File name: Pandora133s1_Heidelberg_20241005_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20241005T231858.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20241005_L1_smca1c3d20240611p1-8.txt Full location name: Institute of Environmental Physics, Heidelberg University Short location name: Heidelberg Country of location: Germany Location latitude [deg]: 49.4173 Location longitude [deg]: 8.6746 Location altitude [m]: 144 Local noon date: 20241005 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 227 368 Nominal wavelengths inside fitting window [nm]: 305.0728 305.2141 305.3553 305.4966 305.6378 305.7790 305.9202 306.0614 306.2026 306.3438 306.4849 306.6261 306.7672 306.9083 307.0494 307.1905 307.3316 307.4727 307.6138 307.7548 307.8959 308.0369 308.1779 308.3189 308.4599 308.6009 308.7418 308.8828 309.0238 309.1647 309.3056 309.4465 309.5874 309.7283 309.8692 310.0100 310.1509 310.2917 310.4326 310.5734 310.7142 310.8550 310.9958 311.1365 311.2773 311.4180 311.5588 311.6995 311.8402 311.9809 312.1216 312.2623 312.4029 312.5436 312.6842 312.8249 312.9655 313.1061 313.2467 313.3872 313.5278 313.6684 313.8089 313.9494 314.0900 314.2305 314.3710 314.5115 314.6519 314.7924 314.9328 315.0733 315.2137 315.3541 315.4945 315.6349 315.7753 315.9157 316.0560 316.1964 316.3367 316.4770 316.6173 316.7576 316.8979 317.0382 317.1784 317.3187 317.4589 317.5991 317.7393 317.8795 318.0197 318.1599 318.3001 318.4402 318.5804 318.7205 318.8606 319.0007 319.1408 319.2809 319.4209 319.5610 319.7010 319.8411 319.9811 320.1211 320.2611 320.4011 320.5410 320.6810 320.8209 320.9609 321.1008 321.2407 321.3806 321.5205 321.6604 321.8002 321.9401 322.0799 322.2198 322.3596 322.4994 322.6392 322.7789 322.9187 323.0585 323.1982 323.3379 323.4776 323.6173 323.7570 323.8967 324.0364 324.1760 324.3157 324.4553 324.5949 324.7346 324.8741 --------------------------------------------------------------------------------------- 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: Spectrometer control temperature [°C], 999=no temperature signal Column 95: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 96: Temperature in head sensor [°C], 999=no temperature signal Column 97: Temperature at electronics board 1 [°C], 999=no temperature signal Column 98: Temperature at electronics board 2 [°C], 999=no temperature signal Column 99: Humidity in head sensor [%], -9=no humidity signal Column 100: Pressure in head sensor [hPa], -9=no pressure signal Columns 101-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-384: 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 20241005T063712.4Z 9044.275837 71 1 48.10 2 80.47 109.30 106.38 98.77 0.00 1 0.00 1 0 25 5.307e-01 1.030e-02 9.469e-02 2.007e-03 7.071699e-01 1.085865e-03 9.270280e-03 -6.000000e+00 3.039610e-01 225.97 -2.00 3.74 -2.00 321.46 0.00e+00 4.115710e-03 5.545415e-04 7.286385e-03 -6.000000e+00 