File name: Pandora272s1_Lauder_20260202_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260202T130218.6Z 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_20260202_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: 20260202 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 20260201T203406.1Z 9528.857015 618 1 19.84 2 60.70 84.84 121.96 266.90 0.00 1 0.00 1 0 17 9.187e-03 6.942e-03 1.546e-03 8.936e-04 2.367082e-01 4.648040e-04 2.987093e-03 -6.000000e+00 5.375377e-03 231.41 -2.00 3.69 -2.00 315.68 0.00e+00 3.677977e-04 4.455474e-05 6.101077e-05 -6.000000e+00 2.300905e-04 279.32 -2.00 20.00 -2.00 315.08 0.00e+00 2.034 0.000 302.00 328.00 3 3.1342e+00 1.2075e-03 2.3334e-02 -6.0000e+00 1.3490e-02 2.5093e-02 1.3377e-03 1.2913e-02 -6.0000e+00 1.4575e-02 -2.6451e-03 7.6842e-04 6.2650e-03 -6.0000e+00 8.6377e-03 -1.4349e-03 3.4909e-04 1.7407e-03 -6.0000e+00 3.6672e-03 2.5194e-03 1.0332e-04 2.5403e-05 2.1583e-05 -6.0000e+00 2.5269e-04 1.5548e-02 8.6437e-05 12 9 1 12 1 1 99.87 25.40 0.32 0.01555 0.01632 45 13 2 8 0 431.080 19.99 25.40 25.95 35.25 33.75 0.7 986.96 -411 -60 -282 -1898 -1249 -2336 -1590 -1335 664 -1924 -2746 -1700 -395 -266 583 749 -457 825 918 1256 897 701 318 1067 598 1207 180 -247 -469 79 263 1567 1371 185 -3160 -1691 -2298 -1637 107 -197 -810 -367 -688 341 -398 103 -192 -493 -1062 -281 663 472 861 1058 788 711 880 455 239 394 942 1071 1495 1904 880 -215 -257 -1122 -112 579 693 532 554 704 332 -276 -473 -1125 -1086 -977 -1165 -1094 -1846 -2582 -1231 -567 -318 151 485 509 296 145 -277 -331 -195 93 329 1062 652 395 -24 -979 -1520 -667 -331 -811 -646 -417 -213 305 539 557 465 370 -124 -104 -30 14 216 423 7 302 478 376 590 620 127 521 366 226 298 64 -112 -326 -36 51 -104 399 64 -102 -293 -518 -956 -100 -16 -77 -491 -284 -514 -366 -339 183 -536 -763 -474 -121 -92 212 280 -180 332 383 540 394 306 142 469 276 574 87 -113 -211 35 120 711 670 95 -1582 -806 -1195 -916 63 -130 -569 -268 -498 247 -290 78 -143 -358 -756 -197 481 351 672 833 645 592 745 388 200 327 795 922 1334 1810 822 -196 -225 -954 -97 536 686 537 565 698 322 -253 -406 -945 -922 -880 -1136 -1097 -1943 -2865 -1388 -662 -379 187 607 621 347 161 -292 -340 -205 102 388 1295 836 508 -30 -1205 -1807 -783 -406 -1035 -833 -548 -292 427 774 800 671 516 -165 -131 -38 18 289 574 9 429 665 522 795 794 160 658 469 300 405 88 -158 -470 -53 77 -159 624 100 -161 -448 -789 -1421 SS 20260201T203917.2Z 9528.860616 621 1 54.38 2 59.79 83.87 122.82 265.97 0.00 1 0.00 1 0 17 9.712e-03 7.053e-03 1.038e-03 5.806e-04 2.300883e-01 3.020882e-04 2.903521e-03 -6.000000e+00 5.681910e-03 231.41 -2.00 3.69 -2.00 315.78 0.00e+00 3.581069e-04 2.953205e-05 6.500221e-05 -6.000000e+00 2.432299e-04 279.32 -2.00 20.00 -2.00 315.18 0.00e+00 1.979 0.000 302.00 328.00 3 3.3168e+00 7.8546e-04 2.2702e-02 -6.0000e+00 1.4259e-02 2.7515e-02 8.7044e-04 1.2567e-02 -6.0000e+00 1.5406e-02 -2.7537e-03 5.0067e-04 6.0960e-03 -6.0000e+00 9.1304e-03 -6.2105e-04 2.2820e-04 1.6939e-03 -6.0000e+00 3.8761e-03 2.2324e-03 1.0012e-04 1.6533e-05 2.0837e-05 -6.0000e+00 2.6712e-04 1.5723e-02 7.2960e-05 11 8 0 10 0 0 99.87 25.40 0.34 0.01572 0.01648 259 27 4 8 0 209.950 20.00 25.40 26.14 35.25 33.75 