File name: Pandora272s1_Lauder_20260111_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260111T125453.3Z 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_20260111_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: 20260111 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 20260110T193400.9Z 9506.815288 592 1 6.20 2 66.95 98.42 35.85 335.41 0.00 1 0.00 1 0 17 1.744e-02 7.462e-03 9.193e-03 3.081e-03 3.041256e-01 1.592214e-03 3.787303e-03 -6.000000e+00 1.023055e-02 232.12 -2.00 3.69 -2.00 317.07 0.00e+00 3.781442e-04 2.104043e-04 1.975922e-04 -6.000000e+00 4.357412e-04 278.70 -2.00 20.00 -2.00 316.41 0.00e+00 2.534 0.000 302.00 328.00 3 3.6159e+00 4.2152e-03 2.9398e-02 -6.0000e+00 2.5725e-02 1.1377e-03 4.6979e-03 1.6658e-02 -6.0000e+00 2.7783e-02 -1.5912e-03 2.8126e-03 8.0868e-03 -6.0000e+00 1.6449e-02 2.7490e-04 1.3761e-03 2.2420e-03 -6.0000e+00 6.9689e-03 8.8739e-04 -1.6489e-04 8.8230e-05 2.4988e-05 -6.0000e+00 4.7983e-04 1.4844e-02 3.2152e-05 12 9 1 12 1 1 99.82 25.52 0.36 0.01484 0.01360 6 7 2 8 0 822.370 19.99 25.52 23.96 35.25 34.00 0.8 980.11 -5297 5628 236 -70 4685 -2187 -2003 -5052 -2650 -8546 -6732 -2276 694 -1369 -1033 2629 -3351 1099 153 3237 -2025 854 2306 2186 380 2205 -1187 95 -288 -380 731 1270 130 1619 -5490 -1711 -2062 -2615 -234 89 -1132 984 -1057 594 560 4 548 382 -1710 -1407 699 722 274 559 667 258 793 353 -144 -146 1360 1778 1268 1478 1192 374 668 -1810 119 1150 1199 614 764 799 201 -441 -856 -1478 -1308 -744 -1432 -1150 -1522 -2224 -1047 -487 -132 -65 780 187 721 -315 -18 -330 -304 -106 331 1241 467 558 -337 -876 -1974 -256 -193 -901 -811 -467 -243 276 388 360 471 252 -35 -127 61 468 -256 384 174 638 419 585 545 586 78 269 370 -174 309 -483 -269 -351 320 -114 -161 384 565 -115 -248 -471 -813 -587 619 28 -8 503 -242 -236 -621 -355 -1298 -1006 -336 113 -263 -228 574 -823 270 40 851 -574 234 640 646 121 716 -373 30 -86 -112 229 430 45 578 -1994 -581 -765 -1126 -109 46 -657 552 -627 353 332 2 323 221 -998 -824 423 472 179 389 484 192 601 270 -108 -109 1022 1342 1049 1249 1031 307 538 -1454 97 993 1095 596 749 760 180 -379 -704 -1152 -1041 -624 -1301 -1163 -1597 -2355 -1168 -557 -158 -78 942 221 827 -350 -19 -336 -320 -118 388 1549 612 735 -443 -1079 -2374 -300 -234 -1177 -1063 -642 -338 391 586 544 699 368 -49 -172 81 634 -357 550 260 942 608 852 751 801 106 358 498 -244 458 -728 -415 -536 513 -188 -275 645 968 -196 -420 -772 -1338 SS 20260110T193826.2Z 9506.818358 594 1 54.34 2 66.17 97.69 36.16 333.68 0.00 1 0.00 1 0 17 1.348e-02 6.834e-03 1.927e-03 6.537e-04 2.995835e-01 3.374911e-04 3.749303e-03 -6.000000e+00 7.906663e-03 232.12 -2.00 3.69 -2.00 317.11 0.00e+00 4.850811e-04 4.502274e-05 1.863717e-04 -6.000000e+00 3.367459e-04 278.70 -2.00 20.00 -2.00 316.46 0.00e+00 2.457 0.000 302.00 328.00 3 2.9679e+00 8.9436e-04 2.8700e-02 -6.0000e+00 1.9882e-02 8.3539e-03 9.9574e-04 1.6464e-02 -6.0000e+00 2.1472e-02 -8.3720e-03 5.9470e-04 7.9944e-03 -6.0000e+00 1.2713e-02 1.3725e-03 2.9132e-04 2.2204e-03 -6.0000e+00 5.3860e-03 1.8291e-03 -2.0116e-04 1.8631e-05 2.4948e-05 -6.0000e+00 3.7082e-04 1.4763e-02 3.8393e-05 11 8 0 10 0 0 99.99 25.52 0.29 0.01476 0.01325 403 42 4 8 0 134.830 20.00 