File name: Pandora272s1_Lauder_20260601_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260601T124752.3Z 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_20260601_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: 20260601 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 20260531T223346.7Z 9647.940123 619 1 54.73 2 72.88 30.28 100.60 213.21 0.00 1 0.00 1 0 17 9.590e-02 1.191e-02 1.394e-02 2.046e-03 3.950667e-01 1.013606e-03 4.928288e-03 -6.000000e+00 5.380284e-02 220.54 -2.00 3.69 -2.00 318.53 0.00e+00 1.625885e-03 2.060737e-04 3.013312e-04 -6.000000e+00 2.359830e-03 275.00 -2.00 20.00 -2.00 317.96 0.00e+00 3.348 0.000 302.00 328.00 3 4.0747e+00 2.7120e-03 3.7748e-02 -6.0000e+00 1.3189e-01 5.2775e-02 3.0971e-03 2.0657e-02 -6.0000e+00 1.4377e-01 -5.7473e-02 2.1550e-03 1.0580e-02 -6.0000e+00 8.5704e-02 2.7052e-02 1.1451e-03 3.5190e-03 -6.0000e+00 3.7034e-02 2.3445e-04 1.7060e-04 5.8383e-05 3.7130e-05 -6.0000e+00 2.6316e-03 2.4441e-02 4.0570e-05 12 9 8 11 32 0 99.87 25.27 -0.36 0.02444 0.02572 26 3 1 8 0 2104.900 20.01 25.27 19.01 35.00 33.75 1.0 957.97 -11383 -21460 -14129 -7808 44061 -37724 -26029 -23257 -8973 -51857 -40376 -37162 1579 -14026 -8883 -50 -11485 3117 -9172 2544 -3231 8749 -6640 -2906 3287 9992 -2560 6222 383 -2068 -4917 5852 4084 5465 -7556 2797 -1121 -3137 1482 4514 -1758 8270 -499 1992 3384 3747 2706 3827 -3286 1592 3414 1857 1711 1575 1615 436 1911 -1889 -1763 2210 3617 2169 957 2439 -1037 -1063 1953 -2689 1804 -882 706 746 -1136 999 -826 -1159 -262 -2163 -2119 -2122 -2614 -780 -2184 -2512 -1251 -88 -762 59 835 620 487 -92 -245 -742 -828 -462 22 1421 403 173 172 -1077 -2542 -230 166 -864 -106 51 -358 -181 623 464 198 717 355 -72 -447 356 -175 937 198 299 909 503 1314 328 -246 143 184 -49 620 -243 202 -416 99 -144 -315 637 240 -332 -246 -660 -878 -502 -1169 -744 -365 1099 -2077 -1361 -1313 -489 -4615 -3239 -3084 105 -1296 -922 -5 -1499 374 -1312 336 -460 1098 -1004 -452 506 1501 -441 935 58 -327 -885 1052 830 1152 -1719 563 -257 -772 418 1466 -675 3032 -208 825 1385 1540 1121 1561 -1446 684 1545 851 840 828 888 249 1098 -1126 -1025 1220 2024 1327 604 1658 -750 -728 1234 -1764 1195 -680 594 612 -952 848 -663 -841 -172 -1503 -1430 -1632 -2144 -706 -2180 -2469 -1296 -97 -887 66 939 724 529 -93 -246 -730 -863 -500 27 1802 528 228 228 -1334 -2937 -275 200 -1118 -142 69 -511 -264 972 756 320 1095 537 -103 -625 511 -268 1426 311 462 1362 775 1903 459 -352 202 262 -77 975 -407 346 -704 176 -259 -585 1197 459 -624 -440 -1199 -1543 SS 20260531T223846.4Z 9647.943592 621 1 20.31 2 72.45 29.16 101.05 212.23 0.00 1 0.00 1 0 17 1.801e-01 1.875e-02 6.228e-02 4.705e-03 3.879906e-01 2.340717e-03 4.797424e-03 -6.000000e+00 1.010158e-01 220.54 -2.00 3.69 -2.00 318.68 0.00e+00 8.645966e-04 5.011491e-04 4.301212e-04 -6.000000e+00 4.432988e-03 275.00 -2.00 20.00 -2.00 318.12 0.00e+00 3.270 0.000 302.00 328.00 3 4.5474e+00 6.2779e-03 3.6903e-02 -6.0000e+00 2.4761e-01 5.1139e-02 7.1989e-03 2.0236e-02 -6.0000e+00 2.6998e-01 -3.9795e-02 5.1036e-03 1.0352e-02 -6.0000e+00 1.6095e-01 1.6557e-02 2.7076e-03 3.2028e-03 -6.0000e+00 6.9501e-02 1.5809e-04 -5.5910e-05 1.3505e-04 3.4268e-05 -6.0000e+00 4.9450e-03 