File name: Pandora133s1_Heidelberg_20241210_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20241211T000111.7Z 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_20241210_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: 20241210 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 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900000 23128 52711 318398 -9384 55145 -42057 132186 26070 9952 57131 67935 100660 128908 900000 36220 60360 -24220 13446 2130 106609 20215 5693 26061 38367 8247 11122 900000 39659 14363 532 -21886 -74 -4184 -10162 12677 10782 5459 19791 19042 7800 17663 23082 6350 16373 -17821 -10461 -19121 -7028 -17268 -117 28647 13102 -9571 -4940 -6456 1321 8801 -831 -9592 11372 -6914 -5591 3424 -3536 -3601 1458 3162 -2030 -3879 383 -5936 42 -13637 -6983 2977 6377 -854 1318 2586 3223 -4934 6720 -5364 3002 3347 -7243 2625 2317 1612 4609 5785 1369 -6144 11811 -2888 4065 2806 -873 1488 251 954 -2165 1446 -988 -3138 932 -264 2519 -122 -2629 -1250 -1682 900000 900000 900000 900000 900000 900000 -7851 900000 3628 900000 900000 900000 41 900000 -4529 900000 900000 1752 900000 -2999 -1406 900000 1400 900000 -17365 900000 7046 900000 900000 900000 1334 2501 8654 -774 2543 -5657 4046 2803 1485 5887 6576 7133 6692 900000 4352 5633 -5153 2037 388 7884 3760 1323 5426 7601 2296 3088 900000 7782 3507 152 -8363 -25 -1613 -4105 3971 3452 1926 6917 7552 3686 7769 9285 2804 5966 -8136 -4220 -8712 -3219 -10093 -66 13843 7785 -7526 -3980 -5565 1088 6839 -687 -8170 7407 -5070 -3993 2403 -2970 -3410 1491 3485 -2412 -4484 397 -5937 39 -15092 -7724 3120 6860 -1061 1745 3736 4915 -8278 9828 -8351 4074 4457 -10891 3757 3491 2469 6712 8021 1929 -8883 13898 -3730 4921 3706 -1318 2392 431 1698 -4154 2839 -2081 -6912 1994 -572 5154 -243 -5037 -2268 SS 20241210T090642.0Z 9110.379652 154 1 2.13 2 78.08 149.27 118.51 39.69 0.00 1 0.00 1 0 25 3.318e-01 9.871e-03 2.174e-01 5.245e-03 5.630695e-01 2.695894e-03 6.907888e-03 -6.000000e+00 1.867103e-01 220.93 -2.00 3.74 -2.00 320.51 0.00e+00 5.340567e-03 9.873580e-04 1.968420e-03 -6.000000e+00 7.983536e-03 270.24 -2.00 20.00 -2.00 320.08 0.00e+00 4.695 0.002 302.00 328.00 3 1.0668e+00 7.9624e-03 5.4779e-02 -6.0000e+00 4.5883e-01 8.2923e-02 1.0073e-02 3.0677e-02 -6.0000e+00 5.0038e-01 -6.3192e-02 1.0256e-02 2.0790e-02 -6.0000e+00 2.9732e-01 1.0977e-02 5.2482e-03 1.1390e-02 -6.0000e+00 1.2828e-01 1.0131e-03 2.4358e-03 1.5157e-04 1.2255e-04 -6.0000e+00 9.0372e-03 1.0197e-02 0.0000e+00 12 9 9 12 1 1 71.42 21.67 0.22 0.01020 0.02850 17 114 2 8 0 117.790 19.98 21.67 11.08 25.68 25.90 2.0 813.22 85642 -106164 213948 -121819 52645 -130341 139403 -78078 18185 -73333 -16135 -76091 13954 -49406 9884 -39420 7924 -2091 -17917 -31775 24734 -25418 46802 -20777 9865 -25119 3499 -18765 160 -22468 1411 1291 5277 -8887 -303 -8637 -3157 -4252 1443 -2308 1830 206 25908 1483 3556 694 -4960 -1111 728 328 6917 2763 3144 -2396 3062 2139 867 -2759 931 -1604 1449 2874 5153 3518 2334 1254 -369 -176 670 966 1197 1002 662 1261 -35 -2635 -3104 -4860 -2828 -1907 -1231 -1020 -2011 -1495 -14 1484 398 1537 1027 1274 76 -934 -1571 -1105 -1028 -358 956 1410 -190 -196 -472 -1157 -1029 -416 -1044 -937 -677 -388 431 899 500 -20 -56 -283 -1260 328 -365 652 528 152 446 1436 428 346 168 -737 -281 712 36 65 -1152 229 -824 241 -194 83 682 762 45 69 -438 -862 438 -1727 1094 -2294 269 -2484 713 -1071 111 -1125 -153 -1486 150 -1217 168 -1283 179 -57 -616 -1258 586 -999 946 -884 326 -1232 129 -838 6 -1196 71 75 321 -634 -20 -605 -238 -387 151 -292 243 30 3013 225 540 111 -860 -192 129 63 1384 606 746 -645 812 589 245 -793 252 -451 422 926 1840 1391 932 488 -146 -73 311 486 644 548 351 618 -16 -1145 -1307 -2201 -1452 -1093 -805 -714 -1514 -1188 -11 1299 366 1419 935 1087 61 -739 -1230 -887 -938 -360 1090 1718 -242 -238 -549 -1224 -1088 -447 -1206 -1136 -842 -518 607 1397 806 -32 -90 -440 -1869 487 -546 1021 874 257 730 2254 657 526 247 -1049 -400 1102 61 116 -2227 443 -1687 503 -432 189 1534 1729 103 151 -936 -1777 SS 20241210T100638.6Z 9110.421280 180 1 45.46 2 74.12 162.88 111.46 53.48 0.00 1 0.00 1 0 33 9.599e-02 1.162e-02 7.056e-02 5.350e-03 4.350845e-01 2.697604e-03 5.400124e-03 -6.000000e+00 5.432199e-02 220.93 -2.00 3.74 -2.00 319.64 0.00e+00 2.229790e-03 7.420672e-04 9.434199e-04 -6.000000e+00 2.337018e-03 270.23 -2.00 20.00 -2.00 319.18 0.00e+00 3.594 0.001 302.00 328.00 3 5.0514e+00 7.5161e-03 4.1883e-02 -6.0000e+00 1.3339e-01 1.1719e-01 8.8394e-03 2.3211e-02 -6.0000e+00 1.4557e-01 -4.2815e-02 7.4256e-03 1.2873e-02 -6.0000e+00 8.6230e-02 1.0398e-02 3.9542e-03 5.1847e-03 -6.0000e+00 3.7041e-02 5.8903e-05 1.4935e-03 1.5892e-04 5.5595e-05 -6.0000e+00 2.6223e-03 1.8191e-02 0.0000e+00 12 9 9 12 1 1 99.99 21.67 0.54 0.01819 0.02941 22 7 4 8 0 1976.000 19.99 21.67 11.22 25.68 25.90 2.0 813.92 -22263 -22730 10001 32169 -52968 900000 258 -47367 -10290 -20303 2257 -4395 1095 -13210 -21953 4090 18088 40083 -8196 10323 -15336 -17174 10157 -2070 -569 -17897 -4043 -691 941 13997 7276 1832 -948 -2406 -12067 -1304 -4481 -3470 -2099 -608 -3174 875 -775 -3974 8314 3178 -3115 -770 -2045 -1074 2444 4115 4001 2783 1941 -233 -912 9544 602 532 161 -977 656 1260 -825 1332 -1410 470 1609 2712 1839 1903 875 1449 236 -2544 -3904 -3793 -2834 -2601 -759 1422 -1576 -1230 -1914 -684 423 1545 532 584 2088 -96 -3221 -889 -1222 -483 828 1476 478 -193 -760 -2104 -134 -1816 -1438 -546 5 -61 1208 578 1474 -118 -38 -1193 -901 -439 -918 316 862 629 940 288 1320 -415 1123 -696 782 -3 -222 -214 -465 -869 -494 91 554 -196 1038 597 451 -287 -530 -1278 -525 -596 198 482 -1618 900000 5 -1686 -286 -646 60 -138 39 -654 -1385 229 947 1825 -618 686 -1297 -1480 717 -175 -50 -1919 -377 -59 78 1107 692 205 -121 -312 -1618 -164 -653 -588 -421 -139 -795 221 -206 -1100 2073 841 -869 -213 -584 -321 765 1371 1431 1060 770 -97 -386 3641 243 217 70 -467 339 690 -451 678 -723 244 924 1704 1246 1310 590 918 138 -1394 -2071 -2067 -1712 -1773 -570 1153 -1367 -1125 -1877 -694 441 1618 552 578 1891 -83 -2805 -785 -1195 -521 981 1896 627 -245 -911 -2376 -146 -2104 -1757 -692 7 -85 1786 918 2422 -196 -61 -1825 -1308 -626 -1342 483 1379 1022 1512 453 2021 -621 1596 -972 1070 -5 -353 -360 -821 -1579 -922 178 1126 -411 2187 1266 942 -585 -1042 -2464 SS 20241210T102715.4Z 9110.435594 192 1 47.51 2 73.28 167.74 108.72 57.85 0.00 1 0.00 1 0 17 2.811e-01 3.152e-02 1.688e-01 1.535e-02 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