File name: Pandora21s1_Bremen_20210821_L2Fit_fout2c12d20201116p1-8.txt File generation date: 20250430T204639.1Z Data description: Level 2 spectral fitting results file Data file version: fout2c12p1-8 Local principal investigator: Tom Hanisco Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 21 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora21_OF_v4d20190904.txt Instrument calibration file used: Pandora21s1_CF_v12d20201116.txt Level 1 file used: Pandora21s1_Bremen_20210821_L1_smca1c12d20201116p1-8.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: 20210821 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 20210821T062221.0Z 7903.265521 213 1 50.39 2 72.27 93.55 124.31 278.81 0.00 1 0.00 1 0 25 4.215e-01 1.737e-02 2.590e-01 1.491e-02 4.301316e-01 8.054691e-03 5.502026e-03 -6.000000e+00 2.549854e-01 231.88 -2.00 3.88 -2.00 319.99 0.00e+00 1.595045e-04 2.175987e-03 2.537100e-04 -6.000000e+00 1.056446e-02 282.21 -2.00 20.00 -2.00 319.67 0.00e+00 3.237 0.001 302.00 328.00 3 5.7483e+00 2.2641e-02 4.1041e-02 -6.0000e+00 6.4496e-01 1.5809e-02 2.6438e-02 2.5247e-02 -6.0000e+00 6.9903e-01 5.0141e-02 2.3586e-02 1.2899e-02 -6.0000e+00 4.0920e-01 -2.8599e-02 1.2534e-02 3.8821e-03 -6.0000e+00 1.6909e-01 3.9548e-05 -9.2824e-04 4.8972e-04 4.9364e-05 -6.0000e+00 1.2696e-02 -1.8882e-03 6.1046e-05 12 8 8 10 0 0 99.98 22.19 0.48 -0.00189 -0.00886 43 8 1 5 0 1171.649 25.28 19.99 22.19 23.75 26.7 1012.13 -18005 -8082 900000 -3635 -22001 251475 14381 363419 60300 900000 -6303 44782 -1161 16523 -31412 21123 17698 103665 -12178 -34632 31984 64129 74481 6041 218 5906 84488 -6212 -26750 25703 -13796 12967 9840 109 -3374 13601 -10708 1443 23876 -10359 -8367 -4761 -3478 -1135 831 -16337 8973 5457 -292 2103 -2067 2678 -3180 -3502 -4117 10438 -5562 5231 -3658 1448 2670 181 -1552 -2676 4347 -1858 2081 1025 2801 3203 1032 4268 125 1479 -2089 10724 -761 4069 -1875 2480 -3035 -3001 -256 -4187 2616 -478 598 -2149 -518 644 1959 -220 818 137 1463 1069 510 1099 -2052 189 -1010 -602 1321 140 -797 -347 1487 267 42 261 -1044 -1260 -207 752 -748 1281 -772 1723 -1906 -1010 -2056 -485 736 -323 1582 376 1094 264 1375 -1161 1769 -519 894 640 -100 865 -105 1724 -939 -334 -810 654 -1586 -342 -158 900000 -71 -473 3654 240 5281 876 900000 -172 859 -37 530 -1731 847 791 2440 -787 -2832 1546 2417 2667 405 16 445 3351 -514 -2572 1612 -1308 1088 931 12 -372 1292 -1348 188 3031 -2076 -1833 -1078 -811 -265 193 -4480 1962 1235 -71 516 -562 756 -1023 -1206 -1497 3439 -2185 1869 -1404 527 984 73 -697 -1315 2065 -911 944 468 1338 1703 615 2602 80 903 -1237 5147 -375 1855 -950 1353 -1984 -2190 -198 -3568 2221 -446 583 -2227 -532 637 1807 -192 664 110 1223 994 535 1277 -2645 242 -1253 -688 1388 148 -899 -414 1830 350 58 392 -1700 -2140 -348 1200 -1138 1811 -1094 2450 -2960 -1638 -3448 -794 1159 -497 2295 529 1471 357 1951 -1836 2921 -919 1617 1210 -201 1813 -230 3788 -2128 -741 -1742 1328 -3191 SS 20210821T071849.6Z 7903.304741 246 1 49.85 2 63.92 105.43 131.99 291.43 0.00 1 0.00 1 0 17 3.927e-02 7.218e-03 3.007e-02 5.128e-03 3.022380e-01 2.698879e-03 4.002177e-03 -6.000000e+00 2.374011e-02 231.87 -2.00 3.88 -2.00 318.57 0.00e+00 8.613248e-04 4.842317e-04 1.022487e-04 -6.000000e+00 9.409572e-04 282.21 -2.00 20.00 -2.00 318.24 0.00e+00 2.261 0.000 302.00 328.00 3 5.6706e+00 7.2991e-03 2.8723e-02 -6.0000e+00 5.9968e-02 5.1313e-02 8.1775e-03 1.7631e-02 -6.0000e+00 