File name: Pandora272s1_Lauder_20260108_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260108T125734.8Z 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_20260108_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: 20260108 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 20260107T195525.0Z 9503.830151 631 1 55.49 2 62.70 94.99 68.27 304.40 0.00 1 0.00 1 0 17 4.372e-02 1.325e-02 5.978e-03 2.152e-03 2.611675e-01 1.108871e-03 3.269142e-03 -6.000000e+00 2.560462e-02 232.09 -2.00 3.69 -2.00 317.02 0.00e+00 -4.972931e-04 1.435207e-04 2.042896e-04 -6.000000e+00 1.091904e-03 278.57 -2.00 20.00 -2.00 316.36 0.00e+00 2.169 0.000 302.00 328.00 3 5.4581e+00 2.9296e-03 2.5202e-02 -6.0000e+00 6.4375e-02 4.1516e-02 3.2666e-03 1.4399e-02 -6.0000e+00 6.9568e-02 -1.6078e-02 1.9423e-03 6.9529e-03 -6.0000e+00 4.1188e-02 1.1510e-02 9.3993e-04 2.0132e-03 -6.0000e+00 1.7418e-02 2.0826e-04 -1.0954e-03 6.1996e-05 2.2446e-05 -6.0000e+00 1.2037e-03 2.0140e-02 -2.5064e-04 12 9 8 11 8 0 99.86 25.41 0.12 0.02014 0.01191 21 2 1 8 0 2642.190 20.00 25.41 22.07 35.25 34.00 0.9 972.11 5561 226 2897 11564 30596 -1847 -6575 -21013 -55 -15166 -6875 -7878 6105 -367 -5109 2647 -6728 3204 -6475 3482 -3068 2006 -1786 2842 938 1458 -3407 7656 2228 -3613 -3141 2109 1473 5921 -9338 4435 -400 -3986 2323 2018 -183 2957 -531 494 262 2660 1126 1482 -3449 1069 2137 1015 403 393 -737 -201 898 -491 -2337 3248 3744 3030 573 1629 -1290 -1137 3002 -3288 872 803 1605 665 -235 840 -679 -765 318 -1464 -2044 -1316 -2166 -163 -2109 -3426 -2488 38 141 -153 196 -843 36 -607 248 313 -505 -284 -516 1763 599 2100 102 -1081 -2868 -76 1234 -893 -391 382 -151 -452 1021 378 -557 1122 706 4 -728 342 -227 762 123 -345 642 637 1927 672 -674 -47 194 -157 405 23 141 -837 -613 202 -224 402 637 186 -504 -588 -1063 696 32 412 1405 2729 -221 -878 -3607 -8 -2887 -1193 -1415 1063 -77 -1164 613 -1784 797 -1844 928 -887 547 -520 838 295 474 -1169 2208 626 -1057 -966 658 499 1988 -3428 1383 -143 -1701 1113 1047 -107 1747 -335 312 164 1626 686 876 -2097 621 1290 664 280 266 -525 -145 654 -363 -1724 2430 2635 2289 481 1448 -1189 -973 2286 -2583 682 707 1442 635 -229 783 -649 -660 245 -1165 -1539 -1095 -2044 -155 -2211 -3811 -2730 44 171 -194 251 -1059 41 -692 257 307 -515 -316 -597 2220 771 2834 133 -1330 -3340 -86 1494 -1177 -535 511 -213 -678 1506 576 -838 1658 964 5 -972 466 -310 1106 187 -523 947 908 2732 918 -887 -60 259 -226 572 35 212 -1304 -946 328 -376 688 1107 319 -840 -948 -1668 SS 20260107T201731.2Z 9503.845499 645 1 13.71 2 58.80 91.20 71.42 299.77 0.00 1 0.00 1 0 17 8.837e-03 6.832e-03 7.026e-04 4.405e-04 2.334506e-01 2.303310e-04 2.942164e-03 -6.000000e+00 5.183639e-03 232.09 -2.00 3.69 -2.00 315.40 0.00e+00 4.746781e-04 2.071299e-05 4.434398e-05 -6.000000e+00 2.206389e-04 278.57 -2.00 20.00 -2.00 314.83 0.00e+00 1.923 0.000 302.00 328.00 3 1.5084e+00 5.9772e-04 2.2384e-02 -6.0000e+00 1.3034e-02 2.6619e-02 6.6129e-04 1.2755e-02 -6.0000e+00 1.4077e-02 -3.7803e-03 3.7846e-04 6.1789e-03 -6.0000e+00 8.3340e-03 -1.3488e-03 1.6906e-04 1.7233e-03 -6.0000e+00 3.5309e-03 1.4261e-02 1.5107e-04 1.2475e-05 2.1662e-05 -6.0000e+00 2.4309e-04 1.5625e-02 1.0406e-04 12 9 1 12 1 