File name: Pandora21s1_Bremen_20230308_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T134400.0Z 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_20230308_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: 20230308 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 20230308T080421.7Z 8467.336362 304 1 1.74 2 72.98 123.89 103.45 295.06 0.00 1 0.00 1 0 25 2.130e-01 1.055e-02 2.279e-01 7.980e-03 5.863143e-01 4.182661e-03 7.573218e-03 -6.000000e+00 1.267851e-01 224.64 -2.00 3.88 -2.00 319.55 0.00e+00 4.907731e-04 1.093135e-03 3.451678e-04 -6.000000e+00 5.109609e-03 267.69 -2.00 20.00 -2.00 319.28 0.00e+00 3.365 0.001 302.00 328.00 3 2.7703e+00 1.1456e-02 4.7188e-02 -6.0000e+00 3.1532e-01 5.5158e-02 1.3479e-02 3.3137e-02 -6.0000e+00 3.4306e-01 -1.1657e-02 1.2492e-02 1.7339e-02 -6.0000e+00 2.0139e-01 -5.4519e-03 6.7492e-03 5.3584e-03 -6.0000e+00 8.4173e-02 5.6389e-04 -5.6225e-04 2.3118e-04 6.3853e-05 -6.0000e+00 6.4731e-03 -3.4113e-02 7.4281e-05 12 9 9 12 1 1 999.00 22.15 0.21 -0.03411 -0.03834 2 19 1 5 0 520.931 25.28 19.99 22.15 7.86 30.9 1001.94 11172 3316 111683 -19725 24949 -61000 -41501 900000 -16832 -4765 -103516 105246 -60053 -9093 -8772 31323 80185 -37205 62070 -27438 16492 -25624 13727 -9453 14409 -3436 4627 1798 -19181 6158 -19236 -1491 9619 -8919 -12857 -3612 6520 -1379 3832 -427 2093 -4657 5523 -5039 3731 -1310 2662 975 -1527 2107 -1313 5598 -1181 -656 -1660 2852 1576 1861 1330 -2453 3005 2188 2664 1966 -628 1636 2750 -471 1506 1066 -708 1347 -1303 -338 614 1070 -32 -1117 976 80 315 -874 -2014 -2606 -1239 -1933 -295 180 1921 589 640 723 -323 943 10 1688 1163 107 -1321 212 -548 -282 -57 -707 -566 -1414 -737 -1745 -636 382 -278 41 -587 634 -208 688 368 179 -331 -720 608 -305 584 228 1132 75 80 691 -20 1118 1286 199 241 864 -24 -128 -641 -368 -589 449 272 -569 -851 87 30 869 -243 197 -1013 -613 900000 -253 -71 -3910 819 -2001 -237 -276 813 1525 -2187 1635 -1685 712 -1639 641 -584 781 -233 300 118 -1500 397 -1730 -132 879 -1041 -1565 -402 702 -182 577 -79 426 -1087 1240 -1275 888 -330 659 249 -412 578 -398 1747 -422 -250 -674 1162 667 793 562 -1053 1248 966 1275 1029 -353 908 1486 -262 869 674 -491 964 -958 -241 413 667 -19 -649 584 53 233 -717 -1790 -2442 -1199 -1961 -307 191 2030 618 648 698 -302 868 10 1749 1321 133 -1756 285 -725 -354 -67 -820 -673 -1758 -943 -2327 -882 557 -430 67 -961 1016 -325 1036 547 269 -515 -1154 978 -488 909 349 1681 109 114 977 -30 1752 2132 345 431 1583 -45 -252 -1293 -749 -1205 904 535 -1087 -1586 SS 20230308T085527.8Z 8467.371850 332 1 16.09 2 67.08 135.90 110.01 305.97 0.00 1 0.00 1 0 25 5.438e-02 6.422e-03 4.293e-02 3.718e-03 4.452709e-01 1.928097e-03 5.894235e-03 -6.000000e+00 3.215964e-02 224.64 -2.00 3.88 -2.00 319.00 0.00e+00 1.033229e-03 4.202276e-04 2.025634e-04 -6.000000e+00 1.304484e-03 267.69 -2.00 20.00 -2.00 318.73 0.00e+00 2.548 0.000 302.00 328.00 3 4.4780e+00 5.1980e-03 3.5827e-02 -6.0000e+00 7.9887e-02 6.6890e-02 5.9320e-03 2.5150e-02 -6.0000e+00 8.6874e-02 -1.1871e-02 4.7056e-03 1.2928e-02 -6.0000e+00 5.1191e-02 -3.5940e-03 2.5492e-03 3.8996e-03 -6.0000e+00 2.1483e-02 2.6117e-04 -6.5350e-04 1.1325e-04 4.7376e-05 -6.0000e+00 1.6303e-03 -3.3321e-02 8.6260e-05 12 9 1 12 1 1 99.91 22.17 