File name: Pandora272s1_Lauder_20260227_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260227T130214.2Z 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_20260227_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: 20260227 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 20260226T200837.7Z 9553.839326 449 1 54.87 2 70.88 82.74 160.77 211.44 0.00 1 0.00 1 0 25 1.891e-01 3.342e-02 3.766e-02 5.480e-03 3.692781e-01 2.826698e-03 4.599556e-03 -6.000000e+00 1.096783e-01 229.66 -2.00 3.69 -2.00 318.93 0.00e+00 1.182409e-03 6.192441e-04 5.537177e-04 -6.000000e+00 4.819237e-03 279.37 -2.00 20.00 -2.00 318.27 0.00e+00 3.016 0.000 302.00 328.00 3 5.8349e+00 7.7396e-03 3.5238e-02 -6.0000e+00 2.7379e-01 9.7429e-02 8.8600e-03 2.0436e-02 -6.0000e+00 2.9676e-01 -1.2091e-01 6.0294e-03 9.9987e-03 -6.0000e+00 1.7589e-01 7.0369e-02 3.1016e-03 2.8064e-03 -6.0000e+00 7.4544e-02 5.4608e-05 -3.0244e-03 1.6149e-04 3.1316e-05 -6.0000e+00 5.2269e-03 3.1005e-02 -7.5189e-04 12 8 8 10 0 0 99.96 25.30 0.33 0.03101 0.00828 17 2 1 8 0 3227.530 20.00 25.30 16.68 35.25 34.00 1.1 949.46 48449 -51488 31075 8071 900000 -30685 20575 -102516 -23925 -84251 -44449 -29059 26634 29870 -3558 18183 -28505 36737 -22006 24179 8130 18997 -8772 14042 15941 31310 -11467 21361 12619 -5736 -7344 35286 5800 71876 -22203 22783 15932 -7275 18080 19445 967 36580 2387 3964 5977 14494 3380 8908 -9045 12572 8174 4564 3319 -4767 2364 1056 5843 -8478 -6258 15361 16567 8701 3602 -252 -6448 -4420 10482 -7102 7921 -1196 4274 -299 -5023 3203 -3019 -3030 665 -2325 -1852 509 -5572 -1787 -5474 -5998 -4406 -172 -1667 -1141 2070 -3949 1406 -1441 -141 -326 -1932 -1957 -2073 2395 -558 4350 -530 -526 -3836 703 3046 283 1968 2132 -1908 -894 1053 -334 -697 1628 2590 427 -919 1535 -605 2744 -214 -683 1792 267 4452 1694 -992 -1761 -800 -115 1940 -607 1076 -1057 415 42 -639 -579 205 -539 90 -810 -1065 1318 -4152 1117 337 900000 -1820 781 -13396 -1726 -10559 -4109 -2453 1494 1899 -367 1681 -4447 3141 -3539 2532 1008 2091 -1317 1778 2070 3614 -2028 2557 1551 -864 -1232 4242 1029 6798 -5042 3263 2690 -1796 4154 5174 340 9421 895 1481 2184 4879 1259 3103 -3760 4299 3127 1956 1532 -2308 1109 513 3035 -4600 -3243 6985 7666 4691 2038 -160 -4426 -2791 5943 -4316 4829 -823 3070 -235 -4150 2340 -2178 -1967 416 -1440 -1201 333 -4404 -1521 -5230 -6051 -4679 -187 -1945 -1370 2431 -4771 1493 -1449 -130 -291 -1857 -2096 -2499 2846 -737 5452 -661 -662 -4606 808 3699 376 2461 2814 -2777 -1384 1718 -573 -1180 2550 3725 586 -1259 2123 -908 4248 -350 -1106 2766 403 6104 2281 -1428 -2527 -1114 -173 3042 -1024 1836 -1901 778 78 -1217 -1125 401 -1034 164 -1549 -1968 SS 20260226T202733.2Z 9553.852468 460 1 4.68 2 67.58 79.18 162.12 199.74 0.00 1 0.00 1 0 25 3.449e-02 9.875e-03 1.700e-02 5.059e-03 3.265702e-01 2.590767e-03 4.103557e-03 -6.000000e+00 2.003429e-02 229.66 -2.00 3.69 -2.00 317.36 0.00e+00 8.148371e-04 3.759251e-04 1.663972e-04 -6.000000e+00 8.640935e-04 279.37 -2.00 20.00 -2.00 316.70 0.00e+00 2.600 0.000 302.00 328.00 3 3.9845e+00 6.8573e-03 3.0588e-02 -6.0000e+00 5.0061e-02 3.0909e-02 7.6848e-03 1.7795e-02 -6.0000e+00 5.4173e-02 -1.1868e-02 4.6781e-03 8.7108e-03 -6.0000e+00 