File name: Pandora133s1_Heidelberg_20240925_L2Fit_fout2c3d20240611p1-8.txt File generation date: 20240930T110343.3Z 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_20240925_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: 20240925 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 20240925T075519.7Z 9034.330089 285 1 3.82 2 66.41 122.81 32.39 240.47 0.00 1 0.00 1 0 25 3.709e-02 8.897e-03 2.473e-02 4.550e-03 3.301267e-01 2.306711e-03 4.075367e-03 -6.000000e+00 2.134903e-02 227.34 -2.00 3.74 -2.00 318.18 0.00e+00 1.012638e-03 4.224831e-04 4.249712e-04 -6.000000e+00 9.282927e-04 279.77 -2.00 20.00 -2.00 317.51 0.00e+00 2.480 0.000 302.00 328.00 3 3.7631e+00 6.1919e-03 3.0207e-02 -6.0000e+00 5.3043e-02 2.1397e-02 7.0184e-03 1.7790e-02 -6.0000e+00 5.7541e-02 5.6010e-03 4.6083e-03 8.9052e-03 -6.0000e+00 3.4216e-02 -1.0222e-02 2.3924e-03 2.8150e-03 -6.0000e+00 1.4643e-02 7.1569e-04 2.6478e-03 1.3291e-04 2.8110e-05 -6.0000e+00 1.0133e-03 2.6382e-02 0.0000e+00 12 9 1 12 9 1 99.25 22.57 0.12 0.02638 0.04628 5 22 2 8 0 576.880 20.00 22.57 21.91 26.41 26.62 1.6 881.73 -15468 11537 -10817 18701 -3254 10119 1217 9400 -8773 6335 -16280 1009 -5678 895 -4485 6904 -3211 3206 -637 4926 -5388 -340 -3197 1942 -2081 1895 -2696 591 -4262 4598 -1077 4129 -1842 -2094 -6365 -2923 -3567 -1078 -2039 -429 -860 -4 -651 -866 282 727 486 460 -454 1450 -315 1157 1439 1948 305 1694 1222 1518 -297 -904 1170 1776 3058 1156 -650 -26 -785 -66 1653 -31 528 906 1437 388 128 -473 -2799 -969 -1759 -1065 -1003 -2157 -1948 -1429 -537 -44 452 1241 756 129 1152 -689 -299 -578 -436 20 1501 -335 627 -539 -1007 -1815 -384 -785 -949 -1220 -474 -370 607 432 727 18 17 -371 267 -88 747 541 653 -565 1076 934 751 -94 460 -1062 1010 177 558 12 -403 -775 -172 148 53 -537 998 81 133 -170 -70 -1166 -1029 644 -752 901 -176 497 71 570 -691 445 -1428 83 -574 99 -597 903 -481 480 -103 786 -940 -58 -583 358 -415 378 -550 110 -800 841 -226 902 -456 -514 -1532 -719 -989 -342 -761 -177 -377 -2 -302 -404 131 337 222 210 -210 688 -161 620 806 1134 185 1037 753 923 -181 -562 751 1222 2219 878 -482 -18 -540 -46 1253 -26 460 798 1232 322 99 -339 -1954 -677 -1347 -897 -914 -2112 -1977 -1516 -596 -51 533 1474 887 144 1210 -696 -291 -582 -470 24 1871 -445 835 -698 -1247 -2136 -448 -969 -1222 -1629 -651 -527 900 668 1148 29 26 -536 371 -120 1041 786 996 -882 1653 1419 1113 -135 645 -1458 1365 251 829 19 -645 -1263 -287 256 95 -984 1835 151 244 -305 -123 -2023 SS 20240925T104326.4Z 9034.446834 374 1 3.83 2 51.07 169.24 58.30 276.85 0.00 1 0.00 1 0 17 1.272e-02 9.200e-03 1.050e-02 5.021e-03 2.214552e-01 2.557867e-03 2.772326e-03 -6.000000e+00 7.329390e-03 227.32 -2.00 3.74 -2.00 316.30 0.00e+00 6.660577e-04 2.863343e-04 5.168320e-05 -6.000000e+00 3.184220e-04 279.76 -2.00 20.00 -2.00 315.66 0.00e+00 1.588 0.000 302.00 328.00 3 4.9562e+00 6.6431e-03 1.9663e-02 -6.0000e+00 1.8210e-02 2.8378e-02 7.4234e-03 1.1901e-02 -6.0000e+00 1.9748e-02 -6.4921e-03 4.3105e-03 5.8363e-03 -6.0000e+00 1.1744e-02 -4.0814e-04 2.0239e-03 1.7598e-03 -6.0000e+00 5.0313e-03 6.0616e-04 3.2592e-03 1.4505e-04 1.9315e-05 -6.0000e+00 3.4748e-04 2.0018e-02 0.0000e+00 12 9 1 12 1 1 999.00 22.70 0.32 0.02002 