File name: Pandora133s1_Heidelberg_20240729_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T105155.1Z 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_20240729_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: 20240729 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 20240729T044959.8Z 8976.201387 170 1 47.23 2 82.49 70.04 32.43 145.73 0.00 1 0.00 1 0 25 6.059e-01 1.622e-02 3.807e-01 8.228e-03 9.137585e-01 4.920138e-03 1.229134e-02 -6.000000e+00 3.645693e-01 233.02 -2.00 3.74 -2.00 322.26 0.00e+00 4.692417e-03 3.169416e-03 1.598376e-02 -6.000000e+00 1.725604e-02 283.84 -2.00 20.00 -2.00 321.81 0.00e+00 7.089 0.007 302.00 328.00 3 1.5720e+00 2.1044e-02 1.1862e-01 -6.0000e+00 9.2322e-01 4.9666e-01 3.2745e-02 1.1083e-01 -6.0000e+00 1.0013e+00 -7.1480e-01 3.4604e-02 5.2684e-02 -6.0000e+00 5.9122e-01 2.7908e-01 1.5262e-02 1.3397e-02 -6.0000e+00 2.4924e-01 4.4168e-05 2.8466e-03 2.3463e-04 4.2481e-04 -6.0000e+00 1.7305e-02 2.6676e-02 0.0000e+00 12 9 8 11 8 0 26.44 22.78 0.45 0.02668 0.04807 85 23 4 8 0 555.570 20.00 22.78 20.51 26.51 26.83 1.7 873.46 -278875 -144612 900000 900000 -229862 -205722 900000 -90263 -228087 900000 -96310 900000 -111685 -83569 -134545 900000 900000 900000 -35824 86907 -88489 -148265 23355 -103746 -89846 -76675 -101672 51895 -110714 -93579 -66071 74556 -13309 1335 -4007 156712 -105151 23760 -7189 10974 -8132 38343 -813 30406 -8126 41772 -67267 5384 -9782 7002 -6734 38606 19568 11621 38128 18140 19745 48589 25879 15717 9171 32128 31586 17720 7643 22463 5317 12969 4785 14567 10816 13139 6927 7973 -6845 -1457 -11075 -10889 -2244 2137 -3685 11821 -2244 1785 1806 2207 679 5430 130 2973 1612 -4003 -6233 1756 -2561 -1736 903 337 -1631 103 -256 -3069 -2309 -2468 -2385 -3033 10 -179 -234 179 429 -1352 -384 -1434 -593 -838 -101 932 36 748 1239 2314 1966 -1070 1321 100 945 731 161 32 -731 -128 -270 80 295 -8 920 473 323 -777 -349 -1219 -3452 -1158 900000 900000 -1841 -1648 900000 -723 -2159 900000 -771 900000 -895 -669 -1666 900000 900000 900000 -287 696 -1095 -3347 187 -1738 -1374 -1167 -1955 416 -2394 -2099 -1429 597 -235 20 -61 1255 -4824 400 -202 299 -293 921 -30 828 -332 1071 -4898 224 -517 353 -448 1825 1238 866 2291 1380 1487 2647 1700 1146 771 2471 2859 2058 1004 2573 762 1891 798 2493 2040 2421 1281 1456 -1288 -240 -2049 -2276 -525 526 -1132 3529 -830 677 733 937 302 2321 57 1191 616 -1586 -2642 784 -1423 -1140 683 289 -1475 87 -198 -2170 -1553 -1761 -1808 -2452 9 -171 -257 225 596 -1991 -558 -2042 -811 -1156 -145 1396 56 1147 1800 3185 2625 -1419 1665 124 1227 1098 283 63 -1621 -303 -631 200 783 -23 2526 1303 849 -1920 -872 -2930 SS 20240729T053508.6Z 8976.232739 176 1 50.28 2 75.44 78.24 29.28 164.92 0.00 1 0.00 1 0 25 1.857e-01 7.043e-03 1.760e-02 6.593e-04 5.484744e-01 3.508095e-04 6.755739e-03 -6.000000e+00 1.091741e-01 233.02 -2.00 3.74 -2.00 320.39 0.00e+00 2.035693e-03 1.299529e-04 2.580370e-03 -6.000000e+00 4.728330e-03 283.84 -2.00 20.00 -2.00 319.75 0.00e+00 3.895 0.001 302.00 328.00 3 8.2851e-01 1.0662e-03 5.0346e-02 -6.0000e+00 2.7463e-01 -2.0704e-03 1.3421e-03 3.3322e-02 -6.0000e+00 2.9645e-01 -1.6430e-02 1.2299e-03 1.7863e-02 -6.0000e+00 1.7588e-01 -2.8879e-03 