File name: Pandora21s1_Bremen_20220919_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T184727.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c6p1-8 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_v6d20211128.txt Level 1 file used: Pandora21s1_Bremen_20220919_L1_smca1c6d20211128p1-8.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: 20220919 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]: 305.0476 305.1881 305.3286 305.4691 305.6096 305.7501 305.8905 306.0309 306.1714 306.3118 306.4522 306.5926 306.7329 306.8733 307.0137 307.1540 307.2943 307.4346 307.5749 307.7152 307.8555 307.9958 308.1361 308.2763 308.4165 308.5568 308.6970 308.8372 308.9774 309.1176 309.2577 309.3979 309.5380 309.6781 309.8183 309.9584 310.0985 310.2386 310.3786 310.5187 310.6587 310.7988 310.9388 311.0788 311.2188 311.3588 311.4988 311.6387 311.7787 311.9186 312.0586 312.1985 312.3384 312.4783 312.6182 312.7581 312.8979 313.0378 313.1776 313.3174 313.4572 313.5970 313.7368 313.8766 314.0164 314.1561 314.2959 314.4356 314.5753 314.7150 314.8547 314.9944 315.1341 315.2737 315.4134 315.5530 315.6927 315.8323 315.9719 316.1115 316.2510 316.3906 316.5302 316.6697 316.8092 316.9487 317.0883 317.2277 317.3672 317.5067 317.6462 317.7856 317.9250 318.0645 318.2039 318.3433 318.4827 318.6220 318.7614 318.9008 319.0401 319.1794 319.3187 319.4581 319.5973 319.7366 319.8759 320.0152 320.1544 320.2936 320.4329 320.5721 320.7113 320.8505 320.9896 321.1288 321.2679 321.4071 321.5462 321.6853 321.8244 321.9635 322.1026 322.2417 322.3807 322.5198 322.6588 322.7978 322.9368 323.0758 323.2148 323.3538 323.4927 323.6317 323.7706 323.9095 324.0484 324.1873 324.3262 324.4651 324.6040 324.7428 324.8817 --------------------------------------------------------------------------------------- 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 20220919T053951.7Z 8297.236015 244 1 48.96 2 85.64 93.36 27.30 159.84 0.00 1 0.00 1 0 25 6.673e-01 1.123e-01 5.647e-01 1.041e-01 1.193007e+00 7.352758e-02 1.442418e-02 -6.000000e+00 4.389274e-01 228.14 -2.00 3.88 -2.00 322.13 0.00e+00 -1.615544e-02 2.391690e-02 1.238924e-03 -6.000000e+00 2.830877e-02 279.06 -2.00 20.00 -2.00 321.73 0.00e+00 10.810 0.028 302.00 328.00 3 -3.5626e-01 2.3515e-01 1.3005e-01 -6.0000e+00 1.1202e+00 2.9564e+00 2.6170e-01 6.7589e-02 -6.0000e+00 1.2384e+00 -2.5801e+00 1.7910e-01 3.4029e-02 -6.0000e+00 6.9887e-01 7.8141e-01 9.8988e-02 1.0729e-02 -6.0000e+00 2.9839e-01 2.8462e-06 -8.1662e-04 3.1284e-03 1.9508e-04 -6.0000e+00 2.3376e-02 2.5365e-03 0.0000e+00 12 8 8 10 0 0 51.10 22.22 1.68 0.00254 -0.00360 15 3 1 5 0 3263.266 25.39 20.00 22.22 16.35 29.8 1004.68 900000 900000 -26554 900000 900000 900000 900000 900000 900000 900000 900000 -4532 900000 900000 900000 900000 194201 900000 900000 12174 900000 900000 48698 900000 900000 900000 900000 900000 -54978 900000 900000 900000 900000 79431 900000 900000 49639 900000 77273 900000 198784 149631 900000 119068 -72944 900000 10615 -81850 -40987 900000 900000 900000 900000 900000 38849 256365 86516 -59034 47606 900000 900000 -15722 -49864 30454 211151 -32850 2111 121478 5894 73226 150230 -8826 150 8548 -18929 58969 1958 13861 159423 -58967 147762 53144 18747 -7440 53970 133365 99597 43675 -21087 16926 -17404 59849 -3458 -23305 27656 -9630 -7967 9795 38452 2601 5204 42346 7737 -21893 23558 39412 -11077 16294 25799 867 -4742 18026 -4396 7811 -836 -5126 -7477 -3366 -9024 -12538 -3484 18888 -3106 -4531 28255 -8631 4430 724 1899 7662 3050 558 -7571 -9620 470 4480 5813 4975 855 840 3570 -4523 -5871 900000 900000 -4336 900000 900000 900000 900000 900000 900000 900000 900000 -455 900000 900000 900000 900000 19516 900000 900000 1305 900000 900000 4894 900000 900000 900000 900000 900000 -7367 900000 900000 900000 900000 7982 900000 900000 4988 900000 7766 900000 19977 15037 900000 11966 -18082 900000 1067 -19193 -7061 900000 900000 900000 900000 900000 4741 25764 8694 -19069 4784 900000 900000 -2483 -12170 3716 21220 -8253 379 12208 1185 8410 