File name: Pandora272s1_Lauder_20260105_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260105T125617.4Z 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_20260105_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: 20260105 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 20260104T193001.8Z 9500.812521 625 1 53.97 2 66.68 99.31 100.00 292.76 0.00 1 0.00 1 0 17 4.851e-02 1.146e-02 7.395e-03 1.904e-03 3.122467e-01 9.814066e-04 3.917506e-03 -6.000000e+00 2.840828e-02 232.06 -2.00 3.69 -2.00 317.66 0.00e+00 -5.680045e-04 1.514306e-04 3.402642e-04 -6.000000e+00 1.210923e-03 278.43 -2.00 20.00 -2.00 317.01 0.00e+00 2.507 0.000 302.00 328.00 3 4.8212e+00 2.6191e-03 2.9545e-02 -6.0000e+00 7.1422e-02 4.0120e-02 2.9330e-03 1.7376e-02 -6.0000e+00 7.7187e-02 -1.6468e-02 1.8208e-03 8.3756e-03 -6.0000e+00 4.5696e-02 8.3566e-03 9.1462e-04 2.4373e-03 -6.0000e+00 1.9323e-02 2.6544e-04 -1.2672e-03 5.5075e-05 2.6572e-05 -6.0000e+00 1.3356e-03 2.0188e-02 -2.4606e-04 12 8 8 10 0 0 99.99 25.40 -0.03 0.02019 0.01066 54 6 1 8 0 999.290 20.00 25.40 22.20 35.25 34.00 0.8 972.79 -1170 -150 -6162 8699 28736 -13092 -6071 -28083 -1454 -16845 -12169 -15296 5269 -2519 -2218 2282 -7518 2419 -3268 1233 -2053 2558 -2935 3203 -392 1905 -3806 4941 1864 -3998 -2818 2833 676 6851 -9862 4313 -2859 -3848 1732 2603 104 3794 -286 875 705 3877 594 2273 -3853 1003 2800 1140 924 -69 1222 191 636 -1290 -1657 3274 2947 2055 1382 2130 -906 -763 2413 -2395 689 160 591 696 -191 917 -251 -1129 -504 -1662 -1892 -1221 -1922 -482 -2044 -3069 -2066 234 -242 124 -7 -97 172 -284 -428 -179 -753 -379 -524 1704 658 1290 -120 -759 -2781 -434 680 -779 -930 630 -674 25 899 470 -105 1004 131 161 -236 368 -200 721 200 -146 842 527 1383 735 -210 485 289 -261 328 -188 -26 -801 280 -147 -285 217 586 220 -399 -624 -1042 -97 -13 -605 691 1670 -1126 -522 -3369 -150 -2152 -1485 -2000 635 -378 -381 417 -1453 487 -663 248 -436 568 -646 708 -95 470 -1004 1126 447 -1011 -686 706 188 1868 -2999 1112 -866 -1363 697 1127 51 1887 -153 469 377 2010 314 1158 -2062 516 1498 668 576 -46 779 125 426 -883 -1116 2247 1917 1440 1062 1753 -781 -615 1761 -1792 521 137 521 645 -180 828 -215 -946 -379 -1194 -1400 -1006 -1676 -462 -2155 -3201 -2277 272 -298 147 -8 -114 200 -305 -454 -181 -793 -409 -632 2108 889 1735 -156 -920 -3395 -515 863 -1003 -1253 880 -945 37 1411 724 -160 1511 184 223 -321 512 -280 1071 309 -224 1257 763 1994 1017 -279 627 395 -387 483 -292 -41 -1317 455 -254 -509 374 1024 379 -701 -1060 -1719 SS 20260104T193720.5Z 9500.817598 634 1 53.72 2 65.40 98.10 101.13 291.58 0.00 1 0.00 1 0 17 4.027e-02 1.100e-02 5.881e-03 1.790e-03 2.984205e-01 9.230723e-04 3.718199e-03 -6.000000e+00 2.358174e-02 232.06 -2.00 3.69 -2.00 317.34 0.00e+00 -5.226558e-04 1.301428e-04 2.744792e-04 -6.000000e+00 1.005114e-03 278.43 -2.00 20.00 -2.00 316.68 0.00e+00 2.386 0.000 302.00 328.00 3 4.8891e+00 2.4521e-03 2.8102e-02 -6.0000e+00 5.9287e-02 3.5077e-02 2.7400e-03 1.6452e-02 -6.0000e+00 6.4070e-02 -1.5135e-02 1.6627e-03 7.9431e-03 -6.0000e+00 3.7931e-02 8.6546e-03 8.2101e-04 2.2976e-03 -6.0000e+00 1.6041e-02 2.8358e-04 -1.1666e-03 5.1681e-05 2.5069e-05 -6.0000e+00 1.1084e-03 2.0116e-02 -2.1179e-04 