File name: Pandora272s1_Lauder_20260410_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260410T124828.7Z 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_20260410_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: 20260410 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 20260409T195022.7Z 9595.826651 470 1 54.37 2 83.84 72.45 23.58 316.70 0.00 1 0.00 1 0 25 6.554e-01 2.518e-02 2.304e-01 3.874e-03 7.909320e-01 2.178825e-03 9.282969e-03 -6.000000e+00 3.835288e-01 225.49 -2.00 3.69 -2.00 321.67 0.00e+00 8.703057e-04 1.154247e-03 3.952050e-03 -6.000000e+00 1.811138e-02 277.74 -2.00 20.00 -2.00 321.22 0.00e+00 8.368 0.007 302.00 328.00 3 1.3687e-01 7.7948e-03 9.2799e-02 -6.0000e+00 9.5157e-01 5.6578e-01 1.1051e-02 5.1640e-02 -6.0000e+00 1.0403e+00 -8.5709e-01 1.1120e-02 2.7735e-02 -6.0000e+00 6.1350e-01 3.6183e-01 5.1511e-03 8.5867e-03 -6.0000e+00 2.5911e-01 8.6034e-05 2.7099e-04 1.0829e-04 1.3590e-04 -6.0000e+00 1.8998e-02 2.4466e-02 5.6106e-06 12 8 8 10 0 0 33.65 25.15 0.71 0.02447 0.02650 109 11 4 8 0 498.770 20.00 25.15 10.03 35.00 33.75 1.3 923.41 -37248 -84257 -165807 900000 900000 -127489 -99526 -215151 -82760 -212092 -191884 -152264 -46415 77504 -31662 293464 -83628 900000 -52710 123210 2688 78051 -70529 144971 99102 900000 107262 900000 196953 38852 -22365 151882 22988 900000 -66467 900000 -23313 -14784 98267 124339 12917 900000 22608 38483 63949 124930 67296 55420 -10255 46517 77057 59732 43200 8763 44482 20040 40220 21722 8502 59133 75296 29425 19484 13490 -1849 13044 37459 -221 21546 4114 10385 9546 5435 16257 3880 5946 6086 -893 1317 1885 -2540 3144 -2918 -2376 -1202 163 -1082 37 2514 -4343 2230 -3968 -3296 -341 -5774 -2130 -5346 -584 -1927 1328 -1657 -2310 -5047 803 703 -1361 -2025 735 -3298 -1503 -186 -1192 -527 693 608 164 -1464 1148 -508 970 139 235 2493 2360 2872 2257 -110 -246 1319 -285 2356 417 247 284 48 -7 -151 511 -285 -311 -272 -1156 -1533 -230 -925 -4207 900000 900000 -1705 -1058 -7894 -880 -8655 -6580 -3968 -525 319 -478 1107 -2753 900000 -1446 592 42 562 -2322 656 748 900000 769 900000 743 542 -692 974 616 900000 -4362 900000 -1055 -714 1853 2157 765 900000 1339 1960 2509 2686 2615 2509 -944 2614 3575 3695 3455 1081 4094 2449 4126 2655 1135 4595 5056 3407 2844 2391 -409 2470 5595 -50 4348 1139 3005 2917 1712 4317 1058 1418 1352 -217 354 606 -1015 1256 -1385 -1198 -642 92 -648 23 1506 -2706 1217 -2170 -1752 -183 -3704 -1551 -4735 -529 -1977 1345 -1649 -2115 -4652 679 637 -1340 -1949 748 -3872 -1971 -254 -1796 -815 1048 887 231 -2104 1678 -801 1576 228 368 3689 3390 3949 3293 -160 -341 2043 -517 4340 859 544 622 114 -18 -366 1253 -711 -797 -652 -2620 -3312 SS 20260409T195700.5Z 9595.831256 473 1 54.40 2 82.73 71.23 24.40 313.75 0.00 1 0.00 1 0 17 5.849e-01 1.333e-02 9.316e-02 2.031e-03 7.273317e-01 1.084235e-03 8.637714e-03 -6.000000e+00 3.348923e-01 225.49 -2.00 3.69 -2.00 321.11 0.00e+00 3.641336e-03 5.042806e-04 2.533544e-03 -6.000000e+00 1.481604e-02 277.74 -2.00 20.00 -2.00 320.62 0.00e+00 7.295 0.004 302.00 328.00 3 1.0686e-01 3.5584e-03 8.0416e-02 -6.0000e+00 8.2855e-01 2.0008e-01 4.9661e-03 4.2673e-02 -6.0000e+00 8.9986e-01 -2.6840e-01 5.3041e-03 2.4719e-02 -6.0000e+00 5.3492e-01 1.0366e-01 2.5439e-03 9.3298e-03 -6.0000e+00 2.2937e-01 2.4962e-04 -1.0263e-04 5.4866e-05 1.2089e-04 -6.0000e+00 1.6220e-02 2.4297e-02 1.7208e-05 12 8 8 10 0 0 12.95 25.15 0.55 0.02430 0.02353 197 20 4 8 0 276.120 20.00 25.15 10.84 35.00 33.75 1.3 926.17 -221646 -167029 -232641 -120585 900000 -206487 -72400 -224129 -172303 -207761 -206547 -185389 -120432 -66555 -47308 9604 -79287 -37165 -58326 46114 -45906 -14415 -59566 -15215 21749 78117 10309 -12130 -45430 31515 -26093 45814 -12917 75253 -44255 6931 -33881 -21262 19068 23184 -8584 47916 -6187 3729 14392 16789 9669 13043 -10379 2535 15908 12284 10176 -2130 9837 4268 10887 2339 417 8164 13807 8874 3179 6384 932 1475 8712 -1202 4717 1932 2491 2212 790 4438 -343 -395 -937 -2697 -2546 -1260 -1612 -159 -2217 -2480 -1903 -255 -1 -75 713 -154 783 -1146 -1686 -674 -2662 -758 -1065 762 313 784 -656 -1055 -2275 -210 -123 -784 -1042 288 -976 -78 787 215 117 89 41 -486 -672 442 65 502 100 364 1239 714 1458 629 -472 -222 486 -268 563 -98 -326 -185 -33 98 -70 604 272 35 -224 -498 -853 -2753 -1413 -4104 -673 900000 -2490 -248 -3913 -2016 -3777 -4335 -3671 -1622 -685 -515 72 -1664 -574 -1213 356 -909 -208 -1427 -256 271 588 157 -226 -1169 418 -754 780 -465 1222 -2296 214 -1744 -1137 834 1180 -683 2343 -551 311 1097 1287 821 1121 -1198 279 1723 1559 1457 -380 1669 800 1977 463 82 1453 2392 1776 772 1723 260 406 2463 -356 1444 702 1007 945 341 1750 -130 -134 -298 -887 -936 -548 -834 -94 -1369 -1638 -1339 -189 0 -60 575 -122 574 -803 -1152 -468 -2108 -635 -1047 796 366 929 -752 -1110 -2347 -206 -129 -880 -1150 338 -1278 -106 1201 337 187 141 62 -753 -1040 704 104 832 167 583 1900 1137 2210 932 -687 -328 753 -478 1046 -199 -669 -403 -72 231 -170 1405 643 85 -507 -1069 -1848 SS 20260409T200218.0Z 9595.834931 475 1 54.44 2 81.84 70.25 25.08 311.50 0.00 1 0.00 1 0 17 4.626e-01 1.056e-02 3.835e-02 1.360e-03 6.746330e-01 7.147957e-04 8.095031e-03 -6.000000e+00 2.648856e-01 225.49 -2.00 3.69 -2.00 320.67 0.00e+00 1.984564e-03 2.922137e-04 1.991304e-03 -6.000000e+00 1.171749e-02 277.74 -2.00 20.00 -2.00 320.16 0.00e+00 6.610 0.003 302.00 328.00 3 9.5080e-02 2.2037e-03 7.2998e-02 -6.0000e+00 6.5536e-01 1.1775e-01 2.8935e-03 3.8552e-02 -6.0000e+00 7.1173e-01 -1.5786e-01 2.9612e-03 2.0900e-02 -6.0000e+00 4.2309e-01 5.8567e-02 1.4695e-03 7.0157e-03 -6.0000e+00 1.8145e-01 4.9466e-04 3.9502e-05 3.6786e-05 8.9958e-05 -6.0000e+00 1.2831e-02 2.3732e-02 3.6544e-05 12 8 8 10 0 0 17.54 25.15 0.38 0.02373 0.02403 285 30 4 8 0 191.010 19.99 25.15 11.25 35.00 33.75 1.3 927.84 -189972 -145868 -173185 -130629 900000 -138315 -135565 -175998 -132319 -164182 -158782 -124976 -98652 -55439 -32745 -26260 -62402 -27491 -53155 -5001 -27436 -17504 -50452 -25527 -3809 5366 -19215 -12448 -20163 -20403 -15094 1318 -7502 23551 -21818 -3380 -18663 -14622 5464 9054 -2878 18976 -2258 3896 9377 7892 5369 3746 -5991 1787 7910 7146 6705 1783 5458 3538 4655 1304 -519 3226 4283 3556 2906 3930 537 608 3915 -1289 1697 1296 1690 1658 1232 2258 -387 -845 -2508 -3033 -2073 -1647 -1494 -843 -1719 -1977 -1267 -460 202 732 1364 621 376 -609 -1669 -975 -1344 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