15097 -2534 38 1779 -4484 5926 295 1890 16021 -22434 14849 9156 5114 -2831 11622 14434 14299 10973 -9839 5103 -6871 10311 -1117 -9870 8139 -4908 -4747 5695 18769 1886 3511 17630 3999 -14144 9808 14711 -7236 8772 14260 722 -4902 16821 -5154 8915 -1033 -6476 -9661 -4301 -11849 -17388 -4601 18711 -3590 -5107 22310 -9603 4261 759 2276 10394 5080 1006 -16332 -23203 1115 10895 14410 12565 2233 2109 8084 -10121 -12430 SS 20220919T063459.0Z 8297.274295 268 1 49.69 2 77.48 104.60 26.34 186.54 0.00 1 0.00 1 0 25 3.878e-01 9.345e-03 2.162e-01 4.543e-03 6.530300e-01 2.539862e-03 8.085207e-03 -6.000000e+00 2.317634e-01 228.13 -2.00 3.88 -2.00 321.20 0.00e+00 1.892348e-03 9.695826e-04 7.133816e-04 -6.000000e+00 9.671618e-03 279.06 -2.00 20.00 -2.00 320.88 0.00e+00 4.485 0.002 302.00 328.00 3 2.5183e+00 7.6915e-03 5.9082e-02 -6.0000e+00 5.8022e-01 -1.1315e-02 1.0626e-02 3.9327e-02 -6.0000e+00 6.3001e-01 3.3081e-02 1.2406e-02 2.2027e-02 -6.0000e+00 3.7071e-01 -1.6691e-02 6.1957e-03 7.3480e-03 -6.0000e+00 1.5582e-01 2.4314e-04 -1.3465e-03 1.4571e-04 9.6964e-05 -6.0000e+00 1.1781e-02 2.7531e-03 0.0000e+00 12 8 8 10 0 0 99.86 22.22 0.09 0.00275 -0.00737 211 41 1 5 0 235.359 25.39 20.00 22.22 17.67 29.9 1012.55 -204770 900000 -40367 900000 -151211 -34100 -77052 -175061 -36475 -87607 -61733 -141893 900000 -105779 49509 -533 -21975 61495 -52421 95656 -40051 112248 -43256 56105 -12781 24882 21845 -13103 23300 -23121 49292 -25986 31532 3976 62698 2601 30438 22182 -7449 18567 -9760 13252 -4258 16702 -2851 8681 7663 9173 6661 -358 12154 -2824 12118 1910 7956 -1827 8731 319 -1150 4769 -1334 5435 -1454 5397 -1402 4034 -1764 2095 497 188 2400 -3419 548 -3643 742 -3760 1869 509 482 -1159 -1581 1369 -2728 -1247 -1924 -408 -2095 -1 -211 75 779 -402 1111 -1373 1240 -636 1828 -181 161 -167 3 94 42 143 -1655 -385 -1086 47 189 662 363 576 798 63 919 86 819 -249 -45 -714 -178 -171 -470 -274 -664 90 -301 1562 157 408 138 267 7 -521 -369 -647 435 -338 161 -42 261 -111 348 -2756 900000 -181 900000 -1646 -151 -492 -2733 -210 -835 -514 -2486 900000 -2045 340 -6 -352 562 -1263 762 -964 833 -1138 731 -307 472 436 -343 462 -697 954 -1053 918 155 1552 104 1041 927 -469 1105 -830 1004 -395 1343 -277 782 716 874 680 -41 1377 -405 1672 313 1319 -348 1563 62 -225 874 -264 1090 -347 1346 -399 1103 -504 591 154 66 911 -1454 226 -1511 275 -1331 584 160 163 -459 -732 703 -1610 -779 -1287 -286 -1574 -1 -162 56 552 -271 706 -898 856 -506 1631 -187 181 -195 4 98 40 133 -1623 -396 -1183 54 233 893 540 915 1294 101 1404 127 1182 -371 -70 -1169 -294 -276 -734 -414 -971 127 -411 2109 232 669 250 516 14 -1123 -841 -1558 1070 -852 406 -105 619 -250 749 SS 20220919T064510.4Z 8297.281370 271 1 49.50 2 76.01 106.73 26.58 191.49 0.00 1 0.00 1 0 25 1.466e-01 4.832e-03 2.666e-02 6.854e-04 5.894059e-01 3.701729e-04 7.432486e-03 -6.000000e+00 8.761687e-02 228.13 -2.00 3.88 -2.00 320.63 0.00e+00 1.081292e-03 1.247782e-04 5.010936e-04 -6.000000e+00 3.510441e-03 279.06 -2.00 20.00 -2.00 320.33 0.00e+00 4.044 0.001 302.00 328.00 3 1.1893e-01 1.0726e-03 5.3024e-02 -6.0000e+00 2.1939e-01 3.4085e-02 1.3688e-03 3.4727e-02 -6.0000e+00 2.3815e-01 -1.0756e-02 1.4926e-03 1.8710e-02 -6.0000e+00 1.3996e-01 -6.1541e-03 7.7102e-04 5.9938e-03 -6.0000e+00 5.8223e-02 4.3066e-03 -8.6790e-04 2.1363e-05 7.7104e-05 -6.0000e+00 4.3980e-03 -5.5119e-04 0.0000e+00 10 0 0 10 0 0 32.48 22.22 0.21 -0.00055 -0.00707 1037 203 1 5 0 45.738 25.39 20.00 22.22 18.78 30.1 1018.57 -53691 -60313 -51609 -48306 -64501 -57200 -56135 -34587 -34018 -30027 -44014 -25854 -15311 -17581 -11898 -5263 -5139 -5967 395 -6890 -2912 -3886 -4047 -7774 -6154 -4421 -7802 -6116 -7227 -3507 -4907 -484 -696 -1272 -3733 -3313 -2437 -2060 -729 -1566 -558 -859 -1096 -789 -293 123 -835 -889 -31 1173 809 1080 586 1025 627 674 474 216 672 492 998 1045 1649 1157 1002 1066 781 854 950 363 -23 35 -259 -193 -410 210 273 263 349 -415 -392 -897 -1351 -1170 -982 -856 -401 -127 104 257 635 955 1089 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