1.321098e-02 278.47 -2.00 20.00 -2.00 320.98 0.00e+00 5.757 0.004 302.00 328.00 3 8.2374e-01 3.7937e-03 7.5755e-02 -6.0000e+00 7.5316e-01 1.0662e-01 5.4545e-03 5.6647e-02 -6.0000e+00 8.1797e-01 -1.8403e-01 5.8300e-03 3.3114e-02 -6.0000e+00 4.8654e-01 6.9619e-02 2.7283e-03 1.1478e-02 -6.0000e+00 2.0863e-01 4.2392e-04 2.6750e-03 5.7093e-05 2.2232e-04 -6.0000e+00 1.4493e-02 2.4951e-02 0.0000e+00 12 9 8 11 8 0 96.27 22.31 0.19 0.02495 0.04505 336 97 2 8 0 138.580 19.99 22.31 15.83 26.32 26.41 1.9 844.88 -100916 -203985 -110071 -209238 -165431 -191089 -163795 -206987 -107379 -180785 -120767 -155702 -82749 -118619 -59012 -66965 -17276 -58415 -24267 -55224 -14673 -57954 -31577 -66396 -15531 -46248 -22925 -49079 -18256 -41126 -3675 -25531 9177 -23658 -6365 -20709 -15254 -15258 5400 -5803 11067 -2421 11565 -500 9694 4557 4641 2055 6398 2269 8441 4455 8567 4292 10011 2774 6877 2700 4851 789 5511 2483 7558 4769 5627 2108 2803 814 3827 2889 4024 2667 3135 1295 728 -2963 -3869 -4307 -1410 -1488 -842 -1045 -1808 -1587 -176 221 1036 1405 1609 759 2264 -1296 -1891 -1808 -1581 -1195 464 335 -24 -460 -1173 -1839 -1054 -1166 -1799 -1526 -1002 -638 268 882 876 250 -55 -769 -441 -129 -227 216 665 266 496 896 855 580 355 -656 355 702 188 101 -348 -283 -478 195 -42 -10 833 428 -229 -78 -517 -720 -375 -2435 -539 -2580 -1230 -1907 -1379 -3038 -652 -2442 -969 -2194 -745 -1997 -693 -1009 -179 -1018 -323 -1048 -187 -1157 -525 -1702 -255 -1086 -426 -1153 -329 -1103 -83 -859 250 -903 -196 -778 -627 -762 270 -345 671 -163 710 -35 635 324 343 165 525 215 855 522 1059 600 1388 429 1035 414 710 122 877 464 1544 1101 1296 497 675 216 1130 976 1433 971 1086 421 214 -828 -1084 -1327 -502 -631 -412 -575 -1072 -1002 -108 142 685 936 1140 508 1396 -795 -1183 -1251 -1164 -1024 454 367 -27 -497 -1163 -1651 -910 -1071 -1772 -1581 -1112 -773 361 1329 1318 387 -84 -1215 -663 -192 -354 354 1137 456 817 1419 1308 853 507 -917 506 1119 342 190 -708 -609 -1093 474 -101 -25 2069 1071 -555 -190 -1199 -1606 SS 20241005T064805.4Z 9044.283396 76 1 48.95 2 78.81 111.48 104.72 100.72 0.00 1 0.00 1 0 25 3.689e-01 8.443e-03 1.137e-01 2.272e-03 6.233130e-01 1.216502e-03 7.813096e-03 -6.000000e+00 2.112199e-01 225.97 -2.00 3.74 -2.00 321.19 0.00e+00 3.025316e-03 5.649285e-04 4.476238e-03 -6.000000e+00 9.183001e-03 278.47 -2.00 20.00 -2.00 320.69 0.00e+00 4.976 0.003 302.00 328.00 3 1.6391e+00 4.0463e-03 6.2509e-02 -6.0000e+00 5.2336e-01 1.7321e-02 5.5266e-03 4.2091e-02 -6.0000e+00 5.6845e-01 -5.6170e-02 5.7476e-03 2.4762e-02 -6.0000e+00 3.3813e-01 1.8482e-02 2.7686e-03 8.9195e-03 -6.0000e+00 1.4494e-01 4.2194e-04 2.3361e-03 6.6606e-05 1.4758e-04 -6.0000e+00 1.0074e-02 2.7239e-02 0.0000e+00 11 8 0 10 0 0 99.92 22.32 0.14 0.02724 0.04479 464 134 2 8 0 100.290 20.00 22.32 16.71 26.32 26.41 1.8 849.84 -96283 -157680 -49756 -157897 -104924 -170015 -76333 -145697 11216 -131827 -47835 -116911 -37656 -77523 -21737 -55992 -7079 -43173 -3377 -45574 5270 -42392 954 -28604 -4994 -32422 80 -29769 -9345 -23720 -3124 -13267 -4 -18864 -7861 -12675 -8262 -11756 3819 -7184 5397 -552 5536 -2652 7289 -577 3883 -1471 4120 1188 5844 2790 6020 163 3593 1996 3098 1129 3739 1324 3072 2142 5747 3269 2438 2176 784 632 1840 1909 1860 1856 1606 -151 -861 -1797 -2789 -2682 -1167 -1946 -1206 -1010 -1791 -1372 -202 452 128 1391 1272 1211 2496 -739 -1862 -567 -1030 -667 780 543 -3 -202 -1020 -1673 -1015 -824 -1859 -1466 -902 -470 517 715 583 128 -136 -444 -562 62 -94 276 325 291 389 869 750 573 316 -605 225 734 15 134 -515 -333 -503 143 -14 32 620 452 -101 -1 -644 -592 -543 -1873 -210 -1844 -676 -2191 -430 -1878 37 -1779 -328 -1766 -334 -1311 -263 -1116 -97 -939 -53 -1147 81 -1067 17 -743 -110 -986 2 -851 -224 -759 -98 -542 0 -857 -334 -600 -433 -710 243 -595 432 -50 494 -261 666 -59 388 -162 453 148 782 425 973 30 673 395 615 224 707 260 639 508 1498 950 712 622 231 199 656 710 739 746 622 -60 -308 -595 -914 -947 -477 -944 -618 -576 -1099 -895 -140 328 97 1051 941 839 1590 -462 -1179 -387 -811 -606 805 623 -4 -227 -1060 -1583 -929 -804 -1952 -1615 -1058 -596 722 1108 899 201 -223 -694 -836 91 -143 444 549 495 641 1378 1150 841 449 -838 316 1136 27 259 -996 -676 -1077 327 -33 80 1559 1144 -249 -1 -1423 -1258 SS 20241005T075639.2Z 9044.331010 115 1 46.29 2 69.07 126.10 94.57 113.06 0.00 1 0.00 1 0 17 2.641e-02 7.683e-03 1.520e-02 1.938e-03 3.577399e-01 9.799680e-04 4.410144e-03 -6.000000e+00 1.512186e-02 225.96 -2.00 3.74 -2.00 318.92 0.00e+00 1.307129e-03 2.219085e-04 4.257154e-04 -6.000000e+00 6.574346e-04 278.47 -2.00 20.00 -2.00 318.28 0.00e+00 2.772 0.000 302.00 328.00 3 4.2351e+00 2.6855e-03 3.3349e-02 -6.0000e+00 3.7468e-02 1.7068e-02 3.0868e-03 1.9335e-02 -6.0000e+00 4.0697e-02 5.0281e-03 2.2172e-03 9.8650e-03 -6.0000e+00 2.4207e-02 -8.6957e-03 1.1688e-03 3.4286e-03 -6.0000e+00 1.0377e-02 3.2774e-04 2.6646e-03 5.7472e-05 3.5118e-05 -6.0000e+00 7.2127e-04 2.7202e-02 0.0000e+00 11 9 0 11 8 0 99.90 22.38 0.05 0.02720 0.04723 81 23 1 8 0 571.350 19.99 22.38 18.35 26.32 26.51 1.8 860.30 -7296 8089 -4580 -5584 -9185 -6718 -14865 -3995 -5760 -1089 -6614 -6237 -6375 -3911 -345 2595 297 4947 -1266 2376 -3895 -1556 -2233 -743 536 -54 -415 -2353 -454 1048 1184 -235 829 -3634 -3448 -3900 -3858 -3489 -773 -1010 -143 -1859 914 -673 1326 -33 -732 -853 -945 355 1467 434 1635 989 878 904 700 418 521 282 1607 1256 2681 1899 127 39 -859 -439 857 666 1162 860 1053 822 142 -1195 -1807 -2445 -1705 -1782 -1421 -1329 -1894 -1266 -407 145 234 1262 1143 738 1891 -840 -856 -441 -186 -421 1033 646 216 -273 -861 -1512 -391 -1021 -1255 -1058 -526 -620 669 729 766 39 300 -894 -316 -326 75 289 786 -267 151 516 568 298 500 -747 724 842 519 61 -444 -517 -181 128 372 -245 764 315 3 -216 -506 -892 -285 297 -191 -216 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