File name: Pandora272s1_Lauder_20260416_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260416T124857.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c2p1-8 Local principal investigator: Richard Querel Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 272 Spectrometer number: 1 Processing software version used: BlickP v1.8.88 Instrument operation file used: Pandora272_OF_v3d20240829.txt Instrument calibration file used: Pandora272s1_CF_v2d20241202.txt Level 1 file used: Pandora272s1_Lauder_20260416_L1_smca1c2d20241202p1-8.txt Full location name: Lauder Atmospheric Research Station Short location name: Lauder Country of location: New Zealand Location latitude [deg]: -45.0380 Location longitude [deg]: 169.6840 Location altitude [m]: 370 Local noon date: 20260416 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: OoB based on session 1 First and last pixel inside fitting window: 196 338 Nominal wavelengths inside fitting window [nm]: 305.0435 305.1840 305.3244 305.4648 305.6052 305.7456 305.8860 306.0263 306.1667 306.3070 306.4473 306.5877 306.7280 306.8683 307.0086 307.1488 307.2891 307.4293 307.5696 307.7098 307.8500 307.9902 308.1304 308.2706 308.4108 308.5510 308.6911 308.8313 308.9714 309.1115 309.2516 309.3917 309.5318 309.6719 309.8119 309.9520 310.0920 310.2321 310.3721 310.5121 310.6521 310.7921 310.9320 311.0720 311.2120 311.3519 311.4918 311.6317 311.7717 311.9115 312.0514 312.1913 312.3312 312.4710 312.6109 312.7507 312.8905 313.0303 313.1701 313.3099 313.4496 313.5894 313.7292 313.8689 314.0086 314.1483 314.2880 314.4277 314.5674 314.7071 314.8467 314.9864 315.1260 315.2656 315.4052 315.5448 315.6844 315.8240 315.9636 316.1031 316.2427 316.3822 316.5217 316.6612 316.8007 316.9402 317.0797 317.2192 317.3586 317.4981 317.6375 317.7769 317.9163 318.0557 318.1951 318.3345 318.4738 318.6132 318.7525 318.8918 319.0312 319.1705 319.3097 319.4490 319.5883 319.7276 319.8668 320.0060 320.1453 320.2845 320.4237 320.5629 320.7020 320.8412 320.9804 321.1195 321.2586 321.3977 321.5368 321.6759 321.8150 321.9541 322.0932 322.2322 322.3713 322.5103 322.6493 322.7883 322.9273 323.0663 323.2052 323.3442 323.4831 323.6221 323.7610 323.8999 324.0388 324.1777 324.3166 324.4554 324.5943 324.7331 324.8719 --------------------------------------------------------------------------------------- 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 101-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-386: 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 20260415T195824.3Z 9601.832226 373 1 54.59 2 83.85 69.21 66.08 56.14 0.00 1 0.00 1 0 17 7.694e-01 2.890e-02 2.724e-01 4.606e-03 9.266825e-01 2.610065e-03 1.046295e-02 -6.000000e+00 4.468689e-01 224.87 -2.00 3.69 -2.00 321.93 0.00e+00 -6.597052e-04 1.434900e-03 2.368877e-03 -6.000000e+00 2.131343e-02 277.43 -2.00 20.00 -2.00 321.51 0.00e+00 8.385 0.007 302.00 328.00 3 2.0183e-01 9.6246e-03 9.5693e-02 -6.0000e+00 1.1062e+00 1.0003e+00 1.3529e-02 5.5147e-02 -6.0000e+00 1.2094e+00 -1.4178e+00 1.2968e-02 3.0103e-02 -6.0000e+00 7.1259e-01 5.8559e-01 5.9975e-03 9.6988e-03 -6.0000e+00 3.0334e-01 6.2997e-05 -5.1486e-05 1.2117e-04 1.3347e-04 -6.0000e+00 2.2540e-02 2.4008e-02 -6.3962e-06 12 8 8 10 0 0 93.35 25.07 0.53 0.02401 0.02362 80 8 4 8 0 682.300 20.00 25.07 12.93 35.00 33.75 1.2 933.60 144369 -19272 -109499 900000 900000 -89559 -76009 -179970 -10100 -153448 -164992 -91793 98959 111436 -1666 71386 -49674 35650 -37659 150710 52541 74168 -34330 242717 74002 900000 197541 900000 900000 42770 14475 900000 147358 900000 -67917 900000 41023 -821 98069 423827 27226 900000 44600 83801 184021 248552 97861 139910 -13018 75328 134383 114114 88854 19747 57885 38500 56682 35683 19968 81051 121698 49282 21267 39976 7604 19387 78906 5134 32571 14470 13267 16205 8010 28040 6695 8613 13261 22015 