6.1732e-04 5.8313e-03 -6.0000e+00 7.4642e-02 2.7062e-03 3.0764e-03 1.9043e-05 7.8666e-05 -6.0000e+00 5.0816e-03 2.6666e-02 0.0000e+00 11 8 0 10 0 0 38.66 22.78 0.16 0.02667 0.04978 919 244 2 8 0 51.560 20.01 22.78 24.70 26.62 26.83 1.6 902.13 -57101 -67763 -50896 -65329 -71244 -76183 -59411 -63263 -52164 -50988 -49408 -44911 -28800 -26703 -17988 -14241 -11422 -9630 -6583 -6214 -6708 -10034 -8427 -11059 -8144 -10071 -9331 -11303 -11224 -8322 -4758 -3901 -1884 -6629 -6351 -7974 -7249 -3726 -1323 -685 -64 241 329 662 1446 621 204 307 -696 768 1555 1731 2037 1607 1829 1808 1102 1135 704 1006 1527 2279 3181 2756 977 840 -767 -9 1101 1066 1184 1241 1064 786 -697 -1199 -2701 -2282 -1928 -1918 -1460 -1710 -2132 -790 -348 354 635 1456 1362 1101 612 -462 -984 -649 -632 -226 956 656 -29 -149 -970 -1421 -663 -585 -1369 -854 -743 -229 487 796 626 184 83 -473 -399 -143 -67 405 472 -73 261 632 554 399 140 -811 512 611 71 16 -465 -466 -384 85 54 -42 756 379 -95 -30 -318 -648 -540 -802 -527 -727 -788 -926 -684 -866 -718 -734 -740 -762 -524 -594 -447 -392 -337 -306 -217 -215 -235 -372 -333 -488 -372 -492 -449 -530 -533 -434 -282 -240 -128 -470 -429 -584 -610 -367 -156 -93 -9 37 53 108 238 105 35 54 -130 154 345 420 536 455 539 552 344 348 212 307 499 827 1286 1098 389 352 -328 -4 513 561 663 703 582 400 -325 -559 -1240 -1109 -993 -1151 -997 -1296 -1725 -673 -293 313 580 1337 1221 1002 519 -374 -790 -560 -572 -234 1117 846 -39 -187 -1125 -1510 -688 -651 -1634 -1065 -987 -302 703 1258 1049 311 135 -726 -580 -206 -100 638 784 -123 428 1003 848 583 213 -1194 755 918 119 29 -850 -889 -769 181 114 -90 1663 842 -205 -65 -663 -1310 SS 20240729T060408.6Z 8976.252878 180 1 51.29 2 70.79 83.53 28.52 178.54 0.00 1 0.00 1 0 25 5.599e-02 7.077e-03 3.710e-03 3.259e-04 4.284426e-01 1.694246e-04 5.180170e-03 -6.000000e+00 3.291044e-02 233.01 -2.00 3.74 -2.00 319.34 0.00e+00 1.302301e-03 4.424959e-05 9.301287e-04 -6.000000e+00 1.425322e-03 283.84 -2.00 20.00 -2.00 318.62 0.00e+00 3.003 0.001 302.00 328.00 3 5.7498e-01 4.8040e-04 3.8309e-02 -6.0000e+00 8.2787e-02 -4.6696e-03 5.5985e-04 2.4010e-02 -6.0000e+00 8.9364e-02 -7.8624e-03 4.2597e-04 1.2220e-02 -6.0000e+00 5.3019e-02 -3.9820e-03 2.2234e-04 4.0300e-03 -6.0000e+00 2.2501e-02 9.2567e-03 3.0367e-03 9.5757e-06 4.1845e-05 -6.0000e+00 1.5318e-03 2.6471e-02 0.0000e+00 11 8 0 10 0 0 51.79 22.86 0.16 0.02647 0.04929 1801 479 2 8 0 26.310 20.01 22.86 26.83 26.62 26.94 1.5 913.98 -17932 -10800 -14847 -19329 -23654 -23092 -21090 -16266 -14811 -15812 -16838 -13404 -11854 -5891 -3734 -2809 -2809 -1435 -1265 -188 -2066 -1839 -2534 -1573 -2366 -1929 -3202 -4433 -4503 -2818 -1877 -382 -578 -3505 -4984 -4966 -4288 -1983 -966 -536 -263 329 217 748 763 689 289 93 -441 715 840 1223 1431 1195 1228 1449 735 565 294 530 1117 1917 2685 2287 608 533 -988 -215 744 760 872 972 908 773 -154 -943 -2178 -2009 -1624 -1751 -1305 -1928 -2065 -1083 -514 88 459 1194 1192 897 615 -405 -707 -491 -550 -132 835 580 -44 -203 -1007 -1432 -525 -579 -1303 -797 -770 -267 579 813 703 233 130 -485 -284 -49 -35 403 548 -108 265 533 546 343 302 -671 641 629 185 86 -377 -414 -251 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