File name: Pandora133s1_Heidelberg_20240807_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T105219.0Z 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_v1d20240405.txt Instrument calibration file used: Pandora133s1_CF_v3d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20240807_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: 20240807 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 20240807T050135.0Z 8985.209433 65 1 47.55 2 82.38 73.84 108.10 55.49 0.00 1 0.00 1 0 17 5.499e-01 2.373e-02 3.940e-01 1.242e-02 8.449017e-01 7.307910e-03 1.080668e-02 -6.000000e+00 3.305161e-01 232.61 -2.00 3.74 -2.00 322.08 0.00e+00 7.247889e-03 4.397755e-03 9.456810e-03 -6.000000e+00 1.534884e-02 283.92 -2.00 20.00 -2.00 321.61 0.00e+00 6.999 0.007 302.00 328.00 3 2.4298e+00 2.9273e-02 9.5300e-02 -6.0000e+00 8.3330e-01 7.4610e-01 3.9989e-02 7.0247e-02 -6.0000e+00 9.0351e-01 -1.0526e+00 3.7092e-02 3.5032e-02 -6.0000e+00 5.3237e-01 4.3136e-01 1.7040e-02 1.0490e-02 -6.0000e+00 2.2492e-01 2.0423e-05 1.8573e-03 3.5820e-04 2.7562e-04 -6.0000e+00 1.5847e-02 1.9099e-02 0.0000e+00 12 9 8 11 8 0 92.30 23.38 0.51 0.01910 0.03305 36 10 4 8 0 1320.570 20.00 23.38 24.79 27.05 27.35 1.5 900.00 -201991 900000 30629 900000 -128893 900000 26929 -44941 -87770 -98837 -75504 900000 -47602 -75310 -51622 -1084 140401 900000 -2498 358385 -86743 -106362 88861 -42889 35334 -25122 -40765 900000 -114461 30765 41931 -1037 33874 900000 108276 131980 -58807 35111 30092 45055 141076 20185 23892 -20291 7615 61938 43 42920 -3074 23104 7653 102826 39797 10653 34288 28014 18980 77565 35661 14401 624 44151 307 19538 223 44008 18090 7384 5032 34665 10780 21174 2395 5270 6426 22503 -22650 11782 -6337 6006 -4749 16623 -6488 1060 -3056 -2720 -4821 10785 -1848 36 2343 -7314 -6446 399 -5119 -1407 -361 1718 -1578 -1137 -268 865 -3402 -890 -4010 -2196 -1765 -1800 -541 687 -715 -1700 -988 2016 -885 -833 -930 639 -805 1536 839 2943 1626 462 2002 8 623 1925 576 1779 -1069 262 -890 262 -605 567 1178 65 -37 -702 -764 -1159 -7690 900000 370 900000 -2038 900000 326 -543 -1061 -1291 -913 900000 -599 -1603 -1074 -16 1698 900000 -45 4334 -3441 -4939 1075 -1120 445 -582 -1068 900000 -5814 450 676 -30 785 900000 1309 1596 -3414 973 1046 1544 2077 997 1168 -1544 441 2122 3 1925 -232 1478 644 3839 2908 1117 2937 2611 1932 4404 2821 1401 74 3849 48 2796 38 4967 2734 1336 1022 6166 2482 4588 569 1152 1234 3356 -5284 2155 -1670 1683 -1665 5331 -2818 454 -1458 -1361 -2547 4925 -937 17 1002 -3329 -2984 193 -3093 -972 -291 1539 -1459 -1046 -223 636 -2481 -668 -3315 -1884 -1633 -1845 -625 864 -1006 -2512 -1443 2762 -1202 -1131 -1320 945 -1263 2344 1236 4233 2291 634 2627 11 833 2888 975 3359 -2281 591 -2087 654 -1616 1535 3218 180 -98 -1819 -1847 -2667 SS 20240807T054545.0Z 8985.240104 71 1 49.98 2 75.37 81.94 102.21 64.65 0.00 1 0.00 1 0 17 1.466e-01 6.786e-03 1.671e-02 6.989e-04 5.209467e-01 3.704635e-04 6.407647e-03 -6.000000e+00 8.617064e-02 232.61 -2.00 3.74 -2.00 320.25 0.00e+00 1.974662e-03 1.308618e-04 2.081312e-03 -6.000000e+00 3.734230e-03 283.92 -2.00 20.00 -2.00 319.60 0.00e+00 3.877 0.001 302.00 328.00 3 1.0099e+00 1.1148e-03 4.8860e-02 -6.0000e+00 2.1655e-01 -4.1663e-03 1.3799e-03 3.0933e-02 -6.0000e+00 2.3372e-01 -1.2847e-02 1.2288e-03 1.6366e-02 -6.0000e+00 1.3872e-01 -3.4334e-03 6.2287e-04 5.3364e-03 -6.0000e+00 5.9012e-02 2.3817e-03 2.6668e-03 2.0391e-05 6.9716e-05 -6.0000e+00 4.0098e-03 1.8152e-02 0.0000e+00 11 9 0 11 8 0 63.19 23.39 0.16 0.01815 0.03819 768 204 2 8 0 61.690 20.01 23.39 26.19 27.05 27.35 1.5 909.28 -52717 -48746 -39151 -52718 -48131 -58955 -46595 -50989 -41965 -44074 -39283 -36336 -27912 -20374 -9154 -9593 -6734 -8295 -6019 -6333 -7099 -7594 -4146 -7393 -4374 -8747 -8986 -9368 -9163 -6872 -4171 -1851 -1169 -5189 -6200 -7397 -5941 -3642 -1312 -386 55 65 -181 672 1121 470 62 150 -445 867 1276 1380 1909 1896 1716 1489 1205 823 87 391 1184 2127 2919 2871 947 736 -638 -234 908 1025 1096 1111 892 904 -422 -1043 -2431 -2278 -1742 -1779 -1341 -1636 -1974 -912 -314 206 666 1505 1415 1160 788 -313 -959 -592 -786 -281 796 579 72 -226 -888 -1437 -695 -549 -1329 -898 -806 -334 450 801 682 230 157 -387 -366 1 -98 295 425 -35 219 582 514 256 238 -750 494 713 70 66 -397 -463 -363 114 29 -70 682 316 -113 -67 -216 -619 -607 -608 -462 -665 -538 -759 -591 -771 -652 -742 -659 -688 -607 -510 -249 -301 -225 -308 -234 -259 -297 -324 -184 -368 -205 -494 -460 -506 -493 -403 -252 -126 -89 -412 -473 -602 -548 -397 -171 -58 9 11 -33 122 205 88 12 29 -90 188 306 362 540 576 544 490 404 273 28 129 415 823 1152 1217 403 328 -287 -101 440 562 642 662 516 488 -209 -514 -1166 -1146 -919 -1093 -937 -1272 -1638 -798 -272 187 627 1428 1317 1014 694 -261 -789 -517 -718 -293 935 753 90 -289 -1051 -1559 -732 -618 -1609 -1137 -1084 -446 652 1270 1147 390 257 -597 -533 1 -146 463 705 -60 362 932 795 378 338 -1113 728 1061 116 120 -715 -870 -714 238 60 -150 1480 696 -243 -145 -449 -1245 SS 20240807T061503.2Z 8985.260453 75 1 50.92 2 70.63 87.38 98.03 70.43 0.00 1 0.00 1 0 17 4.245e-02 6.897e-03 4.245e-03 4.199e-04 4.053506e-01 2.175867e-04 4.950313e-03 -6.000000e+00 2.493549e-02 232.61 -2.00 3.74 -2.00 319.21 0.00e+00 1.251495e-03 5.438038e-05 7.169314e-04 -6.000000e+00 1.081108e-03 283.92 -2.00 20.00 -2.00 318.49 0.00e+00 2.980 0.000 302.00 328.00 3 1.1040e+00 6.0961e-04 3.7260e-02 -6.0000e+00 6.2663e-02 -6.6259e-03 7.0746e-04 2.2722e-02 -6.0000e+00 6.7642e-02 -5.6013e-03 5.2837e-04 1.1404e-02 -6.0000e+00 4.0148e-02 -4.3046e-03 2.7690e-04 3.6214e-03 -6.0000e+00 1.7070e-02 5.7745e-03 2.2302e-03 1.2308e-05 3.6373e-05 -6.0000e+00 1.1611e-03 2.1218e-02 0.0000e+00 11 8 0 10 0 0 99.53 23.45 0.16 0.02122 0.03798 1181 314 2 8 0 40.120 20.01 23.45 27.32 27.15 27.35 1.5 917.50 -13897 -8827 -9737 -12861 -18157 -16492 -18175 -12174 -10919 -11221 -13260 -9996 -7996 -3833 -4050 -1094 -1547 -885 -689 527 -951 -697 -1419 -1031 -1892 -973 -2638 -2885 -4556 -2219 -2004 97 46 -2951 -4381 -4207 -4271 -1852 -1007 -484 -608 239 24 529 550 724 -112 78 -704 728 685 1155 1253 1084 963 1423 736 469 26 460 967 1865 2516 2428 402 625 -828 -227 748 764 708 1030 814 922 -93 -596 -2176 -1927 -1690 -1755 -1466 -1835 -2136 -1017 -529 69 377 1175 1044 941 788 -219 -747 -307 -523 -87 778 651 -48 -164 -983 -1436 -625 -486 -1295 -804 -768 -338 441 692 692 208 116 -371 -309 0 -57 459 519 -80 197 508 487 335 324 -617 584 762 156 167 -360 -417 -263 231 139 -81 677 265 -223 -175 -352 -758 -399 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