12 8 8 10 0 0 99.96 25.39 0.21 0.02012 0.01135 23 2 1 8 0 2335.390 20.00 25.39 22.56 35.25 33.75 0.9 974.33 6770 -2201 1128 9486 20279 -11534 -8400 -23316 -1848 -15655 -10300 -11085 1959 -2066 -2646 -342 -6479 3004 -2338 2120 -1518 1539 -2026 2217 275 1773 -1597 5455 3190 -4025 -2833 3011 299 5946 -7719 3007 -990 -2927 2202 1275 -120 2519 -84 917 542 2507 1251 825 -3111 738 1798 898 319 642 574 547 923 -550 -1225 2289 3366 3070 783 1970 -1064 -553 2420 -3023 763 749 421 550 -338 631 -591 -905 -444 -1840 -1351 -778 -2222 -539 -2154 -3084 -1958 -206 -141 -113 242 -453 118 -255 -176 -592 -471 -437 -53 1632 531 1534 44 -547 -2619 -56 669 -707 -289 440 -541 -143 730 380 -23 816 476 83 -741 494 -171 779 354 192 832 696 1322 581 -581 133 288 -353 293 -72 4 -777 -181 -53 -223 262 448 120 -164 -695 -919 635 -247 126 914 1565 -1188 -898 -3232 -231 -2389 -1487 -1668 292 -368 -493 -69 -1463 644 -553 497 -376 368 -517 578 77 511 -480 1439 797 -1071 -795 860 95 1871 -2625 896 -336 -1169 919 635 -67 1327 -47 514 303 1376 685 481 -1716 427 1003 544 206 439 409 399 686 -385 -913 1627 2423 2197 623 1669 -943 -455 1806 -2321 588 650 380 522 -326 585 -519 -771 -340 -1449 -1085 -645 -1972 -524 -2303 -3272 -2191 -243 -166 -138 298 -547 139 -278 -188 -605 -498 -476 -64 2042 686 2079 58 -668 -3215 -67 806 -921 -392 589 -768 -215 1100 593 -36 1175 670 115 -1013 687 -240 1162 520 281 1252 1013 1809 809 -779 173 395 -495 432 -111 7 -1206 -295 -88 -378 453 786 208 -273 -1125 -1518 SS 20260104T194453.1Z 9500.822837 638 1 53.41 2 64.08 96.85 102.30 290.37 0.00 1 0.00 1 0 17 1.117e-01 2.441e-02 1.634e-02 3.884e-03 2.889735e-01 1.995206e-03 3.559640e-03 -6.000000e+00 6.538314e-02 232.06 -2.00 3.69 -2.00 317.71 0.00e+00 -1.759375e-03 3.067571e-04 4.817261e-04 -6.000000e+00 2.786992e-03 278.43 -2.00 20.00 -2.00 317.04 0.00e+00 2.274 0.000 302.00 328.00 3 6.1510e+00 5.3214e-03 2.6908e-02 -6.0000e+00 1.6438e-01 6.1551e-02 5.9680e-03 1.6142e-02 -6.0000e+00 1.7765e-01 -4.6327e-02 3.6634e-03 7.6247e-03 -6.0000e+00 1.0517e-01 3.2391e-02 1.8197e-03 2.6465e-03 -6.0000e+00 4.4473e-02 9.0106e-05 -1.7606e-05 1.1337e-04 2.5783e-05 -6.0000e+00 3.0739e-03 2.0421e-02 -2.3322e-04 12 9 8 11 8 0 99.95 25.39 0.13 0.02042 0.02029 18 2 1 8 0 2966.780 20.00 25.39 23.17 35.25 33.75 0.9 977.11 28220 4791 8906 29638 88815 -12875 -6291 -45046 10867 -27807 -23178 -22549 8535 -2836 -3709 4414 -16365 7752 -10464 5793 -2390 6503 -3420 4452 53 3053 -4555 19884 6642 -6957 -9270 5544 985 16308 -16864 16419 3958 -7262 7751 5397 2997 7984 -238 2421 4572 7189 2697 3795 -7845 3670 6076 925 -21 -821 -299 -1576 1169 -2421 -5052 8858 7617 5466 189 2141 -3525 -1223 8013 -6069 2478 -854 604 171 -1840 1902 -1458 -1363 1277 -1286 -3314 -2391 -4083 1587 -1863 -4035 -3739 985 188 -34 23 -2443 -850 -2081 113 -690 -1632 -1778 -1676 2693 383 4679 2 -1222 -4700 1105 3141 -688 -881 2750 -203 -201 1440 -385 -1093 2032 1770 198 -1312 835 -1165 1536 329 -771 1667 485 3292 754 -1776 -885 -17 -787 603 -529 796 -1630 -703 359 -502 767 812 1071 -628 -977 -1363 2042 474 857 2144 3162 -1239 -610 -7217 1111 -4424 -3494 -3485 1080 -455 -680 818 -3887 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