0.26 -0.03332 -0.03823 9 6 1 5 0 1591.005 25.28 20.00 22.17 9.13 30.8 1006.76 4666 -2863 6701 5149 -26523 -20360 -37230 14241 -1209 5821 -22019 7998 -15632 6158 -6735 2726 -4304 -3032 -3565 -3318 -243 486 5189 -3950 557 -3450 -1208 -3171 -4972 2300 -5741 2829 -2165 581 -820 -4396 -705 -645 2036 -1569 -2037 -2945 -396 -923 1470 1767 553 912 -1053 1080 -176 560 875 726 289 1620 597 594 367 21 1975 1156 2768 808 1046 175 -276 258 745 401 -496 568 58 305 -47 -306 804 714 -664 -463 -123 -1507 -822 -1548 -714 -1626 8 -977 -535 -74 -250 905 159 1663 917 1043 862 583 -133 -471 -166 -530 320 199 -681 -1089 -844 -527 144 -241 94 318 -22 -54 433 751 150 421 26 -461 -682 -88 -45 -539 645 -82 768 1118 885 478 508 -161 82 372 -16 -78 -593 250 -592 189 -290 -340 77 97 -72 166 128 -828 -578 -1280 340 -37 180 -917 270 -747 287 -419 179 -332 -249 -313 -304 -22 45 470 -413 60 -405 -141 -370 -573 249 -723 370 -330 92 -131 -714 -116 -121 443 -413 -604 -944 -130 -311 489 591 188 310 -368 381 -66 226 378 334 140 800 304 305 186 11 989 615 1572 503 677 113 -172 157 472 279 -377 450 47 239 -35 -212 512 437 -423 -323 -96 -1303 -760 -1513 -726 -1748 9 -1122 -618 -84 -272 921 154 1555 890 1093 990 731 -178 -646 -222 -669 379 231 -823 -1383 -1111 -718 203 -360 149 519 -35 -87 664 1100 216 613 39 -726 -1097 -140 -70 -826 952 -117 1065 1530 1257 724 813 -269 141 652 -29 -148 -1152 491 -1173 371 -555 -631 138 SS 20230308T090450.7Z 8467.378365 335 1 50.04 2 66.12 138.22 111.13 308.07 0.00 1 0.00 1 0 25 3.297e-02 5.080e-03 2.877e-02 2.178e-03 4.268865e-01 1.133371e-03 5.630246e-03 -6.000000e+00 1.949303e-02 224.64 -2.00 3.88 -2.00 319.36 0.00e+00 4.942360e-04 2.694417e-04 2.126272e-04 -6.000000e+00 7.907900e-04 267.69 -2.00 20.00 -2.00 319.07 0.00e+00 2.452 0.000 302.00 328.00 3 4.2167e+00 3.0869e-03 3.4446e-02 -6.0000e+00 4.8422e-02 4.4187e-02 3.5544e-03 2.4177e-02 -6.0000e+00 5.2663e-02 1.0232e-02 2.9522e-03 1.2522e-02 -6.0000e+00 3.1032e-02 -1.3738e-02 1.5942e-03 3.8248e-03 -6.0000e+00 1.3019e-02 3.8389e-04 -7.8301e-04 6.8288e-05 4.7229e-05 -6.0000e+00 9.8851e-04 -3.2790e-02 1.6441e-05 10 0 0 10 0 0 99.98 22.17 0.16 -0.03279 -0.03867 75 15 1 5 0 667.123 25.28 20.00 22.17 9.39 31.0 1008.95 11305 10156 -2006 -4587 -4634 13457 -24906 -9083 -416 -1012 -2112 -4913 -2240 3164 -7627 -7163 879 -2393 -1859 11 3577 -1373 1421 270 -2013 1428 -406 -2972 -4626 2829 -1316 2754 -1371 1776 -672 -3507 -792 -3495 519 -1400 -1828 -1647 -965 -713 762 -668 -484 -264 -1632 438 1088 1689 -405 1212 817 84 620 319 687 37 1384 743 1260 1015 378 609 492 915 790 462 67 438 -365 -71 -269 188 190 -148 782 -536 -148 -1536 -1369 -1096 -862 -733 -515 -59 -113 -5 157 1151 648 1678 685 1137 709 366 -126 -539 -72 -556 132 175 -756 -620 -448 -688 -346 386 -25 -105 -339 2 109 685 480 491 63 -349 -635 -391 -202 -312 378 86 837 1208 480 167 279 290 -20 242 -147 55 -42 89 -290 -226 -202 -360 234 204 209 -49 -113 -107 257 -693 -244 -12 -30 -67 -169 -85 135 -423 -452 57 -170 -140 1 276 -112 116 24 -194 140 -41 -303 -464 265 -138 311 -179 240 -92 -486 -113 -586 100 -323 -477 -461 -281 -212 225 -202 -147 -80 -505 137 357 596 -157 494 351 38 284 148 312 17 626 358 659 576 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