3.2152e-02 2.5066e-03 2.3309e-03 2.4938e-03 -6.0000e+00 1.3690e-02 5.4825e-04 -2.2409e-04 1.4492e-04 2.7786e-05 -6.0000e+00 9.4847e-04 1.9062e-02 -1.7243e-05 12 9 9 12 33 1 999.00 25.30 -0.04 0.01906 0.01738 2 4 1 8 0 1559.740 20.00 25.30 17.35 35.25 34.00 1.0 952.48 -4419 -9972 -897 -6589 -1424 -14497 -3501 -19747 -10819 -14633 -8867 -3778 -2309 -3522 3985 6775 -3530 1334 -1407 6180 -1846 3274 -1936 2015 1458 -246 933 3514 598 887 1297 4283 691 3214 -3885 1613 -8347 -1775 954 928 -1216 -131 1713 1021 -1201 3426 66 1809 -3367 -1045 1672 757 187 2354 750 27 2775 -348 -1052 762 1500 1168 1251 2854 24 -566 825 -1904 -166 1704 621 128 -71 379 -760 -1585 -488 -1286 -951 -1152 -2121 -277 -1881 -2610 -1430 358 -352 -108 805 -238 945 -17 -879 126 -1023 -725 181 1148 662 352 289 -530 -2217 -706 -526 -350 -351 69 -366 423 1246 103 602 152 707 -325 -226 547 -150 -230 -293 511 582 598 1054 516 -246 604 291 -159 720 -314 101 -290 -38 -495 -228 641 -23 20 -311 -200 -1033 -419 -1107 -94 -692 -127 -1430 -330 -2435 -1361 -1851 -1168 -494 -310 -558 679 1261 -774 293 -334 1414 -467 783 -502 534 375 -67 254 966 158 234 369 1183 217 1032 -1266 485 -3030 -697 403 465 -641 -72 956 584 -702 1919 38 1004 -1953 -599 989 455 120 1577 533 19 1892 -245 -732 550 1032 863 1010 2310 21 -454 650 -1510 -135 1444 558 122 -69 350 -703 -1336 -391 -983 -748 -961 -1913 -274 -1942 -2849 -1563 413 -411 -131 979 -284 1090 -18 -921 132 -1068 -793 219 1471 881 471 368 -661 -2599 -851 -651 -440 -462 95 -512 600 1878 157 931 223 998 -451 -307 758 -212 -335 -441 758 845 874 1451 712 -326 817 400 -227 1083 -479 157 -449 -61 -827 -392 1119 -40 35 -525 -339 -1706 SS 20260226T204713.8Z 9553.866132 474 1 54.54 2 64.19 75.35 162.84 186.27 0.00 1 0.00 1 0 17 2.427e-02 8.523e-03 4.028e-03 1.428e-03 2.873400e-01 7.313115e-04 3.592085e-03 -6.000000e+00 1.410300e-02 229.66 -2.00 3.69 -2.00 317.01 0.00e+00 5.467465e-04 9.618942e-05 1.150488e-04 -6.000000e+00 6.080692e-04 279.37 -2.00 20.00 -2.00 316.35 0.00e+00 2.283 0.000 302.00 328.00 3 4.6066e+00 1.9228e-03 2.6834e-02 -6.0000e+00 3.5241e-02 3.7918e-02 2.1493e-03 1.5571e-02 -6.0000e+00 3.8132e-02 -7.2043e-03 1.2834e-03 7.6158e-03 -6.0000e+00 2.2632e-02 1.9257e-03 6.2643e-04 2.1622e-03 -6.0000e+00 9.6381e-03 4.1691e-04 2.1603e-04 4.0885e-05 2.4193e-05 -6.0000e+00 6.6741e-04 1.9217e-02 6.4084e-05 11 8 0 10 0 0 99.80 25.30 0.37 0.01922 0.02084 37 4 1 8 0 1474.020 20.01 25.30 18.12 35.00 33.75 1.0 955.19 1818 -8027 -1422 -2522 -3142 -5358 -2651 -14126 -3109 -10337 -9134 -7616 -451 951 12 2894 -4083 2503 -211 2690 1156 1516 -153 855 1681 4191 -1826 996 -819 -1197 129 2952 1219 3666 -5805 -1194 -1432 -2737 1208 2059 -665 682 -618 509 86 1339 -11 810 -2803 460 1134 823 954 508 318 687 1500 -455 -241 106 2456 1926 1554 1510 105 -563 643 -1387 659 490 849 414 -385 886 -280 -388 -801 -1659 -910 -1261 -1575 -1135 -2027 -2855 -1621 -538 -433 121 1013 46 665 -35 -210 -427 -116 -351 -54 1159 472 801 -30 -796 -1673 -515 -377 -461 -87 5 -385 236 559 492 446 507 356 -297 -366 232 -98 754 72 125 574 272 829 731 -180 18 264 66 543 -217 18 -395 10 74 -134 206 201 -57 -237 -428 -985 213 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