54 0.00 1 0.00 1 0 25 1.007e-02 5.176e-03 1.302e-03 2.714e-04 3.026549e-01 1.422953e-04 4.019916e-03 -6.000000e+00 6.054324e-03 230.35 -2.00 3.88 -2.00 318.09 0.00e+00 2.165486e-04 2.278573e-05 9.171571e-05 -6.000000e+00 2.412413e-04 280.96 -2.00 20.00 -2.00 317.76 0.00e+00 2.407 0.000 302.00 328.00 3 7.7664e-01 3.8162e-04 2.9706e-02 -6.0000e+00 1.5237e-02 -8.7007e-04 4.2599e-04 1.7494e-02 -6.0000e+00 1.6531e-02 8.5974e-04 2.7630e-04 8.6618e-03 -6.0000e+00 9.6983e-03 -3.5698e-03 1.4144e-04 2.4740e-03 -6.0000e+00 4.0005e-03 1.5638e-02 -3.9198e-04 8.5912e-06 3.0746e-05 -6.0000e+00 3.0259e-04 -8.1733e-04 1.3562e-05 10 0 0 10 0 0 82.49 22.22 0.22 -0.00082 -0.00376 1518 298 1 5 0 32.654 25.28 20.00 22.22 24.31 27.2 1026.24 -2776 -3806 -3131 -4463 -2606 -2908 -1294 -2014 -1383 -2193 -1550 -818 -1726 -1284 -1402 -1017 -863 -29 41 -57 -24 596 638 -142 142 -653 -688 -593 492 692 878 1026 104 -908 -755 -382 -864 -249 -675 -1097 -1024 -784 -846 -634 -335 -637 -358 -515 -48 501 706 730 927 820 627 918 646 593 740 1199 1244 1272 1199 487 37 365 343 672 985 295 -115 -237 -343 -360 -145 179 315 573 465 -116 -566 -1151 -1391 -1148 -1034 -942 -547 -401 -227 -185 275 319 891 1172 977 749 791 329 -420 -474 -424 -407 252 212 -653 -628 -581 -386 6 27 -53 -188 -166 -55 210 614 556 449 93 -405 -608 -237 -285 6 330 396 1001 1167 778 513 320 143 200 354 -27 -147 37 -54 -417 -249 -297 -274 -199 -180 -274 -229 -316 -166 -180 -83 -145 -110 -186 -133 -73 -174 -149 -187 -150 -135 -5 7 -10 -4 108 119 -28 30 -143 -150 -124 97 134 180 229 25 -231 -186 -93 -227 -76 -227 -432 -445 -360 -402 -305 -161 -307 -170 -242 -22 234 346 384 519 485 386 579 417 383 471 756 806 817 837 364 28 263 232 444 684 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