6048 2598 -1121 6332 -1748 -2488 -3039 1123 -1481 1909 2587 -1734 4758 -3338 -4926 -386 -7212 -2465 -7037 -74 -2712 2060 -1713 -2519 -8256 1350 1936 -2535 -4940 1163 -5178 -2649 -544 -1721 -1617 393 349 -35 -1250 1119 2 1017 -20 -104 2972 2904 5612 2758 441 663 1311 -1019 2062 685 302 139 -45 234 106 536 -15 -24 -627 -1699 -1882 647 -259 -3571 900000 900000 -1643 -1239 -8730 -95 -6193 -7533 -2245 444 545 -31 727 -1843 596 -1336 799 707 756 -1050 1088 845 900000 886 900000 900000 671 363 900000 1322 900000 -4623 900000 1049 -36 1935 1900 1428 900000 2100 2630 2063 1449 2589 2509 -1138 2939 3254 3786 4144 2001 4257 3556 4448 3376 2077 4325 4311 3889 2537 4553 1292 2930 6687 962 5112 3127 3212 3960 2080 5520 1459 1626 2230 3504 1294 699 -375 2302 -704 -1078 -1411 532 -751 957 1289 -873 2306 -1657 -2461 -195 -4081 -1586 -5634 -65 -2530 2049 -1687 -2271 -6990 996 1507 -2191 -4640 1122 -5468 -3149 -734 -2609 -2367 564 529 -51 -1871 1707 3 1571 -31 -164 4384 4149 7526 3715 595 925 2096 -1802 4024 1395 667 329 -107 592 274 1400 -39 -60 -1470 -3997 -4172 SS 20260415T200503.5Z 9601.836846 376 1 54.23 2 82.76 67.99 65.16 54.68 0.00 1 0.00 1 0 25 6.185e-01 2.923e-02 1.791e-01 4.357e-03 8.390757e-01 2.410704e-03 9.749891e-03 -6.000000e+00 3.548902e-01 224.87 -2.00 3.69 -2.00 321.61 0.00e+00 -1.342689e-03 1.214295e-03 3.439374e-03 -6.000000e+00 1.617477e-02 277.43 -2.00 20.00 -2.00 321.16 0.00e+00 7.324 0.005 302.00 328.00 3 1.1354e+00 8.3160e-03 8.5452e-02 -6.0000e+00 8.7798e-01 7.4361e-01 1.1202e-02 5.2999e-02 -6.0000e+00 9.5700e-01 -1.1040e+00 1.0514e-02 2.6779e-02 -6.0000e+00 5.6637e-01 4.7218e-01 4.9824e-03 7.9989e-03 -6.0000e+00 2.4302e-01 7.1929e-05 -2.0663e-04 1.1594e-04 1.1199e-04 -6.0000e+00 1.7506e-02 2.5277e-02 -3.7867e-05 12 8 8 10 0 0 99.61 25.07 0.42 0.02528 0.02372 83 9 4 8 0 653.350 20.00 25.07 13.33 34.75 33.75 1.2 936.07 -3908 -17375 -103192 900000 900000 -121992 -78346 -178563 -78619 -175997 -160406 -90015 9254 -21172 -4270 47743 -58343 15344 -52719 116215 18453 90967 -56376 113695 87484 360714 47599 70752 253384 36255 -42560 900000 32113 -33504 -44021 900000 12091 -11806 92888 161222 34046 900000 26133 43788 73603 106995 67015 91400 -11622 30727 83973 60321 57229 15448 43078 38720 50664 17343 4827 50803 62698 33931 12439 23271 2754 14791 43630 4077 28142 6851 10894 13027 5732 16423 1954 3970 10890 7194 1392 -1294 -3076 4256 -3599 -4124 -4125 572 -1261 -1443 -101 -4117 2513 -3470 -3589 -222 -5190 -3376 -5955 294 -2691 1779 -1615 -2399 -6489 1245 1755 -1916 -2920 750 -5175 -1134 42 -1043 -1250 925 -1 207 -969 1084 -295 1134 29 -92 2437 2772 4957 2759 549 733 1849 -901 1604 718 721 -135 -120 255 47 496 -81 -305 -368 -1324 -2328 -38 -208 -2907 900000 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2.119726e-02 277.43 -2.00 20.00 -2.00 320.92 0.00e+00 6.679 0.003 302.00 328.00 3 2.4880e+00 3.0534e-02 7.5597e-02 -6.0000e+00 1.0951e+00 8.5336e-01 3.8715e-02 4.2327e-02 -6.0000e+00 1.2007e+00 -1.3081e+00 3.0870e-02 2.1632e-02 -6.0000e+00 7.0538e-01 5.7817e-01 1.5015e-02 8.0031e-03 -6.0000e+00 3.0053e-01 3.5134e-05 -1.8556e-04 4.7551e-04 9.8817e-05 -6.0000e+00 2.2000e-02 3.3096e-02 -1.6364e-04 12 9 9 12 9 1 -35.70 25.07 0.16 0.03310 0.03170 3 2 1 8 0 2970.840 19.99 25.07 13.58 35.00 33.75 1.1 936.31 900000 138642 12033 96091 900000 -15936 -63991 -112178 39846 -89187 -88921 115960 82183 70159 297849 87565 -12421 78834 400 900000 53427 900000 -32610 900000 98280 152123 900000 900000 248181 222888 31173 900000 327136 900000 -53746 900000 152553 -24387 262810 900000 33820 900000 34453 66306 131783 203326 132558 92643 5579 141328 88549 93121 102827 25443 52044 24664 46925 8185 -4737 67099 101358 42588 13061 27507 -1928 13006 83230 -7555 27098 8868 18277 16329 -3448 36113 -2816 18226 34369 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