2.6091e-02 -8.3906e-05 12 9 9 12 9 1 99.69 25.27 0.13 0.02609 0.02567 5 2 1 8 0 3384.720 20.00 25.27 19.09 35.00 33.75 1.0 958.18 17645 -6656 17958 -1506 158359 -51431 -25378 -49016 -22907 -72728 -44839 -38012 8011 -11660 -9421 -141 -17933 7177 -14787 6158 -2880 20972 -9555 -3954 1501 13775 3959 15046 4417 -4195 -6561 13670 369 10304 -13359 12215 3913 -3377 6735 5941 -3098 11869 3416 4023 3902 6340 855 5108 -7163 3777 4778 1992 1176 278 1595 -101 1072 -3831 -2736 3149 8137 2246 1366 2820 -3412 -1282 4018 -2817 4296 -1056 2650 1388 -1451 2085 -1348 -246 -550 -1742 -3303 -1417 -3186 648 -2028 -5374 -6483 -515 512 -117 1118 -1221 318 -473 -469 -1098 -856 38 22 2462 -388 3062 176 -1627 -3363 717 858 163 417 363 -136 -284 410 239 10 689 944 91 15 86 43 1071 -222 445 1569 328 1998 -311 -844 160 -192 -556 755 -941 -176 -923 367 -382 -295 699 544 246 -272 -358 -1215 542 -290 635 -61 1163 -3021 -1234 -3374 -1356 -7542 -3560 -3018 471 -990 -921 -14 -2321 767 -2076 729 -379 2165 -1390 -582 221 1877 601 1940 598 -633 -1120 2114 72 1915 -2973 2074 794 -855 1857 1780 -1126 3916 1275 1517 1475 2354 334 1901 -3024 1465 1971 918 584 149 883 -53 573 -2149 -1483 1734 4382 1268 857 1903 -2505 -871 2462 -1832 2755 -810 2167 1113 -1199 1730 -1074 -174 -357 -1099 -2231 -1070 -2577 566 -1977 -5693 -6887 -553 572 -137 1298 -1406 335 -498 -460 -1054 -868 39 26 3181 -522 3970 223 -2071 -4009 818 1055 215 535 493 -197 -418 646 392 16 1056 1429 130 22 125 66 1631 -351 687 2340 510 2896 -442 -1152 215 -278 -878 1183 -1579 -301 -1553 646 -718 -571 1367 1021 478 -507 -641 -2119 SS 20260531T224325.2Z 9647.946819 624 1 54.33 2 72.05 28.11 101.46 211.32 0.00 1 0.00 1 0 17 2.301e-02 6.983e-03 1.847e-03 4.530e-04 3.818026e-01 2.246725e-04 4.828247e-03 -6.000000e+00 1.290805e-02 220.54 -2.00 3.69 -2.00 317.67 0.00e+00 1.001164e-03 3.572507e-05 1.906874e-04 -6.000000e+00 5.660908e-04 275.00 -2.00 20.00 -2.00 317.09 0.00e+00 3.202 0.000 302.00 328.00 3 1.4605e+00 5.8830e-04 3.6212e-02 -6.0000e+00 3.1642e-02 2.4881e-02 6.6440e-04 1.9921e-02 -6.0000e+00 3.4490e-02 -2.1022e-02 4.2159e-04 1.0066e-02 -6.0000e+00 2.0561e-02 6.6993e-03 2.1846e-04 3.0771e-03 -6.0000e+00 8.8858e-03 3.7458e-03 -3.5899e-05 1.2743e-05 3.4486e-05 -6.0000e+00 6.3128e-04 2.4149e-02 6.4711e-05 11 8 0 10 0 0 99.42 25.27 0.29 0.02415 0.02388 427 44 2 8 0 127.210 20.00 25.27 19.15 35.00 33.75 1.0 959.03 -6857 -3992 -5871 -6828 -4309 -9347 -5515 -8444 -5049 -7753 -8934 -7763 -4433 -3198 -1333 77 -1063 775 27 1656 989 805 465 608 236 1060 -363 -1682 -2219 -747 155 1377 1186 70 -3212 -2395 -3234 -1292 83 474 -403 391 -136 987 489 842 344 332 -724 -66 1077 1032 1367 1309 1290 1030 1029 235 98 361 1001 1347 1763 2069 765 -39 -239 -798 21 677 661 717 296 503 -6 -363 -993 -1786 -1406 -1176 -1277 -1279 -1914 -2596 -1495 -650 -211 264 692 566 426 97 -339 -467 -131 -30 347 951 525 205 -5 -857 -1596 -605 -549 -700 -594 -484 -289 265 628 565 348 280 -133 -111 -87 158 257 528 132 464 655 487 565 533 55 344 480 195 168 -45 -246 -341 -31 2 -129 373 157 -132 -167 -502 -873 -519 -328 -513 -571 -316 -704 -428 -754 -487 -748 -883 -807 -521 -441 -213 14 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