File name: Pandora272s1_Lauder_20260130_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260130T130054.4Z 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_20260130_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: 20260130 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 20260129T181720.9Z 9525.762047 473 1 54.71 2 83.82 109.04 135.23 267.56 0.00 1 0.00 1 0 25 5.654e-01 3.198e-02 1.712e-01 4.942e-03 7.695200e-01 2.922818e-03 9.142485e-03 -6.000000e+00 3.428512e-01 231.55 -2.00 3.69 -2.00 321.74 0.00e+00 4.802196e-04 1.502819e-03 5.046095e-03 -6.000000e+00 1.674320e-02 279.25 -2.00 20.00 -2.00 321.28 0.00e+00 8.346 0.007 302.00 328.00 3 6.1612e-01 1.0483e-02 9.4358e-02 -6.0000e+00 8.6162e-01 7.5926e-01 1.4210e-02 5.6975e-02 -6.0000e+00 9.3841e-01 -1.1669e+00 1.2832e-02 2.7972e-02 -6.0000e+00 5.5120e-01 4.9847e-01 5.9644e-03 7.4195e-03 -6.0000e+00 2.3119e-01 5.3398e-05 7.7552e-04 1.4715e-04 1.3000e-04 -6.0000e+00 1.6637e-02 1.8819e-02 2.6971e-05 12 8 8 10 0 0 -27.89 25.29 0.66 0.01882 0.02465 70 7 4 8 0 781.520 20.00 25.29 13.25 35.00 33.75 1.2 935.80 -508 35435 -53662 900000 900000 900000 2032 -165102 -86224 -161988 -38131 -13885 900000 900000 -7222 271515 -57981 900000 -16594 900000 -8791 900000 59424 900000 18711 900000 -7405 900000 232008 7350 -8169 900000 26139 900000 -80716 900000 38966 85975 135252 900000 47158 22122 10071 34055 77760 900000 102769 168051 -9217 122332 169770 78576 55803 43215 43333 31585 46188 20738 11580 75140 134653 38146 17500 35221 10356 20039 81785 -314 40522 11720 16493 12129 8059 18972 6619 5526 13801 13255 -3218 4134 1313 8352 -5512 -6238 -6010 581 972 -3465 1737 -5015 825 -6862 -1666 190 -6519 -5302 -6566 631 -3471 2837 -1877 -1284 -8460 495 2745 -3467 -3663 2427 -4237 -2172 -544 -1492 -1141 1018 2623 92 -1642 1173 -1612 1572 -97 -567 3121 1260 5753 3086 954 -410 1723 337 2071 935 576 -164 509 -151 -506 87 67 -93 -760 -1108 -1941 -7 371 -1359 900000 900000 900000 21 -9733 -2447 -10045 -683 -212 900000 900000 -180 1304 -2937 900000 -601 900000 -284 900000 934 900000 482 900000 -246 900000 1114 212 -322 900000 954 900000 -7578 900000 1254 1982 2274 900000 2492 1573 827 2192 3175 900000 3258 2825 -947 3584 3425 4378 4235 4027 4267 3611 4659 2660 1552 5125 5110 4104 2614 4991 2000 3456 7582 -69 6443 2854 4254 3420 2342 4648 1666 1253 2672 2611 -836 1193 462 3173 -2441 -2969 -3058 296 519 -1996 958 -2878 418 -3527 -871 101 -3778 -3561 -5247 548 -3513 2755 -1827 -1140 -7281 380 2209 -3168 -3554 2405 -4543 -2585 -724 -2193 -1725 1492 3644 126 -2297 1668 -2505 2487 -156 -886 4552 1815 7622 4084 1257 -561 2606 547 3704 1852 1221 -346 1148 -366 -1266 219 172 -228 -1767 -2428 -4071 SS 20260129T182355.4Z 9525.766613 476 1 54.34 2 82.72 107.92 136.33 266.39 0.00 1 0.00 1 0 17 6.258e-01 1.891e-02 1.571e-01 2.564e-03 7.157977e-01 1.404562e-03 8.780929e-03 -6.000000e+00 3.665547e-01 231.55 -2.00 3.69 -2.00 321.19 0.00e+00 5.092457e-04 6.550322e-04 5.003919e-03 -6.000000e+00 1.626836e-02 279.25 -2.00 20.00 -2.00 320.69 0.00e+00 7.288 0.004 302.00 328.00 3 5.7076e-01 4.6564e-03 8.3696e-02 -6.0000e+00 9.1959e-01 2.3632e-01 6.4381e-03 5.2134e-02 -6.0000e+00 9.9380e-01 -3.7560e-01 