File name: Pandora133s1_Heidelberg_20240923_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T110225.3Z 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_20240923_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: 20240923 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 20240923T062704.3Z 9032.268800 225 1 47.48 2 79.03 103.55 37.71 247.11 0.00 1 0.00 1 0 25 3.043e-01 1.214e-02 1.593e-01 4.496e-03 5.780830e-01 2.396247e-03 7.290901e-03 -6.000000e+00 1.765723e-01 227.62 -2.00 3.74 -2.00 320.88 0.00e+00 3.292621e-03 1.025075e-03 3.797798e-03 -6.000000e+00 7.711549e-03 280.04 -2.00 20.00 -2.00 320.33 0.00e+00 5.065 0.003 302.00 328.00 3 3.3366e+00 7.6751e-03 6.0895e-02 -6.0000e+00 4.3862e-01 5.2772e-02 1.0040e-02 3.7460e-02 -6.0000e+00 4.7577e-01 -8.9785e-02 9.8344e-03 2.1571e-02 -6.0000e+00 2.8208e-01 3.3875e-02 4.8240e-03 7.7417e-03 -6.0000e+00 1.2034e-01 7.4026e-05 2.5213e-03 1.3281e-04 1.1966e-04 -6.0000e+00 8.3366e-03 2.4091e-02 0.0000e+00 12 8 8 10 0 0 98.99 22.80 0.16 0.02409 0.04304 34 9 2 8 0 1396.110 20.00 22.80 22.16 26.62 26.83 1.6 882.93 -127474 9372 -96235 -109552 -141057 900000 -69286 -106282 -102519 -86275 -97626 28952 -28112 -30226 -105217 -24130 18651 12914 -6892 -41776 -557 -30946 -22135 39593 -12973 -30495 -6031 -3974 -5356 6496 29358 -7899 -4738 -5612 -15495 -9827 -8770 -9196 4833 -9310 4097 105 3606 -3987 5896 2887 3533 -1997 -886 5784 9124 7078 2441 643 8353 645 6327 -649 541 -2841 3067 -1193 3359 2257 1221 1919 1070 538 2892 4312 3283 958 3483 505 738 -1582 -5456 -4106 -3813 -2427 -1838 2288 -3025 -2150 91 -99 -10 1355 889 13 8258 -1324 -1826 -1686 202 -1042 1407 787 -240 -897 -1153 -1607 -749 -948 -2162 -2220 -75 -852 977 327 718 -639 -194 -794 -332 -185 -58 373 990 -33 578 1281 1110 229 975 -819 332 893 330 -256 -99 -735 -440 258 156 102 957 -75 323 -189 -397 -1198 -1666 41 -1102 -1333 -2164 900000 -616 -1506 -1562 -1194 -1583 167 -353 -484 -4155 -514 293 236 -161 -1421 -13 -976 -688 746 -423 -1228 -193 -121 -168 206 882 -389 -255 -306 -889 -563 -567 -721 399 -1021 429 12 420 -510 697 360 447 -276 -127 845 1443 1244 485 140 1755 152 1424 -154 125 -690 755 -341 1030 757 410 625 351 188 1118 1859 1513 458 1578 219 293 -587 -2048 -1624 -1737 -1268 -1077 1432 -2091 -1572 70 -80 -8 1136 733 11 5651 -943 -1298 -1284 171 -1004 1508 925 -289 -1044 -1256 -1625 -740 -995 -2430 -2605 -91 -1113 1373 499 1156 -1045 -311 -1216 -488 -269 -86 585 1616 -55 940 2020 1709 343 1406 -1169 476 1381 561 -472 -192 -1479 -922 566 358 239 2264 -180 754 -428 -866 -2560 SS 20240923T071700.1Z 9032.303474 249 1 41.27 2 71.35 113.75 45.19 258.95 0.00 1 0.00 1 0 17 1.016e-01 1.356e-02 4.957e-02 5.249e-03 3.712005e-01 2.672740e-03 4.552703e-03 -6.000000e+00 5.850778e-02 227.62 -2.00 3.74 -2.00 319.11 0.00e+00 2.733962e-03 6.347387e-04 4.265867e-04 -6.000000e+00 2.545008e-03 280.04 -2.00 20.00 -2.00 318.45 0.00e+00 3.088 0.001 302.00 328.00 3 5.5614e+00 7.4020e-03 3.6415e-02 -6.0000e+00 1.4544e-01 8.2544e-02 8.5341e-03 2.0322e-02 -6.0000e+00 1.5776e-01 -4.3673e-02 6.1547e-03 1.0444e-02 -6.0000e+00 9.3806e-02 1.1549e-02 3.2307e-03 4.3260e-03 -6.0000e+00 4.0113e-02 6.1932e-05 2.0373e-03 1.5626e-04 4.3441e-05 -6.0000e+00 2.7753e-03 2.9140e-02 0.0000e+00 12 9 9 12 1 1 99.99 22.82 0.24 0.02914 0.04445 13 4 1 8 0 2946.710 20.00 22.82 23.29 26.62 26.83 1.6 889.49 -15950 -6231 38212 4291 -59162 71997 -22360 -12886 3060 -12782 -7876 19969 11398 -15127 -9713 -3873 11658 5670 7844 -12763 3739 -13992 -9217 -3300 9647 -5974 -2074 5489 -360 4421 15611 -3386 7902 282 -8338 -4740 6785 -4561 -247 -3821 955 -891 4223 -2993 3661 2712 2964 -2924 -1055 -960 2505 2721 2212 -368 486 -28 3050 -3374 -586 500 3296 1192 1802 937 -402 2796 688 989 -5 2471 1042 1383 2567 2049 -835 -1426 -4654 -4325 -2811 -2845 -2907 -3941 -2320 -1907 -1264 -104 943 1750 1356 -791 6759 -625 -894 -440 426 -337 973 1490 616 -602 -966 -2038 -583 -1327 -1515 -1261 534 43 609 735 849 -812 68 -678 209 -940 -722 408 1076 308 326 1051 547 -243 446 -1267 -422 1395 481 -191 -426 -902 -25 546 567 41 1308 44 314 -1024 -750 -679 -654 -252 1028 146 -3336 1209 -984 -576 129 -642 -383 829 610 -1225 -864 -362 998 543 770 -1581 396 -1755 -1158 -416 1116 -834 -273 639 -43 544 1917 -548 1258 47 -1441 -827 1198 -1053 -65 -1179 300 -298 1384 -1052 1224 918 992 -1035 -370 -353 968 1117 973 -173 233 -14 1468 -1700 -285 244 1665 665 1087 597 -249 1596 391 577 -3 1747 788 1057 1895 1437 -554 -866 -2779 -2642 -1875 -2136 -2415 -3559 -2172 -1874 -1318 -113 1041 1944 1490 -836 6274 -578 -800 -410 430 -377 1184 1936 814 -770 -1173 -2339 -659 -1600 -1922 -1659 724 62 912 1167 1389 -1332 107 -1013 296 -1325 -1043 614 1692 497 522 1644 834 -359 636 -1771 -582 2013 745 -314 -723 -1573 -45 1018 1100 82 2617 90 629 -2004 -1426 -1269 SS 20240923T072222.0Z 9032.307199 252 1 49.58 2 70.56 114.89 46.02 260.09 0.00 1 0.00 1 0 17 2.744e-02 7.167e-03 3.511e-03 5.193e-04 3.560927e-01 2.637745e-04 4.402716e-03 -6.000000e+00 1.581140e-02 227.62 -2.00 3.74 -2.00 318.69 0.00e+00 1.188244e-03 5.621438e-05 4.102617e-04 -6.000000e+00 6.875231e-04 280.03 -2.00 20.00 -2.00 318.02 0.00e+00 2.970 0.000 302.00 328.00 3 1.7352e+00 7.1876e-04 3.5004e-02 -6.0000e+00 3.9306e-02 -2.4973e-03 8.2283e-04 1.9440e-02 -6.0000e+00 4.2629e-02 -2.7585e-04 5.7342e-04 9.7611e-03 -6.0000e+00 2.5347e-02 -5.4595e-03 3.0032e-04 3.2056e-03 -6.0000e+00 1.0844e-02 3.3750e-03 2.3731e-03 1.5307e-05 3.3031e-05 -6.0000e+00 7.4969e-04 2.6145e-02 0.0000e+00 11 8 0 10 0 0 99.78 22.82 0.16 0.02614 0.04398 497 132 2 8 0 95.330 20.01 22.82 23.49 26.62 26.83 1.6 891.89 -5193 -3774 -5359 -8610 -10778 -11406 -9121 -7991 -5944 -8425 -9007 -9946 -5777 -2978 -1748 -641 18 626 1029 1192 250 175 702 -67 -728 -112 -751 -1652 -2096 -619 -502 836 656 -2500 -3908 -3858 -4357 -2031 -964 -573 -690 121 -152 304 553 617 181 -58 -655 632 569 1019 1109 1110 1010 1229 693 557 230 633 967 1678 2495 2143 321 411 -870 -489 754 552 626 836 798 788 -90 -779 -1868 -1905 -1398 -1629 -1394 -1870 -2190 -1170 -674 9 380 1170 1054 802 822 -337 -741 -244 -421 -78 903 607 -11 -171 -961 -1475 -589 -475 -1305 -832 -732 -335 550 823 743 208 164 -477 -367 26 -26 364 543 -99 143 466 577 356 430 -627 651 808 242 177 -273 -371 -273 235 194 -63 712 295 -216 -247 -456 -865 -231 -180 -262 -397 -463 -503 -432 -423 -341 -512 -556 -688 -413 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