File name: Pandora272s1_Lauder_20260427_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260427T124706.1Z 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_20260427_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: 20260427 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 20260426T201642.9Z 9612.844941 431 1 54.25 2 83.34 62.94 141.27 200.86 0.00 1 0.00 1 0 17 6.342e-01 2.528e-02 1.923e-01 3.925e-03 8.872878e-01 2.214961e-03 1.027549e-02 -6.000000e+00 3.664703e-01 223.68 -2.00 3.69 -2.00 321.79 0.00e+00 2.145361e-03 1.191120e-03 3.127273e-03 -6.000000e+00 1.740170e-02 276.76 -2.00 20.00 -2.00 321.36 0.00e+00 7.860 0.006 302.00 328.00 3 4.9507e-01 7.9959e-03 9.0437e-02 -6.0000e+00 9.0501e-01 7.1263e-01 1.1488e-02 5.3396e-02 -6.0000e+00 9.9027e-01 -1.0514e+00 1.1679e-02 3.0135e-02 -6.0000e+00 5.8433e-01 4.3719e-01 5.3917e-03 1.0413e-02 -6.0000e+00 2.4893e-01 8.2381e-05 -7.1953e-05 1.0458e-04 1.6008e-04 -6.0000e+00 1.8078e-02 2.5463e-02 2.2118e-05 12 8 8 10 0 0 90.55 25.20 0.60 0.02546 0.02492 94 10 4 8 0 577.110 20.00 25.20 12.68 35.00 33.75 1.2 932.54 -167482 -103745 -167063 900000 900000 -99557 -130530 -204651 -122223 -236496 -175247 -117935 112205 -77272 -8553 55432 -105301 27096 -70859 900000 12040 900000 -38803 900000 275033 900000 64580 96941 63090 53372 -22005 111864 43078 900000 -56244 900000 12245 43862 74089 91503 18501 900000 17571 33796 60805 165177 82360 125820 -24586 43348 48853 77781 58954 17100 38606 25685 51155 20627 4041 50527 76241 28083 21292 17619 6208 22118 44462 1796 23190 9215 13914 15928 6049 18336 -197 9014 7624 6486 2482 72 984 2166 -470 -1165 -1544 216 -1683 521 917 -2437 3789 -3840 -4348 -2076 -6002 -3314 -5300 -239 -1587 303 -1576 -2087 -5685 352 1115 -1418 -3166 986 -3604 -1790 -342 -1174 -882 861 -57 -207 -1085 1347 -552 778 513 858 2327 1406 3827 2733 179 669 1050 -294 1569 822 150 -58 13 74 78 482 2 15 -429 -1488 -1808 -3666 -1334 -4121 900000 900000 -934 -1723 -6043 -1698 -10763 -4444 -1926 429 -1369 -95 385 -4061 301 -2191 900000 159 900000 -836 900000 1051 900000 617 630 555 571 -614 983 872 900000 -3074 900000 351 1056 1585 1958 919 900000 967 1589 2161 2083 2423 2500 -2339 2269 2726 3656 3672 1771 3437 2699 4262 2294 503 3784 4458 2898 2701 2680 1146 3491 5709 373 4289 2257 3610 4224 1741 4344 -51 1871 1500 1334 608 22 356 824 -206 -549 -780 114 -947 294 518 -1377 1881 -1941 -2180 -1072 -3690 -2359 -4568 -212 -1598 306 -1549 -1872 -5121 287 958 -1326 -2928 954 -4076 -2285 -458 -1753 -1368 1310 -84 -298 -1579 1996 -880 1271 831 1320 3383 1996 5108 3895 256 908 1631 -501 2974 1735 320 -132 32 181 195 1221 4 36 -1043 -3399 -3909 SS 20260426T202205.4Z 9612.848673 433 1 54.31 2 82.50 61.94 141.55 198.87 0.00 1 0.00 1 0 17 7.391e-01 1.700e-02 1.938e-01 2.385e-03 8.254645e-01 1.287877e-03 9.774922e-03 -6.000000e+00 4.234910e-01 223.68 -2.00 3.69 -2.00 321.39 0.00e+00 3.780861e-03 6.376530e-04 3.201777e-03 -6.000000e+00 1.866117e-02 276.76 -2.00 20.00 -2.00 320.94 0.00e+00 7.111 0.004 302.00 328.00 3 4.3901e-01 4.3198e-03 8.2131e-02 -6.0000e+00 1.0461e+00 2.9999e-01 6.3918e-03 4.9137e-02 -6.0000e+00 1.1405e+00 -4.5258e-01 7.0559e-03 2.8857e-02 -6.0000e+00 