File name: Pandora272s1_Lauder_20260117_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260117T125716.4Z 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 v1.8.75 Instrument operation file used: Pandora272_OF_v3d20240829.txt Instrument calibration file used: Pandora272s1_CF_v2d20241202.txt Level 1 file used: Pandora272s1_Lauder_20260117_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: 20260117 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 20260116T224719.9Z 9512.949536 676 1 9.36 2 35.15 56.66 18.65 24.19 0.00 1 0.00 1 0 17 9.496e-03 7.847e-03 2.637e-03 1.990e-03 1.651337e-01 1.048406e-03 2.089767e-03 -6.000000e+00 5.570575e-03 232.13 -2.00 3.69 -2.00 314.40 0.00e+00 1.917740e-04 7.814323e-05 2.976076e-05 -6.000000e+00 2.374748e-04 278.95 -2.00 20.00 -2.00 313.91 0.00e+00 1.222 0.000 302.00 328.00 3 4.7012e+00 2.7002e-03 1.4811e-02 -6.0000e+00 1.4007e-02 4.1754e-02 2.9762e-03 8.9935e-03 -6.0000e+00 1.5126e-02 -7.8237e-03 1.7021e-03 4.3686e-03 -6.0000e+00 8.9569e-03 4.2950e-04 7.3871e-04 1.2037e-03 -6.0000e+00 3.7954e-03 1.2756e-03 2.4467e-04 5.6305e-05 1.6536e-05 -6.0000e+00 2.6124e-04 1.6376e-02 1.0123e-04 12 9 1 12 33 1 95.48 25.38 0.25 0.01638 0.01822 6 4 1 8 0 1336.440 19.99 25.38 21.50 35.25 33.75 0.8 968.87 2009 486 259 -1589 -901 -1625 -1605 -678 1013 -939 -2838 -1697 879 -999 674 451 -724 212 -147 1096 875 825 687 933 631 1300 -107 791 -634 -60 960 777 1797 420 -2817 -1935 -2390 -1758 -399 312 -674 -160 -594 232 -655 -42 -182 -419 -1751 -761 1064 723 837 997 897 709 908 -39 -192 878 991 1100 1537 1914 958 -578 67 -1257 -54 542 564 487 604 780 342 -458 -767 -1485 -1118 -793 -1614 -917 -1938 -2839 -1387 -582 -130 133 883 638 606 -105 -184 -43 -244 17 93 771 534 647 360 -542 -1566 -796 62 -922 -822 -371 -254 399 616 876 396 301 214 -400 -526 78 116 577 204 181 631 32 535 439 -56 503 428 172 256 -166 16 -402 187 29 217 394 48 -297 -291 -576 -853 800 197 106 -658 -325 -602 -577 -265 429 -396 -1191 -751 383 -491 339 246 -408 120 -81 612 496 461 389 550 386 813 -68 466 -367 -33 539 456 1039 253 -1635 -1137 -1433 -1129 -283 244 -554 -136 -519 202 -572 -36 -153 -339 -1452 -612 867 595 719 895 792 633 820 -35 -172 809 891 1046 1493 1960 989 -557 61 -1157 -50 532 585 511 640 805 348 -445 -701 -1324 -990 -730 -1592 -945 -2072 -3192 -1570 -677 -159 163 1087 768 704 -116 -193 -44 -250 18 104 910 652 818 432 -639 -1744 -918 74 -1140 -1018 -478 -328 535 836 1207 550 390 273 -492 -628 96 145 745 268 238 845 42 678 550 -66 602 510 209 324 -218 21 -525 256 40 302 561 70 -429 -408 -816 -1178 SS 20260117T004418.8Z 9513.030773 765 1 5.21 2 24.31 3.92 23.68 310.77 0.00 1 0.00 1 0 17 1.106e-02 9.185e-03 6.093e-03 4.700e-03 1.504704e-01 2.493279e-03 1.893182e-03 -6.000000e+00 6.487127e-03 232.12 -2.00 3.69 -2.00 314.24 0.00e+00 4.848638e-05 1.791341e-04 2.328006e-05 -6.000000e+00 2.766458e-04 278.95 -2.00 20.00 -2.00 313.74 0.00e+00 1.097 0.000 302.00 328.00 3 5.3909e+00 6.4131e-03 1.3356e-02 -6.0000e+00 1.6311e-02 4.7117e-02 7.0543e-03 8.1556e-03 -6.0000e+00 1.7616e-02 -7.3195e-03 4.0463e-03 3.9651e-03 -6.0000e+00 1.0431e-02 3.0898e-04 1.7501e-03 1.0936e-03 -6.0000e+00 4.4193e-03 7.4219e-04 9.4366e-05 1.3315e-04 1.5340e-05 -6.0000e+00 3.0433e-04 1.6286e-02 3.3873e-05 12 9 1 12 1 1 999.00 25.41 