6.4989e-02 8.8438e-03 5.5494e-03 8.7326e-03 -6.0000e+00 3.8083e-02 -1.0006e-02 2.8790e-03 2.5009e-03 -6.0000e+00 1.5656e-02 1.2960e-04 -7.4977e-04 1.6480e-04 3.1036e-05 -6.0000e+00 1.1808e-03 -4.5192e-04 -4.8721e-05 11 8 0 10 0 0 99.97 22.20 0.28 -0.00045 -0.00609 36 7 1 5 0 1384.410 25.28 20.00 22.20 25.56 26.8 1020.58 -1475 -11465 3408 21218 5599 14497 -3599 11152 -10252 19533 -451 1120 -4358 -804 6339 -4050 10865 -5027 898 -4378 2872 -3142 3454 -6439 -3166 -485 -4657 2790 -8147 8541 -4535 5074 -407 -1425 188 -1370 1512 -1473 -392 -1996 2537 -1787 1146 -740 -736 -637 -2748 199 -2226 2838 613 1210 -446 -462 -449 818 610 -498 2429 -755 1971 863 1293 834 1743 77 -287 525 1292 852 -362 1490 -223 333 -427 526 -1027 -103 672 -1897 -342 -1177 -74 -786 -503 -887 567 -838 -274 -4 -201 1550 -346 1568 -26 65 273 583 -649 -472 214 -1253 806 -618 -556 -1314 -764 349 -291 438 161 617 -100 300 -418 642 -542 86 -79 86 -622 -184 326 -234 584 225 495 964 417 420 312 625 -424 462 -433 316 -26 -14 -180 76 -111 -1016 171 -81 -758 202 1031 291 674 -206 619 -758 1158 -33 84 -382 -78 661 -513 1275 -719 127 -675 423 -493 521 -1122 -565 -88 -873 469 -1454 1295 -823 916 -83 -305 39 -282 325 -377 -118 -702 941 -730 470 -315 -314 -272 -1189 83 -938 1155 267 561 -223 -244 -245 453 345 -285 1336 -427 1114 525 846 582 1222 53 -184 327 841 617 -288 1226 -188 271 -329 368 -666 -63 423 -1351 -268 -1025 -68 -772 -522 -982 653 -1010 -330 -5 -223 1563 -329 1419 -25 67 312 728 -872 -636 275 -1519 909 -710 -676 -1703 -1030 486 -428 677 262 1025 -165 468 -614 882 -740 120 -116 134 -998 -293 507 -354 842 312 657 1263 573 616 483 998 -700 781 -773 588 -50 -28 -356 148 -211 -1882 306 SS 20210821T073714.8Z 7903.317533 258 1 49.83 2 61.29 109.54 134.36 295.99 0.00 1 0.00 1 0 17 3.436e-02 9.592e-03 3.402e-02 7.425e-03 2.841706e-01 3.897983e-03 3.739930e-03 -6.000000e+00 2.078020e-02 231.87 -2.00 3.88 -2.00 318.13 0.00e+00 8.770041e-04 6.256454e-04 8.656836e-05 -6.000000e+00 8.230225e-04 282.21 -2.00 20.00 -2.00 317.81 0.00e+00 2.071 0.000 302.00 328.00 3 6.5001e+00 1.0458e-02 2.6542e-02 -6.0000e+00 5.2494e-02 9.7060e-02 1.1691e-02 1.6459e-02 -6.0000e+00 5.6875e-02 3.1151e-03 7.5479e-03 8.1116e-03 -6.0000e+00 3.3328e-02 -6.4620e-03 3.8362e-03 2.3071e-03 -6.0000e+00 1.3712e-02 6.8308e-05 3.2497e-04 2.3526e-04 2.8452e-05 -6.0000e+00 1.0326e-03 -2.3378e-03 8.0395e-05 12 8 8 10 0 0 99.93 22.20 0.25 -0.00234 0.00010 14 3 1 5 0 3558.919 25.28 19.99 22.20 25.89 26.9 1023.21 4500 463 -7493 -5421 5262 -1470 -2960 20253 -12122 -2350 -19134 3692 9170 5513 8677 -1392 2849 -985 908 4260 -1600 1156 -540 -982 -262 4947 246 1455 3319 -6804 -3978 -2452 100 1918 433 -4944 3582 -1528 -5078 -213 -96 -2272 -144 435 -1663 -741 -173 -2561 540 -531 1135 -166 1678 2249 487 -1007 529 485 2961 1555 1377 187 3040 464 1033 -1286 554 -610 1317 428 669 306 611 402 517 -1666 -1003 -2192 -1757 -2456 -2191 -429 -672 -1033 -1473 -169 710 1551 1141 1391 495 139 -521 -2086 -825 73 319 169 542 60 -206 -771 -466 -624 -1337 -1678 -738 131 106 1542 1213 -518 478 296 -436 -231 -898 191 -974 -725 -97 -6 1018 -433 63 343 1242 905 -343 1503 -899 -396 592 428 748 404 -53 709 -324 -29 -875 -849 -156 304 35 -633 -429 348 -100 -213 1301 -1154 -214 -2072 336 881 628 1092 -212 442 -166 156 735 -299 211 -102 -196 -55 1014 53 295 629 -1408 -843 -555 24 461 102 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