6.7563e-01 1.8553e-01 3.3069e-03 1.0658e-02 -6.0000e+00 2.8841e-01 1.8951e-04 -1.9369e-04 6.1735e-05 1.4949e-04 -6.0000e+00 2.0606e-02 2.4881e-02 1.9162e-05 12 8 8 10 0 0 34.01 25.20 0.45 0.02488 0.02343 164 17 4 8 0 331.140 20.00 25.20 12.96 35.00 33.75 1.2 934.17 -278499 -178603 -260034 -39387 900000 -139367 -62946 -276376 -200832 -274937 -224319 -195631 -89381 -111427 -28609 -23327 -130623 -51361 -92294 114209 -47224 370853 -70690 13479 8661 71045 -13564 9201 10752 -37531 -54258 69882 -12929 900000 -57923 36793 -23518 -11267 38277 32508 -1711 104813 -4007 6375 19158 32532 23838 33011 -15682 13250 20702 22726 25925 6479 13410 10269 15978 7427 -1961 16637 20297 10258 8381 8937 865 8203 16654 -344 8368 3744 4806 6455 1631 5822 -606 -769 332 966 -1511 -1274 -2067 1350 -1486 -1950 -1942 -810 -565 547 1560 -636 551 -1913 -2146 -863 -2946 -1783 -1921 597 -310 605 -688 -1384 -3771 -458 27 -1225 -1443 118 -1975 -486 44 11 1 567 9 -159 -923 565 80 582 402 664 1335 807 2181 1061 -435 202 967 -244 833 222 -153 -464 91 -3 -99 475 19 93 -220 -735 -1000 -4769 -1321 -4672 -92 900000 -648 -146 -6018 -2293 -7149 -3746 -2895 -605 -1248 -200 -190 -3584 -717 -2103 345 -725 862 -1430 129 93 430 -196 103 118 -751 -1602 731 -367 900000 -2707 659 -848 -422 1068 1164 -98 2242 -269 397 1065 1626 1347 1796 -1491 1032 1699 2077 2544 853 1771 1464 2222 1121 -313 2147 2586 1591 1530 1881 214 1898 3598 -93 2285 1125 1597 2216 582 1873 -189 -236 94 280 -510 -473 -925 682 -865 -1219 -1189 -524 -382 377 1070 -433 347 -1266 -1395 -577 -2092 -1478 -1738 618 -362 716 -786 -1448 -3601 -442 26 -1239 -1546 135 -2377 -655 64 18 2 910 14 -237 -1388 872 130 986 677 1068 2048 1203 3300 1578 -640 304 1530 -423 1611 447 -330 -1012 212 -7 -239 1159 46 220 -516 -1619 -2214 SS 20260426T202749.8Z 9612.852660 436 1 54.37 2 81.61 60.85 141.83 196.71 0.00 1 0.00 1 0 17 5.965e-01 1.171e-02 6.637e-02 1.618e-03 7.676892e-01 8.555756e-04 9.145321e-03 -6.000000e+00 3.392013e-01 223.68 -2.00 3.69 -2.00 320.95 0.00e+00 2.591493e-03 3.808302e-04 2.662104e-03 -6.000000e+00 1.504876e-02 276.76 -2.00 20.00 -2.00 320.47 0.00e+00 6.452 0.003 302.00 328.00 3 4.3686e-01 2.7203e-03 7.4660e-02 -6.0000e+00 8.3608e-01 1.5887e-01 3.8130e-03 4.4586e-02 -6.0000e+00 9.0934e-01 -2.2838e-01 4.1475e-03 2.5602e-02 -6.0000e+00 5.4097e-01 8.7593e-02 2.0076e-03 9.1069e-03 -6.0000e+00 2.3266e-01 3.6450e-04 -1.1240e-04 4.1747e-05 1.1664e-04 -6.0000e+00 1.6534e-02 2.4529e-02 2.4912e-05 12 8 8 10 0 0 50.52 25.20 0.44 0.02453 0.02368 223 23 4 8 0 243.790 20.00 25.20 13.26 35.00 33.75 1.2 935.98 -257786 -166376 -207277 -153818 900000 -183570 -145132 -242646 -186762 -218422 -189138 -137173 -136769 -82005 -88712 -14353 -94739 -42487 -65676 16381 -55384 58870 -38074 -10919 7923 14378 -25643 -29458 -37206 -25902 -43403 5336 -17689 38924 -32701 2101 -20699 -16548 12202 10715 -5701 33667 -2949 1453 5585 15521 4899 9422 -9048 3593 4771 8324 7553 3811 5015 3968 5813 2336 -927 4922 8247 3378 2928 4842 1055 3345 6123 -973 4199 1253 2543 2936 488 2599 -1081 -933 -1551 -2527 -2690 -1734 -1325 -294 -1686 -1910 -1499 -121 103 964 1192 170 579 -1349 -1726 -612 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