0.7 988.71 -605 -592 -605 -1830 -968 -2718 -2012 -1989 -69 -2253 -2728 -1670 -652 96 613 785 -602 945 543 1193 982 720 1221 1152 488 1503 25 -364 -538 238 442 1330 1156 132 -3554 -1521 -2742 -1458 -223 338 -652 -178 -828 341 -243 157 -205 -449 -1203 -243 706 734 944 1214 815 807 928 347 102 410 920 1187 1532 1838 696 -157 -176 -1042 -63 570 594 614 319 597 216 -187 -571 -1245 -1108 -1056 -1260 -1107 -1865 -2649 -1305 -732 -296 171 657 426 322 144 -187 -320 -94 -56 273 1041 666 375 3 -801 -1635 -625 -387 -767 -645 -297 -314 240 699 603 407 333 -33 -82 -101 70 249 428 194 266 539 343 599 576 28 402 490 231 308 -3 -143 -373 60 47 -127 341 49 -152 -251 -512 -925 -139 -149 -155 -445 -206 -564 -437 -477 -18 -635 -763 -468 -185 31 220 286 -232 370 221 499 419 305 525 522 217 684 12 -160 -234 100 195 617 539 65 -1694 -687 -1358 -766 -130 217 -466 -125 -605 249 -178 114 -147 -330 -869 -173 519 545 736 945 660 664 776 292 85 336 768 1052 1394 1700 657 -145 -158 -906 -56 536 590 617 325 590 210 -173 -501 -1026 -921 -970 -1184 -1150 -2013 -2890 -1496 -863 -353 212 820 519 380 162 -201 -339 -97 -63 313 1264 843 476 4 -984 -1886 -742 -477 -974 -822 -396 -423 339 1004 889 587 467 -44 -106 -127 90 327 584 277 380 754 482 792 753 35 506 619 312 423 -4 -200 -537 88 71 -197 538 76 -243 -388 -770 -1401 SS 20260201T205755.8Z 9528.873562 630 1 53.55 2 56.53 80.28 125.90 262.52 0.00 1 0.00 1 0 17 4.892e-02 1.965e-02 6.720e-03 3.089e-03 2.096294e-01 1.598923e-03 2.585410e-03 -6.000000e+00 2.858993e-02 231.41 -2.00 3.69 -2.00 316.40 0.00e+00 -8.937817e-04 1.788047e-04 1.312823e-04 -6.000000e+00 1.225817e-03 279.32 -2.00 20.00 -2.00 315.75 0.00e+00 1.807 0.000 302.00 328.00 3 6.3540e+00 4.1852e-03 2.0662e-02 -6.0000e+00 7.1742e-02 3.5331e-02 4.6523e-03 1.1429e-02 -6.0000e+00 7.7552e-02 -8.5003e-03 2.7054e-03 5.4953e-03 -6.0000e+00 4.5961e-02 1.2413e-02 1.2630e-03 1.7043e-03 -6.0000e+00 1.9483e-02 1.3050e-04 -4.4215e-04 8.9833e-05 1.8964e-05 -6.0000e+00 1.3466e-03 1.8718e-02 -2.2621e-04 12 8 8 10 0 0 99.97 25.39 0.26 0.01872 0.01540 23 2 1 8 0 2328.100 19.99 25.39 27.73 35.25 33.75 0.7 995.64 5925 -1407 3144 7121 30717 -3930 -9857 -21005 191 -18872 -8558 -1847 7783 6156 -4025 3033 -10245 4443 -5085 1400 -773 4689 -424 6041 2154 7180 -4935 3127 2071 -1725 -5592 4439 217 8871 -13818 7321 -1670 -3236 2208 5292 -1655 5341 -2394 -421 471 3867 439 731 -6110 2631 2378 259 744 376 -345 -120 439 -1338 -2696 4583 4078 2783 432 1771 -1479 -1706 4260 -5094 1570 525 997 588 -93 1594 -891 -1155 782 -2122 -4102 -863 -2677 -375 -3426 -4150 -2497 136 174 136 1427 -691 82 -1958 772 -791 -1262 -819 -1424 2297 884 3564 931 -670 -4296 1226 2143 -540 -259 1788 -290 -296 902 -260 -424 1122 1396 563 -1680 439 -538 1250 -245 -747 1524 -178 2544 801 -1629 -249 -601 -732 904 -316 790 -1011 -385 17 -242 -235 764 500 208 -866 -1001 1039 -285 614 1234 3711 -648 -1832 -4847 39 -4963 -1993 -407 1707 1532 -1238 942 -3401 1436 -1696 495 -284 1612 -157 2215 779 2812 -1983 1190 729 -613 -2146 1623 89 3405 -5646 2594 -706 -1452 1119 3048 -1118 3497 -1740 -302 332 2615 300 481 -4174 1632 1543 183 548 292 -256 -90 335 -1037 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