0.04451 2 10 1 8 0 1272.190 20.00 22.70 22.44 26.51 26.73 1.6 885.51 537 -1895 1883 -3289 -2856 -2497 994 550 -1552 714 -2123 -1902 -2543 -703 1644 -664 276 -111 1159 689 752 419 1512 337 -1343 -32 851 -1630 375 1004 1982 3231 692 -2940 -3685 -1789 -3771 -1365 -304 136 -1316 -209 1309 267 145 -628 -640 -14 -1339 1464 1047 843 1238 1450 842 781 470 1204 -312 -243 472 1031 2345 2292 -1896 524 -1918 -686 1109 669 241 389 1604 752 8 -1254 -2314 -529 -1690 -1623 -1623 -2003 -2514 -644 -816 591 -449 1265 793 963 981 -542 -1224 -261 -736 558 688 1514 -201 19 -1209 -1311 -543 -447 -911 -480 -849 -696 746 905 901 97 93 52 -602 126 -508 1103 264 147 -578 480 982 516 57 121 333 1126 56 215 -400 -177 -258 54 -217 266 816 -175 -22 -8 -139 -1520 102 -391 369 -614 -481 -425 177 108 -337 154 -458 -435 -648 -197 499 -217 92 -38 405 248 270 150 558 131 -544 -13 337 -614 133 362 744 1279 293 -1253 -1487 -737 -1737 -703 -178 87 -886 -143 896 184 100 -434 -432 -9 -884 963 724 607 925 1117 658 621 377 950 -246 -195 389 892 2115 2102 -1718 441 -1583 -566 973 637 239 392 1574 719 7 -1054 -1863 -420 -1442 -1504 -1614 -2094 -2723 -716 -958 714 -559 1571 975 1133 1093 -575 -1245 -268 -801 644 848 1954 -262 24 -1467 -1529 -633 -547 -1163 -629 -1153 -965 1063 1333 1347 143 132 70 -782 161 -664 1482 374 213 -844 688 1369 697 76 155 422 1464 76 302 -576 -257 -383 82 -341 427 1327 -287 -36 -12 -218 -2366 SS 20240925T120237.9Z 9034.501827 417 1 47.94 2 51.53 194.69 70.46 289.89 0.00 1 0.00 1 0 25 4.553e-02 1.701e-02 2.313e-02 7.293e-03 2.283230e-01 3.682924e-03 2.835050e-03 -6.000000e+00 2.620203e-02 227.31 -2.00 3.74 -2.00 317.47 0.00e+00 1.414795e-03 5.423224e-04 6.537160e-05 -6.000000e+00 1.139503e-03 279.75 -2.00 20.00 -2.00 316.78 0.00e+00 1.604 0.000 302.00 328.00 3 7.4719e+00 9.7443e-03 2.0055e-02 -6.0000e+00 6.5097e-02 5.3671e-02 1.0964e-02 1.2388e-02 -6.0000e+00 7.0624e-02 8.4613e-03 6.6206e-03 6.0806e-03 -6.0000e+00 4.1996e-02 -8.2879e-03 3.2740e-03 2.1457e-03 -6.0000e+00 1.7969e-02 4.6612e-05 2.2548e-03 2.1613e-04 2.1684e-05 -6.0000e+00 1.2439e-03 2.7782e-02 0.0000e+00 12 8 8 10 0 0 99.92 22.90 -0.12 0.02778 0.04472 27 7 1 8 0 1775.120 20.00 22.90 24.31 26.73 26.94 1.5 895.24 -4394 6853 13962 4033 -16854 32007 -830 -7690 960 535 1084 8486 5262 -3005 -1382 1535 6874 11946 4909 -7175 -5172 -3397 419 -2072 8230 -2379 612 2980 6764 8205 6007 90 -1493 -2297 -5440 -2908 -3674 -7186 203 -3883 -1172 -3687 2059 -1532 -316 -466 -2653 -3443 -2128 1002 3224 2111 451 -861 2915 125 2543 1482 844 -165 2045 -475 2076 1301 -1281 1664 -1643 -688 1489 3032 2306 826 2612 -1310 1533 -1283 -4863 -5994 -2781 -2789 -2670 2306 -3359 -712 -610 1268 97 1802 89 -859 8615 -1896 -2392 -1924 815 -346 1977 2106 -360 253 900 -1634 -1177 -969 -1661 -1769 466 -171 804 535 1168 -1084 -245 -1740 -1278 -610 -1593 -2 367 1333 860 2053 -502 162 582 -1562 -140 613 228 1110 -508 -1218 -543 81 912 146 1135 154 1066 -781 -650 -1101 -555 828 1568 448 -2053 2504 -95 -1037 129 73 146 1130 817 -572 -289 336 1468 2539 1148 -1932 -1360 -880 108 -576 2155 -702 171 758 1585 1943 1552 26 -472 -709 -1627 -882 -1256 -2970 92 -2047 -635 -2117 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