File name: Pandora133s1_Heidelberg_20241016_L2Fit_fout2c4d20240611p1-8.txt File generation date: 20250704T133753.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Andre Butz Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 133 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora133_OF_v2d20240405.txt Instrument calibration file used: Pandora133s1_CF_v4d20240611.txt Level 1 file used: Pandora133s1_Heidelberg_20241016_L1_smca1c4d20240611p1-8.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: 20241016 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]: 305.1331 305.2741 305.4152 305.5562 305.6973 305.8383 305.9793 306.1203 306.2613 306.4023 306.5432 306.6842 306.8251 306.9661 307.1070 307.2479 307.3888 307.5297 307.6705 307.8114 307.9523 308.0931 308.2339 308.3747 308.5155 308.6563 308.7971 308.9379 309.0787 309.2194 309.3601 309.5009 309.6416 309.7823 309.9230 310.0636 310.2043 310.3450 310.4856 310.6262 310.7669 310.9075 311.0481 311.1886 311.3292 311.4698 311.6103 311.7509 311.8914 312.0319 312.1724 312.3129 312.4534 312.5939 312.7343 312.8748 313.0152 313.1556 313.2960 313.4364 313.5768 313.7172 313.8576 313.9979 314.1383 314.2786 314.4189 314.5592 314.6995 314.8398 314.9801 315.1203 315.2606 315.4008 315.5410 315.6813 315.8215 315.9617 316.1018 316.2420 316.3822 316.5223 316.6624 316.8026 316.9427 317.0828 317.2229 317.3629 317.5030 317.6431 317.7831 317.9231 318.0631 318.2031 318.3431 318.4831 318.6231 318.7631 318.9030 319.0429 319.1829 319.3228 319.4627 319.6026 319.7424 319.8823 320.0222 320.1620 320.3018 320.4417 320.5815 320.7213 320.8611 321.0008 321.1406 321.2803 321.4201 321.5598 321.6995 321.8392 321.9789 322.1186 322.2583 322.3979 322.5376 322.6772 322.8168 322.9564 323.0960 323.2356 323.3752 323.5148 323.6543 323.7939 323.9334 324.0729 324.2124 324.3519 324.4914 324.6309 324.7703 324.9098 --------------------------------------------------------------------------------------- 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 20241016T063530.3Z 9055.274656 212 1 14.18 2 83.57 112.08 111.95 301.29 0.00 1 0.00 1 0 17 7.718e-01 6.036e-02 4.485e-01 4.073e-02 7.678436e-01 2.275910e-02 9.828590e-03 -6.000000e+00 4.487165e-01 224.50 -2.00 3.74 -2.00 321.57 0.00e+00 1.066297e-02 8.530822e-03 3.891099e-03 -6.000000e+00 2.077728e-02 277.03 -2.00 20.00 -2.00 321.04 0.00e+00 8.081 0.011 302.00 328.00 3 2.2433e+00 7.2910e-02 9.0251e-02 -6.0000e+00 1.1134e+00 1.4017e+00 8.6503e-02 4.2579e-02 -6.0000e+00 1.2185e+00 -1.6494e+00 5.7576e-02 2.3840e-02 -6.0000e+00 7.1847e-01 6.7048e-01 3.0001e-02 1.0688e-02 -6.0000e+00 3.0555e-01 8.1630e-06 -2.2535e-03 1.1533e-03 1.9519e-04 -6.0000e+00 2.2270e-02 1.7472e-02 0.0000e+00 12 9 9 12 1 1 51.31 22.41 0.49 0.01747 0.00054 3 4 4 8 0 3543.080 19.98 22.41 19.19 26.32 26.51 1.7 864.74 197123 74440 900000 -41381 84598 900000 900000 -66072 165663 -66872 900000 109322 900000 -27047 900000 127228 900000 152518 900000 24443 42957 -66433 144560 26512 196905 -45033 156125 77447 117239 145427 900000 -27743 102394 103745 80160 57318 900000 -30725 28175 3976 379640 83435 289328 -14471 216495 23969 26140 42976 112384 91666 236923 138187 62765 97483 53309 1914 104484 39024 53449 -8629 28889 -7202 -14627 23308 37256 39236 52010 5300 35619 66594 39960 38646 40224 -10863 -555 -14342 -8243 -35767 -24942 -17176 -14597 -2192 -6478 -2916 -6394 4827 5471 17154 -1118 -5316 -927 5754 -6539 -11233 -4905 -2524 -184 7539 -2750 1331 -4803 -2574 -12360 3573 -8578 2835 -2473 5312 3781 2709 -2631 -857 -1520 -1519 -5468 7949 -3365 2379 -3451 5208 4643 5260 -909 6399 -346 4227 -6279 5096 -4538 4870 -4816 2409 -245 2650 117 781 542 -404 -442 -2679 -1308 268 7814 4545 900000 -5697 3353 900000 900000 -7857 6567 -7252 900000 4333 900000 -3388 900000 5043 900000 6046 900000 2266 3033 -12317 5730 1897 7805 -5857 6189 3070 4647 5764 900000 -3959 4490 4222 3655 3257 900000 -4841 2879 559 15048 5736 11469 -2479 8582 2817 3018 4357 6034 6416 9391 7186 7067 8181 6844 397 7944 5229 5921 -1716 4266 -1678 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6.5806e-03 8.9680e-03 -6.0000e+00 2.0377e-01 7.1670e-05 -2.0161e-05 1.5935e-04 1.5414e-04 -6.0000e+00 1.4286e-02 6.5718e-03 0.0000e+00 12 8 8 10 0 0 71.05 22.41 0.16 0.00657 0.00642 78 23 4 8 0 596.630 20.00 22.41 19.61 26.32 26.51 1.7 867.08 -160414 -165287 -152547 -110592 -156789 -134113 -194169 -142525 -126485 -100569 -96746 -97826 -68897 -89327 -67155 310704 -9072 -19676 -21261 -38571 -52422 -64742 -15033 -45160 -26561 -41385 -16243 -21412 -4725 -14499 1302 -10067 -20383 -11556 -19838 -6745 -39853 -929 5857 7697 17703 -1898 21754 5321 14060 9978 -3178 5588 10060 9316 16132 16909 6326 12740 10752 2671 13899 7182 2630 -333 7790 890 7978 6331 4800 4999 2424 1446 5530 5861 4116 4780 2642 -633 -1308 -2165 -5391 -5867 -3468 -1832 -2370 1842 -2016 -687 -179 -1112 685 1350 616 302 6723 -2107 -3357 -2710 -2110 -1869 493 294 -178 -974 -1143 -1350 -1338 -1849 -1862 -2525 -1118 -586 1593 304 680 -45 9 -1184 -820 -141 -64 1098 424 537 1001 1334 1092 361 691 -725 796 798 -167 802 -246 -573 -431 43 295 -90 715 -27 222 -225 -359 -1121 -2418 -2895 -2374 -1069 -2173 -1548 -4335 -2166 -1786 -1155 -1146 -1443 -986 -1946 -1444 1626 -143 -376 -436 -954 -1453 -2051 -319 -1363 -699 -1305 -397 -531 -105 -411 38 -380 -940 -487 -866 -275 -2530 -49 349 511 1151 -157 1492 436 1078 817 -302 515 939 965 1732 1980 887 1797 1610 447 2092 1140 421 -56 1320 181 1724 1489 1140 1178 592 384 1616 1921 1438 1667 910 -207 -392 -602 -1536 -1837 -1240 -762 -1130 940 -1126 -405 -113 -744 461 924 415 194 3772 -1237 -2019 -1786 -1583 -1609 474 311 -193 -1030 -1121 -1214 -1174 -1743 -1848 -2663 -1236 -705 2074 443 1051 -72 14 -1784 -1190 -202 -95 1702 695 883 1584 2060 1636 529 977 -1020 1131 1254 -293 1523 -503 -1229 -977 103 736 -231 1841 -70 563 -548 -836 -2555 SS 20241016T065707.6Z 9055.289671 219 1 46.52 2 80.37 116.40 114.66 306.09 0.00 1 0.00 1 0 17 3.404e-01 1.005e-02 1.853e-01 3.801e-03 5.977302e-01 2.021175e-03 7.393421e-03 -6.000000e+00 1.933746e-01 224.50 -2.00 3.74 -2.00 321.14 0.00e+00 2.581734e-03 9.118896e-04 3.295855e-03 -6.000000e+00 8.418685e-03 277.03 -2.00 20.00 -2.00 320.64 0.00e+00 5.702 0.004 302.00 328.00 3 2.3250e+00 6.5658e-03 6.6161e-02 -6.0000e+00 4.7774e-01 5.8192e-02 8.8768e-03 3.8042e-02 -6.0000e+00 5.1996e-01 -1.0002e-01 9.2047e-03 2.1244e-02 -6.0000e+00 3.0938e-01 3.6287e-02 4.4717e-03 7.0698e-03 -6.0000e+00 1.3272e-01 1.1382e-04 9.6194e-05 1.1314e-04 1.0640e-04 -6.0000e+00 9.3041e-03 6.0634e-03 0.0000e+00 12 8 8 10 0 0 62.93 22.41 0.21 0.00606 0.00679 83 24 4 8 0 560.290 19.99 22.41 19.70 26.32 26.51 1.7 866.28 -127550 -67944 -154056 24043 -135621 23713 -156363 -93322 -118419 13132 -113127 -71727 -87498 -27752 -63181 -29452 -29991 52497 -19436 -11452 -43555 -35313 -33468 -17668 -30978 -3834 -11977 16549 -27435 -3270 -1574 13810 -7918 409 -26702 -616 -34388 2720 -6449 4740 1595 4342 5909 4359 1210 3747 -6029 1123 800 4600 1564 7945 2166 6486 4617 3474 -514 2234 180 -1364 3269 2987 2355 6052 335 3752 760 1789 2889 4042 1781 3849 307 65 -3075 -1645 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