1 99.59 25.42 0.34 0.01563 0.01676 164 68 2 8 0 83.030 20.00 25.42 24.00 35.25 33.75 0.8 980.54 -236 -340 -443 -1853 -2734 -2170 -1229 -290 231 -782 -1891 -1721 -778 -159 874 544 228 595 708 1170 1134 717 1343 856 564 780 431 -227 -707 176 819 1190 1544 123 -2416 -2100 -2262 -1571 -313 -176 -586 -590 -616 399 -376 -169 -360 -461 -1002 -459 590 619 912 1135 828 655 797 478 348 317 789 1109 1572 1816 834 -170 -261 -841 -58 586 514 649 376 597 192 -224 -687 -1343 -1102 -924 -1235 -1163 -1734 -2520 -1207 -685 -212 244 649 491 354 226 -264 -373 -13 49 396 910 603 232 22 -829 -1438 -596 -408 -778 -635 -515 -334 245 581 638 402 254 -132 -140 -21 11 264 456 174 383 566 416 574 523 173 360 451 239 295 3 -232 -244 -8 12 -141 235 110 -105 -184 -500 -945 -65 -101 -135 -539 -757 -571 -338 -82 72 -244 -590 -543 -270 -58 342 235 98 262 324 524 517 325 617 416 274 391 218 -114 -330 84 386 594 788 66 -1254 -1049 -1226 -889 -200 -122 -420 -441 -459 298 -282 -131 -274 -341 -726 -340 436 472 730 925 701 547 677 408 292 264 668 966 1431 1713 802 -158 -230 -741 -51 552 507 658 386 612 191 -208 -614 -1161 -960 -835 -1186 -1201 -1840 -2748 -1349 -800 -255 296 796 603 415 255 -281 -393 -13 54 461 1114 763 296 27 -988 -1686 -691 -499 -973 -809 -673 -445 336 822 926 571 353 -174 -178 -26 14 347 617 242 530 784 571 759 674 218 451 575 311 396 3 -325 -342 -11 17 -214 365 171 -161 -278 -750 -1412 SS 20260107T202154.5Z 9503.848547 647 1 54.32 2 58.03 90.43 72.06 298.87 0.00 1 0.00 1 0 17 9.135e-03 6.883e-03 2.868e-04 1.764e-04 2.280419e-01 9.222653e-05 2.869877e-03 -6.000000e+00 5.358139e-03 232.09 -2.00 3.69 -2.00 315.44 0.00e+00 4.705114e-04 8.370382e-06 4.115202e-05 -6.000000e+00 2.280602e-04 278.57 -2.00 20.00 -2.00 314.87 0.00e+00 1.882 0.000 302.00 328.00 3 1.0967e+00 2.3951e-04 2.1885e-02 -6.0000e+00 1.3473e-02 2.0577e-02 2.6499e-04 1.2453e-02 -6.0000e+00 1.4551e-02 -3.2271e-03 1.5175e-04 6.0335e-03 -6.0000e+00 8.6145e-03 -1.1918e-03 6.7995e-05 1.6863e-03 -6.0000e+00 3.6499e-03 2.2644e-02 1.9259e-04 5.0073e-06 2.0984e-05 -6.0000e+00 2.5127e-04 1.5663e-02 1.1270e-04 11 8 0 10 0 0 99.98 25.42 0.33 0.01566 0.01711 1797 186 2 8 0 30.220 19.99 25.42 24.40 35.25 33.75 0.8 982.98 -241 -176 -408 -2341 -2966 -2216 -1457 -241 268 -840 -2187 -1764 -867 -357 712 457 257 627 982 1279 1206 770 1363 895 639 930 343 -304 -497 298 804 1123 1533 56 -2439 -2206 -2364 -1498 -370 -215 -648 -595 -540 448 -355 -178 -364 -475 -861 -411 545 632 889 1147 824 751 854 484 315 299 762 1025 1499 1766 810 -174 -356 -886 -76 673 558 637 365 557 216 -181 -592 -1323 -1083 -957 -1174 -1178 -1819 -2557 -1181 -689 -252 229 595 542 403 246 -249 -309 -41 91 422 952 637 181 -23 -827 -1446 -678 -480 -763 -599 -477 -330 267 572 624 411 293 -126 -164 -70 18 242 455 139 380 503 428 540 574 148 452 483 253 274 14 -205 -272 43 -11 -123 309 124 -149 -257 -510 -935 -66 -49 -117 -684 -771 -546 -375 -68 78 -259 -676 -549 -296 -129 270 191 112 265 429 576 553 351 630 437 309 464 174 -146 -232 135 379 560 775 30 -1253 -1092 -1269 -868 -229 -150 -479 -440 -412 343 -272 -136 -274 -347 -640 -302 397 491 696 945 679 629 727 414 265 250 648 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