0.58 0.01629 0.01699 1 2 1 8 0 2601.450 19.99 25.41 24.96 35.25 33.75 0.8 984.16 1800 -2274 -937 -337 2230 -117 -1275 -1725 835 -308 -2671 -4078 1701 -83 961 1431 -605 996 -1403 802 -227 -229 871 1847 1 1418 306 571 918 -1602 735 1916 1137 83 -3040 -474 -2293 -1430 -548 -917 -470 542 -1171 320 174 465 -7 -92 -1229 -67 1184 115 616 233 837 754 518 -214 -351 1009 2027 1468 1741 1385 -183 -698 382 -1794 116 488 -74 718 1091 1087 678 -348 -489 -1903 -1404 -1632 -1360 -1410 -2054 -3049 -1608 207 -389 208 1335 31 477 -831 -838 -735 381 -271 33 1252 1120 859 799 -432 -1889 -6 -46 -1379 -391 131 322 -152 -66 390 294 519 361 -18 -253 -316 -134 369 160 556 761 164 1087 -23 -534 185 982 225 590 232 -603 -806 -20 883 147 752 -298 8 -856 -549 -1005 751 -979 -401 -142 803 -44 -471 -702 364 -142 -1227 -1884 799 -41 514 764 -336 552 -816 467 -135 -135 511 1119 0 916 200 347 542 -929 426 1138 670 51 -1780 -279 -1383 -975 -410 -756 -398 470 -1058 287 155 408 -6 -75 -1039 -54 982 96 535 212 778 708 467 -194 -331 930 1893 1382 1751 1401 -187 -693 360 -1639 106 469 -75 761 1165 1132 703 -330 -438 -1686 -1231 -1480 -1295 -1475 -2199 -3433 -1809 246 -470 260 1672 38 571 -917 -879 -752 389 -286 38 1497 1371 1049 970 -496 -2164 -7 -54 -1663 -486 170 413 -205 -89 532 405 665 442 -21 -290 -373 -168 476 207 721 1015 213 1378 -28 -649 216 1177 273 743 289 -764 -1041 -27 1194 207 1079 -423 11 -1220 -760 -1360 SS 20260117T004950.9Z 9513.034617 768 1 53.20 2 24.27 0.78 24.42 308.46 0.00 1 0.00 1 0 17 1.942e-02 1.299e-02 3.072e-03 2.128e-03 1.534456e-01 1.116952e-03 1.902740e-03 -6.000000e+00 1.138729e-02 232.12 -2.00 3.69 -2.00 314.84 0.00e+00 -9.226658e-05 9.040037e-05 6.876495e-05 -6.000000e+00 4.858233e-04 278.95 -2.00 20.00 -2.00 314.31 0.00e+00 1.097 0.000 302.00 328.00 3 6.5705e+00 2.8858e-03 1.3421e-02 -6.0000e+00 2.8631e-02 5.4933e-02 3.1848e-03 8.2487e-03 -6.0000e+00 3.0925e-02 -1.2698e-02 1.8198e-03 4.0071e-03 -6.0000e+00 1.8312e-02 6.7270e-03 7.9948e-04 1.1217e-03 -6.0000e+00 7.7558e-03 2.2640e-04 1.0114e-04 6.0321e-05 1.4571e-05 -6.0000e+00 5.3445e-04 1.6503e-02 -5.3366e-05 12 8 8 10 0 0 99.87 25.41 0.10 0.01650 0.01726 15 2 1 8 0 3546.330 20.00 25.41 25.21 35.25 33.75 0.8 986.21 4992 1369 2495 -827 7660 -1889 -1490 -6801 1779 -5507 -3782 -4460 1462 -1062 -1369 1113 -3271 1098 -1975 1597 -879 2038 -726 1140 1301 3380 -1601 3022 1298 -3003 -1181 1002 473 2623 -7027 1441 -1971 -2247 863 1354 -731 1781 -712 446 182 698 -93 300 -3724 436 1048 647 824 588 468 167 1107 -792 -1562 2951 2464 2418 755 2089 -388 -1482 2182 -3309 953 911 1474 918 -92 1538 -186 -128 -992 -2493 -3330 -1926 -2376 -273 -2087 -3126 -1663 301 597 425 944 -430 185 -1138 -283 -774 -896 -128 -768 1438 272 2864 246 -599 -2550 -56 574 -467 -534 675 -125 -301 689 482 279 1226 740 -220 -1579 -132 -670 907 221 0 874 419 1520 672 -773 204 57 -723 942 -60 0 -983 -35 -46 -227 118 649 347 27 -767 -1225 1661 503 909 -287 2135 -550 -453 -2392 631 -2192 -1437 -1695 565 -464 -661 562 -1612 573 -997 796 -454 1099 -374 600 707 1847 -917 1680 668 -1547 -611 526 264 1462 -4007 728 -1114 -1333 586 985 -591 1453 -609 380 154 581 -76 233 -2893 344 849 512 678 508 415 150 997 -726 -1416 2537 2178 2264 715 2058 -389 -1481 1914 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