File name: Pandora21s1_Bremen_20211026_L2Fit_fout2c1d20201116p1-8.txt File generation date: 20240830T092139.7Z 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_20211026_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: 20211026 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 20211026T094938.7Z 7969.409475 374 1 0.75 2 67.82 159.11 72.56 289.57 0.00 1 0.00 1 0 25 2.201e-02 7.136e-03 1.527e-02 4.579e-03 3.325728e-01 2.351760e-03 4.502133e-03 -6.000000e+00 1.287868e-02 222.99 -2.00 3.88 -2.00 317.27 0.00e+00 1.891057e-05 3.135260e-04 8.166193e-05 -6.000000e+00 5.273708e-04 273.76 -2.00 20.00 -2.00 316.96 0.00e+00 2.627 0.000 302.00 328.00 3 1.9278e+00 6.1300e-03 3.1888e-02 -6.0000e+00 3.1870e-02 4.6667e-02 6.8621e-03 1.8545e-02 -6.0000e+00 3.4755e-02 -2.1577e-02 4.2192e-03 9.3519e-03 -6.0000e+00 2.0503e-02 2.9983e-03 2.1108e-03 2.7392e-03 -6.0000e+00 8.5880e-03 3.8170e-03 -1.3483e-03 1.3997e-04 3.5309e-05 -6.0000e+00 6.6018e-04 -3.0484e-03 -3.4196e-05 12 9 1 12 9 1 86.40 22.13 0.14 -0.00305 -0.01318 3 69 1 5 0 140.775 25.28 19.99 22.13 19.77 27.5 1029.41 -3557 3741 -3330 2310 -11946 11053 -3061 396 -6012 -7371 -2882 -5909 2710 -5515 3031 -4194 -2348 -421 2608 -123 352 1578 1856 3595 -826 2263 -4060 1228 776 619 976 2245 986 -2446 1095 -1198 90 -1890 2125 -813 -280 -1642 -902 427 -2016 1966 -1596 150 -570 1299 -315 856 2386 661 1951 517 -460 -318 1453 178 2034 138 533 679 -734 -190 -251 1348 75 -95 81 -68 -157 -159 89 110 221 699 876 -730 -1227 -1403 -972 -925 -628 -106 -870 159 -780 91 53 79 765 577 1153 1162 440 -390 -922 -373 -428 -633 160 189 -416 -471 -1067 -7 92 389 -215 -340 -284 486 497 444 802 767 906 -678 -731 -328 -155 -71 601 608 558 1233 581 614 -561 392 -318 261 384 -165 188 -352 -77 -631 -661 -148 135 -345 373 -364 231 -1263 925 -304 42 -742 -972 -374 -823 388 -965 558 -899 -526 -97 609 -30 88 393 471 943 -236 653 -1233 347 212 169 278 682 323 -848 362 -399 31 -747 930 -406 -150 -926 -518 246 -1183 1125 -931 86 -327 745 -189 536 1547 450 1353 369 -335 -232 1038 127 1462 104 426 565 -624 -157 -200 1050 61 -82 75 -64 -150 -149 80 94 177 543 695 -624 -1134 -1385 -1004 -988 -694 -122 -1033 192 -949 109 62 87 801 593 1212 1290 523 -494 -1219 -496 -554 -785 191 225 -514 -604 -1411 -9 128 563 -323 -520 -431 716 703 607 1081 1050 1280 -998 -1094 -490 -228 -103 842 832 744 1630 794 875 -834 594 -490 410 621 -276 319 -606 -134 -1087 -1119 -244 219 SS 20211026T100905.3Z 7969.422978 383 1 17.96 2 66.91 164.16 75.20 293.02 0.00 1 0.00 1 0 17 1.007e-02 4.958e-03 5.079e-03 1.041e-03 3.166623e-01 5.317738e-04 4.250058e-03 -6.000000e+00 5.895670e-03 222.99 -2.00 3.88 -2.00 318.09 0.00e+00 3.880773e-04 8.840327e-05 1.017266e-04 -6.000000e+00 2.412533e-04 273.76 -2.00 20.00 -2.00 317.78 0.00e+00 2.530 0.000 302.00 328.00 3 2.3357e+00 1.4054e-03 3.0617e-02 -6.0000e+00 1.4590e-02 4.0833e-02 1.5802e-03 1.7715e-02 -6.0000e+00 1.5907e-02 -9.1734e-03 1.0468e-03 8.9769e-03 -6.0000e+00 9.3842e-03 -2.4522e-03 5.4566e-04 2.6592e-03 -6.0000e+00 3.9336e-03 2.8469e-03 -3.5762e-04 3.2628e-05 3.2865e-05 -6.0000e+00 3.0198e-04 -5.9822e-03 3.3487e-05 12 1 1 12 1 1 99.99 22.13 0.18 -0.00598 -0.00867 199 109 1 5 0 88.056 25.28 19.99 22.13 19.92 27.2 1028.80 -1584 -4881 -2170 -3496 -646 -491 -1003 2073 -3412 107 -2414 953 -3345 572 -177 -1059 188 -1147 865 -786 66 115 1682 -340 394 -604 -1200 306 -424 1679 591 2180 -277 -721 -895 -422 -672 -496 -198 -1673 -795 -1191 -994 -1037 -485 -707 -470 -434 -299 405 663 775 754 1022 382 918 431 618 813 794 1305 1121 1400 223 189 27 340 581 984 495 51 -14 -380 -247 -137 129 283 623 523 -191 -483 -1361 -1397 -1239 -833 -831 -421 -302 -113 79 194 319 660 1165 703 863 735 375 -435 -508 -336 -450 434 210 -581 -794 -554 -418 60 57 -163 -241 -230 8 191 652 475 475 164 -219 -433 -233 -168 95 379 60 874 1053 622 360 181 -21 82 355 -60 -59 42 38 -392 -234 -276 -270 -75 -100 -354 -157 -246 -41 -30 -64 142 -274 9 -208 83 -342 65 -24 -158 28 -182 141 -135 11 20 295 -64 78 -126 -252 61 -85 328 124 464 -66 -178 -215 -99 -170 -145 -69 -652 -340 -543 -468 -496 -231 -338 -222 -202 -138 188 323 405 421 601 235 578 278 397 514 498 835 728 986 170 147 20 236 393 697 392 43 -12 -337 -212 -115 98 206 431 374 -145 -415 -1249 -1386 -1300 -884 -941 -502 -373 -140 95 219 346 660 1118 705 948 861 467 -586 -692 -435 -563 506 245 -727 -1014 -742 -588 85 86 -252 -383 -361 13 274 909 649 667 234 -334 -681 -365 -256 140 554 84 1158 1377 858 537 277 -33 134 576 -103 -106 75 69 -731 -430 -490 -479 -129 SS 20211026T102743.3Z 7969.435918 393 1 50.63 2 66.26 169.06 77.66 296.33 0.00 1 0.00 1 0 17 1.025e-01 1.683e-02 8.418e-02 1.502e-02 3.188918e-01 7.699698e-03 4.320685e-03 -6.000000e+00 5.995113e-02 222.99 -2.00 3.88 -2.00 318.38 0.00e+00 -2.556726e-03 1.358361e-03 1.029948e-04 -6.000000e+00 2.455486e-03 273.76 -2.00 20.00 -2.00 318.07 0.00e+00 2.466 0.000 302.00 328.00 3 6.6206e+00 2.0409e-02 3.0250e-02 -6.0000e+00 1.4836e-01 1.4296e-01 2.3047e-02 1.7932e-02 -6.0000e+00 1.6179e-01 1.6491e-02 1.5566e-02 9.1173e-03 -6.0000e+00 9.5446e-02 -1.5358e-02 8.1417e-03 2.7184e-03 -6.0000e+00 3.9975e-02 3.9303e-05 -8.8545e-04 4.7765e-04 3.5213e-05 -6.0000e+00 3.0740e-03 -4.5110e-03 -1.4235e-04 12 9 8 11 8 0 99.90 22.13 0.49 -0.00451 -0.01116 36 7 1 5 0 1406.108 25.28 20.00 22.13 20.14 27.5 1030.87 10684 22886 -4100 15450 -15788 48808 -30789 55526 -29997 27594 -21852 34912 -21994 10861 13583 -154 6860 -4339 6599 -15342 4012 4392 15024 -421 444 4635 -289 18936 -15066 16204 -15427 13175 5104 -1439 -1836 470 -6028 -4545 12430 -5143 -2549 -1038 1096 1353 -6261 1377 598 6599 -651 2078 -6793 585 -2096 3580 849 -1211 5018 4154 1317 -5167 1184 284 2495 532 -3167 2407 -1915 4689 -2873 3020 1544 3203 -43 -436 351 -2340 -766 -4175 966 -314 2576 -1964 502 -1917 1106 -2493 -1909 242 -51 1841 50 331 -1517 373 -721 1950 2388 -587 1116 -535 -428 -461 -41 -1466 -529 -2096 245 -458 -1405 2101 -644 1521 70 346 -826 1422 -2135 -509 -763 229 -583 -46 1078 400 1569 1151 457 781 192 769 -1784 1266 -941 1081 -825 1019 192 -121 -814 -640 223 -903 733 602 1258 -288 886 -1099 1955 -2521 2477 -3018 1807 -2226 2287 -2562 1072 1468 -20 906 -661 948 -2769 623 685 2200 -75 84 885 -58 3042 -3120 2491 -3303 2354 1054 -325 -406 101 -1470 -1263 3500 -1979 -1057 -448 477 593 -2940 598 259 2645 -278 876 -3269 281 -1101 1882 476 -714 2850 2382 764 -3151 693 178 1648 381 -2380 1637 -1279 2881 -1997 2199 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