File name: Pandora21s1_Bremen_20221123_L2Fit_fout2c6d20211128p1-8.txt File generation date: 20240904T194853.8Z 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_20221123_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: 20221123 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 20221123T101025.4Z 8362.423905 155 1 2.32 2 74.63 165.25 74.04 172.60 0.00 1 0.00 1 0 25 2.651e-01 1.509e-02 2.362e-01 1.201e-02 5.396327e-01 6.182781e-03 7.088190e-03 -6.000000e+00 1.541163e-01 220.48 -2.00 3.88 -2.00 319.52 0.00e+00 1.468466e-03 1.603415e-03 3.052129e-04 -6.000000e+00 6.351370e-03 269.95 -2.00 20.00 -2.00 319.25 0.00e+00 3.705 0.001 302.00 328.00 3 3.1737e+00 1.6859e-02 4.7271e-02 -6.0000e+00 3.7942e-01 7.3823e-02 1.9778e-02 3.0077e-02 -6.0000e+00 4.1389e-01 -6.4064e-02 1.7789e-02 1.5831e-02 -6.0000e+00 2.4459e-01 2.6570e-02 9.6184e-03 4.9408e-03 -6.0000e+00 1.0348e-01 2.9653e-04 -1.2140e-03 3.5414e-04 6.1670e-05 -6.0000e+00 7.9370e-03 -6.9006e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.12 0.29 -0.00690 -0.01602 1 9 1 5 0 1067.650 25.28 20.00 22.12 15.56 30.6 1012.18 -111822 117166 68698 -97771 39294 -90662 84120 -94723 -24017 -72857 61909 -13843 -60196 18741 11969 87525 -18243 8683 9829 -4325 2240 37447 40230 386 11111 -10108 28796 -21170 17792 -9742 -6864 19175 17647 4905 -2537 9688 -13200 22515 -1323 5217 -7395 -5184 2119 -2228 -4609 -2431 -2021 -5518 2841 3680 4970 4710 3957 1938 36 3709 630 6934 -1251 4296 2723 4107 -1642 3386 2184 -2729 2508 -3843 2214 -1214 972 -1513 -433 17 255 -506 -2003 3501 1729 -806 -2722 -749 -2361 -1769 -865 -4579 34 372 2745 -1329 489 2417 1584 90 1154 1850 523 1398 -826 -369 -1253 508 961 -1400 -494 -1666 -1549 -1990 1097 1177 909 -1462 -504 -580 871 1334 94 129 749 -645 -2177 264 1118 271 573 109 697 1235 -24 -123 508 570 747 936 178 -311 -37 299 -929 -826 -512 310 -308 -3621 1372 805 -3415 460 -2732 985 -3449 -517 -2627 725 -339 -2618 489 399 1727 -1037 421 504 -264 133 1640 1769 26 727 -846 1729 -1969 1143 -826 -628 1589 1672 560 -309 1046 -1853 2621 -226 987 -1754 -1297 521 -584 -1249 -655 -550 -1570 773 1036 1480 1529 1397 743 15 1527 273 2867 -546 1767 1150 1816 -828 1782 1219 -1578 1361 -2193 1267 -781 666 -1106 -317 12 171 -318 -1190 1947 1019 -535 -2051 -612 -2096 -1643 -834 -4734 35 397 2896 -1419 497 2305 1458 83 1101 1905 595 1718 -1094 -498 -1663 632 1124 -1630 -589 -2085 -2005 -2680 1517 1722 1410 -2394 -829 -939 1353 1996 139 194 1157 -1036 -3579 423 1749 417 858 160 993 1749 -36 -195 850 992 1334 1718 340 -616 -74 609 -1912 -1684 -1015 593 -576 SS 20221123T101446.4Z 8362.426926 158 1 2.88 2 74.47 166.30 73.98 173.63 0.00 1 0.00 1 0 25 1.483e-01 8.185e-03 1.301e-01 5.499e-03 5.357538e-01 2.829599e-03 7.047636e-03 -6.000000e+00 8.619539e-02 220.48 -2.00 3.88 -2.00 319.48 0.00e+00 1.521581e-04 7.259178e-04 3.004151e-04 -6.000000e+00 3.552731e-03 269.95 -2.00 20.00 -2.00 319.20 0.00e+00 3.669 0.001 302.00 328.00 3 2.4287e+00 7.7126e-03 4.6879e-02 -6.0000e+00 2.1220e-01 4.3919e-02 9.0282e-03 2.9876e-02 -6.0000e+00 2.3150e-01 -1.5098e-02 8.1440e-03 1.5716e-02 -6.0000e+00 1.3681e-01 -2.0540e-03 4.4156e-03 4.9023e-03 -6.0000e+00 5.7860e-02 6.5636e-04 -8.8729e-04 1.6246e-04 6.0359e-05 -6.0000e+00 4.4405e-03 -5.0974e-03 0.0000e+00 12 9 1 12 1 1 -947.82 22.12 0.25 -0.00510 -0.01176 5 22 1 5 0 449.600 25.28 20.00 22.12 15.71 30.7 1012.72 -34782 -53722 -38008 -14377 -36173 108442 -35485 45061 -51058 -43307 -2986 -20258 -5156 -14239 23266 -11085 23349 -13269 12273 -13092 1819 -4532 12784 8057 -13366 4864 -12078 5130 -6030 -738 -3871 -2513 4 -3653 7076 -6769 1608 1684 3766 -2034 738 -400 -723 4629 569 1361 -329 2764 -3319 1729 -2220 1467 1718 -583 1569 1497 2543 -1014 52 -1247 746 -139 1819 122 -403 1271 1752 2972 -1325 1738 -1331 738 -933 -1289 406 -474 931 -830 121 -1039 814 -2093 -1882 -2108 -1728 -796 -304 143 -370 238 772 1053 1061 2419 1240 976 1465 812 -128 -875 435 -410 -226 131 -293 -121 -1247 -350 -903 -196 -310 171 112 245 -38 802 768 79 80 -15 -702 -580 -933 -941 829 -70 1048 1370 886 626 65 384 -104 143 -394 -433 -99 -129 -137 -15 -117 -204 299 -526 -1104 -727 -221 -643 582 -652 452 -1358 -1170 -60 -518 -135 -488 686 -514 887 -758 598 -840 106 -283 709 501 -1090 357 -1056 379 -482 -58 -345 -253 0 -448 788 -848 199 239 625 -417 166 -98 -185 1160 149 359 -89 740 -962 501 -712 496 626 -231 643 638 1103 -456 23 -547 327 -65 909 67 -232 721 968 1630 -791 1109 -940 537 -693 -935 276 -302 549 -486 73 -702 605 -1745 -1681 -1979 -1688 -808 -320 154 -401 253 787 1020 986 2209 1193 1018 1664 1005 -169 -1183 571 -512 -266 151 -350 -151 -1614 -467 -1266 -289 -485 276 183 393 -59 1199 1132 119 124 -23 -1140 -932 -1473 -1455 1238 -102 1488 1936 1310 987 109 666 -186 263 -751 -854 -200 -263 -279 -30 -230 -391 555 SS 20221123T123154.2Z 8362.522155 233 1 18.01 2 75.54 199.51 77.76 205.50 0.00 1 0.00 1 0 25 3.122e-01 1.018e-02 2.239e-01 8.320e-03 5.633925e-01 4.392666e-03 7.296242e-03 -6.000000e+00 1.827682e-01 220.48 -2.00 3.88 -2.00 320.21 0.00e+00 1.713266e-03 1.366557e-03 4.142351e-04 -6.000000e+00 7.680655e-03 269.94 -2.00 20.00 -2.00 319.93 0.00e+00 3.922 0.001 302.00 328.00 3 4.2156e+00 1.2324e-02 4.9923e-02 -6.0000e+00 4.5049e-01 1.1659e-01 1.5207e-02 3.1857e-02 -6.0000e+00 4.9177e-01 -3.7772e-02 1.5670e-02 1.7268e-02 -6.0000e+00 2.8966e-01 4.7493e-03 8.2850e-03 5.5928e-03 -6.0000e+00 1.2334e-01 8.0359e-05 -9.6516e-04 2.5434e-04 7.1018e-05 -6.0000e+00 9.5766e-03 -7.9089e-03 0.0000e+00 12 9 9 12 9 1 76.44 22.13 0.32 -0.00791 -0.01516 4 3 1 5 0 3566.901 25.28 20.00 22.13 17.72 30.7 1018.96 -126603 900000 257827 900000 -41432 12891 90470 900000 -76026 110806 -56723 -77365 -13665 -24793 2210 -16443 8467 -17856 33114 -14030 -26638 5474 -21011 22286 17375 41516 -28870 -17107 -11839 -18484 2063 -8423 15002 -268 5272 3888 910 9668 26184 4477 -14 733 3439 -7311 -2964 10321 4084 5090 -2661 10023 2285 4743 -2861 6483 -4335 3065 2375 -901 3824 -979 694 -1915 1759 -1314 70 263 -2141 -1679 680 -709 -352 392 -1731 2199 -2303 3600 356 -1370 2438 -1355 570 -3117 -1438 -206 -2216 -1195 912 -3 -35 233 486 1644 151 1456 -1202 1422 2117 496 -467 -656 510 -794 1021 809 -1045 -339 -1462 -103 -503 361 -175 341 425 360 33 255 1462 -521 -710 -262 -615 -553 -27 -1024 27 105 405 1714 643 -31 -149 517 -215 497 134 -408 352 208 -473 -921 -465 194 895 -2488 900000 2091 900000 -447 105 734 900000 -1439 899 -1040 -1883 -222 -547 46 -481 222 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