6.5797e-03 2.5011e-02 -6.0000e+00 5.8879e-01 1.5858e-01 3.1247e-03 6.6229e-03 -6.0000e+00 2.5063e-01 1.6059e-04 3.0138e-04 7.1040e-05 1.1149e-04 -6.0000e+00 1.7745e-02 1.9202e-02 2.3329e-05 12 8 8 10 0 0 -13.08 25.28 0.55 0.01920 0.02147 133 14 4 8 0 408.530 20.00 25.28 13.65 35.00 34.00 1.2 937.68 -187734 -142802 -194407 900000 900000 -132367 -179260 -231438 -200271 -239569 -161770 -134351 -80721 12618 -85409 21186 -120093 173385 -43489 53011 -49938 177150 -22724 29497 -21864 106545 -45273 45374 20538 -47670 -39648 78480 -9001 127269 -70294 153859 -30984 -2853 30765 49497 11893 58375 -9241 2657 17197 44377 28485 28565 -9582 26154 30352 21141 11369 11054 12240 6978 13669 7072 -487 17320 20226 7482 3801 9726 3531 5779 15078 -106 9182 4111 2979 4946 2353 7483 517 1069 -359 1192 -4281 18 -2633 1044 -3587 -3662 -2914 -1089 33 -685 114 -1228 120 -2448 -1505 -760 -3236 -1940 -1894 728 -611 835 -795 -1720 -3917 -634 955 -1701 -1906 536 -1490 -87 522 181 -250 752 710 54 -379 705 -210 862 512 5 1285 651 2125 935 279 18 587 196 1123 72 -74 -587 14 -49 -124 85 294 -221 -180 -538 -953 -2431 -1363 -3313 900000 900000 -1053 -2485 -6100 -4368 -8437 -2757 -1984 -968 76 -1708 175 -4592 433 -924 450 -1211 443 -443 376 -503 719 -1426 556 313 -1561 -1437 1040 -333 1304 -5007 1154 -1634 -134 1269 2054 817 2714 -889 232 1311 2629 2022 2099 -1087 2236 2792 2404 1571 1685 1982 1249 2374 1317 -95 2762 3205 1470 881 2424 1003 1587 3769 -32 2775 1373 1128 1941 947 2720 185 375 -119 391 -1498 7 -1278 566 -2275 -2277 -1930 -761 24 -520 87 -924 83 -1636 -1051 -539 -2396 -1651 -1882 757 -717 985 -911 -1826 -3840 -635 930 -1814 -2152 637 -1840 -119 800 282 -400 1173 1061 83 -584 1046 -334 1425 854 9 1989 982 3245 1401 408 28 908 346 2054 145 -149 -1261 32 -113 -297 206 721 -528 -405 -1213 -2056 SS 20260129T182922.6Z 9525.770401 478 1 54.44 2 81.81 106.99 137.23 265.40 0.00 1 0.00 1 0 17 4.288e-01 1.104e-02 6.615e-02 1.617e-03 6.633360e-01 8.684819e-04 7.956244e-03 -6.000000e+00 2.511776e-01 231.55 -2.00 3.69 -2.00 320.72 0.00e+00 7.327190e-04 3.566911e-04 2.649281e-03 -6.000000e+00 1.092518e-02 279.25 -2.00 20.00 -2.00 320.18 0.00e+00 6.579 0.003 302.00 328.00 3 4.8172e-01 2.7115e-03 7.3650e-02 -6.0000e+00 6.3020e-01 9.0531e-02 3.5722e-03 4.0657e-02 -6.0000e+00 6.8104e-01 -1.3460e-01 3.6170e-03 2.0715e-02 -6.0000e+00 4.0328e-01 5.0742e-02 1.7788e-03 6.0084e-03 -6.0000e+00 1.7113e-01 3.4967e-04 1.8545e-04 4.4195e-05 8.0353e-05 -6.0000e+00 1.1918e-02 1.9149e-02 3.9838e-05 12 8 8 10 0 0 14.51 25.28 0.42 0.01915 0.02054 207 21 4 8 0 262.980 20.00 25.28 13.98 35.00 33.75 1.2 939.53 -170220 -132256 -161741 -55399 900000 -69320 -102050 -207360 -183175 -160701 -126907 -99331 -74441 -31677 -67465 -2861 -71980 -9135 -55167 16341 -25268 -2931 -20664 4583 -4520 10649 -35215 -18887 -15104 -23414 -27820 8003 -15630 25278 -41309 25120 -18524 -7059 3151 12434 -2161 15243 -6667 -1304 3653 12310 6401 9477 -8558 7004 6925 5296 4263 3484 3554 2233 3734 1120 -1520 3598 8223 2438 1693 4484 1188 1728 5225 -2552 2981 2032 2382 1984 738 2659 -99 -440 -1536 -1549 -2430 -1535 -1480 -312 -2257 -2370 -1490 -152 142 335 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