25.52 24.33 35.25 34.00 0.8 981.88 -3089 -863 -2296 -1661 637 -4696 -2840 -5384 -1730 -3843 -4501 -4061 -2923 -1502 -255 670 -772 782 556 1881 1094 1230 670 1329 405 677 135 -100 -1120 -876 153 1423 1162 600 -3466 -1756 -3547 -2079 -161 293 -516 124 -515 598 -56 287 -182 -138 -1242 -468 813 843 920 1197 563 794 1129 134 26 479 1079 1336 1628 2031 759 -46 72 -814 85 867 815 629 300 659 150 -368 -946 -1333 -1185 -1232 -1455 -1098 -1737 -2409 -1221 -596 -300 271 726 562 296 51 -337 -389 -114 -3 243 962 608 269 -152 -953 -1690 -601 -489 -784 -685 -361 -294 334 552 746 397 336 -8 -217 -157 150 126 418 244 334 571 444 572 560 33 292 367 119 289 29 -166 -291 -72 14 -105 325 128 -121 -140 -509 -857 -362 -109 -278 -208 70 -521 -328 -709 -245 -539 -636 -590 -475 -278 -54 156 -193 202 151 479 287 321 180 377 122 212 43 -30 -319 -246 46 453 405 221 -1258 -608 -1358 -835 -76 151 -298 70 -303 353 -33 170 -108 -80 -716 -269 487 544 629 813 402 577 836 100 19 348 798 1052 1310 1758 641 -39 57 -629 67 769 760 589 285 638 137 -323 -756 -1068 -969 -1060 -1341 -1065 -1839 -2561 -1368 -681 -361 322 871 692 340 57 -363 -398 -120 -4 283 1190 784 350 -198 -1161 -2012 -702 -617 -1012 -923 -489 -418 482 814 1136 596 499 -11 -289 -213 200 178 608 369 502 841 633 805 752 45 383 506 169 418 44 -249 -449 -117 23 -173 548 221 -205 -237 -838 -1370 SS 20260110T195015.7Z 9506.826571 598 1 54.39 2 64.10 95.71 37.10 329.17 0.00 1 0.00 1 0 17 1.381e-02 7.183e-03 2.077e-03 8.506e-04 2.765830e-01 4.407445e-04 3.468428e-03 -6.000000e+00 8.099228e-03 232.12 -2.00 3.69 -2.00 316.66 0.00e+00 1.648355e-04 5.219670e-05 1.330573e-04 -6.000000e+00 3.449513e-04 278.70 -2.00 20.00 -2.00 316.02 0.00e+00 2.276 0.000 302.00 328.00 3 3.7290e+00 1.1598e-03 2.6530e-02 -6.0000e+00 2.0366e-02 2.3425e-03 1.2894e-03 1.5165e-02 -6.0000e+00 2.1995e-02 -1.7302e-03 7.5558e-04 7.3640e-03 -6.0000e+00 1.3022e-02 -6.3322e-04 3.6024e-04 2.0344e-03 -6.0000e+00 5.5172e-03 1.0497e-03 -8.8987e-05 2.4302e-05 2.3297e-05 -6.0000e+00 3.7985e-04 1.4672e-02 3.3918e-05 11 8 0 10 0 0 99.97 25.51 0.25 0.01467 0.01400 88 9 1 8 0 618.010 19.99 25.51 24.43 35.25 33.75 0.7 978.96 -716 -172 -1864 -935 5101 -3719 -2183 -5816 75 -4642 -5097 -3970 -1158 -399 -340 1343 -1733 1049 -401 2118 -132 856 1496 1710 338 1189 -10 625 -419 -917 -460 2049 1629 1279 -3719 -1029 -2501 -2140 276 -52 -554 367 -788 336 -258 112 -55 -258 -1631 -477 1000 674 825 1013 510 929 944 294 -58 976 1452 1400 1353 1803 604 -185 334 -1270 249 768 636 897 76 582 -124 -330 -918 -1476 -1088 -1071 -1400 -920 -1803 -2538 -1307 -465 -133 207 783 437 359 63 -194 -263 -247 212 201 939 535 434 6 -1035 -1707 -695 -327 -739 -704 -367 -354 179 502 561 412 453 112 -217 -112 68 84 491 108 162 589 461 749 681 -28 432 482 205 334 -28 -155 -390 -74 -17 -92 303 180 -111 -223 -415 -911 -103 -27 -307 -144 658 -504 -309 -950 13 -890 -979 -774 -246 -88 -86 372 -521 319 -119 638 -41 265 472 571 120 437 -4 221 -139 -300 -159 745 645 532 -1536 -401 -1076 -981 137 -29 -342 236 -499 214 -165 71 -35 -168 -1063 -308 668 457 591 725 382 708 734 231 -45 740 1121 1153 1148 1557 536 -163 272 -1018 204 667 614 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