File name: Pandora272s1_Lauder_20260316_L2Fit_fout2c2d20241202p1-8.txt File generation date: 20260316T125526.8Z 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 v1.8.88 Instrument operation file used: Pandora272_OF_v3d20240829.txt Instrument calibration file used: Pandora272s1_CF_v2d20241202.txt Level 1 file used: Pandora272s1_Lauder_20260316_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: 20260316 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 20260315T195002.3Z 9570.826415 442 1 53.71 2 78.12 80.62 41.67 61.86 0.00 1 0.00 1 0 17 3.269e-01 1.896e-02 5.292e-02 2.883e-03 5.528790e-01 1.505265e-03 6.745056e-03 -6.000000e+00 1.890129e-01 228.04 -2.00 3.69 -2.00 320.15 0.00e+00 -3.495585e-05 5.130481e-04 1.803928e-03 -6.000000e+00 8.324245e-03 279.03 -2.00 20.00 -2.00 319.58 0.00e+00 4.707 0.001 302.00 328.00 3 3.2402e+00 4.4193e-03 5.4600e-02 -6.0000e+00 4.7023e-01 6.0535e-02 5.4357e-03 3.2155e-02 -6.0000e+00 5.0959e-01 -1.2404e-01 4.8317e-03 1.5928e-02 -6.0000e+00 3.0256e-01 6.0886e-02 2.4597e-03 4.5103e-03 -6.0000e+00 1.2925e-01 1.3069e-04 2.9646e-04 8.1225e-05 5.6400e-05 -6.0000e+00 9.0741e-03 2.1248e-02 1.3426e-06 12 9 8 11 32 0 49.45 25.21 0.13 0.02125 0.02348 38 4 2 8 0 1413.220 20.01 25.21 15.52 35.00 33.75 1.1 945.88 -76418 -76574 -113461 -42209 900000 -62341 -86574 -146743 -69448 -158529 -136426 -78931 -31042 -5144 -35258 21412 -57483 13672 -59215 49471 -29691 29990 -28728 1925 2103 41759 -17909 41250 15636 -18154 -18631 29888 3764 69674 2329 29883 -1141 -10984 11997 26520 -2638 32489 -148 5813 12061 19691 10272 11880 -9578 10847 16422 9565 6348 -1444 2709 1645 7786 -1843 -2080 10566 13755 6851 4165 1332 -1888 -1861 8537 -3779 4081 174 873 143 -1641 2972 -1196 -587 134 -1435 -2181 -1522 -2537 -451 -3465 -3644 -2483 -202 -867 -941 1001 -1323 965 -1291 -69 -1168 -656 -90 -1453 1400 620 1046 -888 -1475 -3390 243 407 37 -182 -559 -1142 -106 721 337 76 829 585 126 -601 825 -217 1047 11 -363 1257 913 2325 720 -350 -444 269 -118 926 -213 257 -459 -298 10 -171 199 147 46 -302 -358 -1023 -1094 -1252 -2841 -496 900000 -894 -1728 -5512 -1503 -8264 -6519 -2352 -698 -110 -1239 500 -3264 415 -3995 1182 -1602 894 -1623 88 103 1455 -1158 1415 664 -1138 -1351 1537 287 2938 185 1781 -103 -1281 1359 3131 -470 4356 -29 1090 2136 3277 1897 2194 -2259 2195 3457 2393 1622 -434 830 530 2435 -637 -702 3089 3993 2311 1616 594 -911 -869 3504 -1784 1917 97 496 86 -1010 1821 -705 -309 65 -690 -1142 -922 -1653 -329 -2865 -3200 -2129 -182 -827 -930 981 -1289 857 -1180 -59 -1007 -611 -88 -1642 1633 801 1358 -1117 -1718 -3949 268 483 43 -226 -742 -1534 -156 1151 538 123 1366 911 187 -884 1239 -348 1756 18 -611 2022 1423 3406 1031 -523 -665 408 -200 1591 -397 469 -880 -608 20 -361 425 319 97 -641 -722 -1992 SS 20260315T204401.7Z 9570.863908 483 1 42.92 2 68.90 70.32 34.28 45.23 0.00 1 0.00 1 0 17 5.118e-02 1.001e-02 8.696e-03 1.948e-03 3.369811e-01 9.873057e-04 4.188466e-03 -6.000000e+00 2.955282e-02 228.04 -2.00 3.69 -2.00 317.79 0.00e+00 4.102075e-04 1.616569e-04 1.990382e-04 -6.000000e+00 1.280396e-03 279.03 -2.00 20.00 -2.00 317.14 0.00e+00 2.752 0.000 302.00 328.00 3 4.3978e+00 2.6302e-03 3.1950e-02 -6.0000e+00 7.3570e-02 2.9226e-02 2.9643e-03 1.8198e-02 -6.0000e+00 7.9711e-02 -1.5813e-02 1.8851e-03 8.9639e-03 -6.0000e+00 4.7362e-02 6.0668e-03 9.6410e-04 2.5566e-03 -6.0000e+00 2.0228e-02 3.1238e-04 1.3859e-04 5.5783e-05 2.7470e-05 -6.0000e+00 1.4068e-03 2.0382e-02 4.2600e-05 12 9 9 12 33 1 99.86 25.24 0.21 0.02038 0.02142 20 3 1 8 0 2043.540 20.00 25.24 18.66 35.00 33.75 1.0 957.48 1244 -21530 -7197 922 29798 -2735 -5375 -22634 -3227 -22517 -21847 -9029 3987 -4415 595 2277 -6368 7275 -7273 3614 -965 3734 -1012 386 2427 5433 -3055 2631 4538 -2099 -2257 4363 1793 -3171 -6929 2257 31 -2621 2104 4038 -1951 7 -26 947 481 2716 682 32 -2209 1349 2493 1098 2087 177 965 342 1386 -1243 -641 2282 3048 2358 1774 1563 -614 -1495 1634 -1912 836 188 632 102 -507 1141 -641 -415 -613 -1111 -1815 -1188 -1467 -728 -2359 -2964 -1663 -290 -573 127 792 -172 504 69 -7 -1034 -578 73 -95 1253 867 1084 -171 -802 -2180 -191 -366 -528 -198 -388 -211 248 697 324 389 802 699 -342 -286 290 -101 709 -179 -101 476 298 1290 743 -354 80 295 -152 604 -241 -294 -426 -166 126 -183 363 290 -90 -138 -533 -780 83 -2004 -602 67 1455 -180 -388 -2167 -284 -2566 -2486 -947 421 -592 88 373 -1100 1155 -1403 650 -186 682 -200 80 521 1183 -733 565 894 -443 -517 1024 474 -924 -1984 576 9 -889 749 1673 -952 4 -13 498 254 1408 357 17 -1168 697 1355 604 1210 112 630 230 944 -870 -437 1493 2030 1573 1302 1246 -511 -1180 1175 -1397 622 159 551 95 -475 1016 -542 -338 -453 -784 -1336 -979 -1285 -707 -2370 -3147 -1860 -324 -677 154 970 -207 559 75 -7 -1008 -586 82 -112 1544 1161 1451 -221 -1019 -2597 -222 -460 -670 -262 -542 -295 368 1050 508 599 1228 991 -482 -394 410 -144 1075 -268 -158 724 438 1878 1038 -477 106 412 -219 919 -369 -463 -691 -270 216 -327 660 511 -164 -240 -900 -1340 SS 20260315T204924.9Z 9570.867649 486 1 54.37 2 68.01 69.24 33.65 43.30 0.00 1 0.00 1 0 17 1.566e-02 6.906e-03 1.688e-03 5.761e-04 3.239644e-01 2.936685e-04 4.073039e-03 -6.000000e+00 9.043840e-03 228.04 -2.00 3.69 -2.00 317.06 0.00e+00 6.223118e-04 3.917833e-05 1.501152e-04 -6.000000e+00 3.917665e-04 279.03 -2.00 20.00 -2.00 316.41 0.00e+00 2.648 0.000 302.00 328.00 3 2.5502e+00 7.7060e-04 3.0716e-02 -6.0000e+00 2.2514e-02 1.4051e-02 8.6269e-04 1.7446e-02 -6.0000e+00 2.4392e-02 -7.0980e-03 5.1664e-04 8.5860e-03 -6.0000e+00 1.4493e-02 1.5258e-03 2.5424e-04 2.4598e-03 -6.0000e+00 6.1908e-03 2.2343e-03 9.7584e-06 1.6379e-05 2.7562e-05 -6.0000e+00 4.3043e-04 2.0002e-02 6.9019e-05 11 8 0 10 0 0 99.75 25.24 0.32 0.02000 0.02008 197 20 1 8 0 275.980 20.01 25.24 18.94 35.25 33.75 1.0 958.78 -3164 -1275 -3856 -3844 -746 -5257 -4497 -5537 -2403 -5878 -6507 -4813 -2392 -1298 557 782 -354 1179 128 1534 672 1038 1164 925 766 1349 -88 -238 -813 -361 106 1752 1503 621 -3485 -1867 -2845 -1913 239 353 -730 356 -388 672 43 481 -35 -207 -1025 -205 719 778 1036 1085 907 767 1024 327 210 521 980 1455 1751 1976 683 -28 -58 -1027 4 620 548 574 199 393 41 -400 -853 -1544 -1310 -950 -1239 -1242 -1883 -2516 -1241 -729 -228 213 640 451 468 185 -265 -440 -78 -94 303 892 593 214 -63 -868 -1539 -558 -472 -773 -582 -530 -244 386 673 690 476 337 -59 -181 -44 81 216 487 147 338 527 413 627 490 9 387 392 164 270 -28 -225 -275 -32 -32 -146 356 210 -98 -254 -491 -859 -352 -154 -497 -468 -79 -564 -510 -707 -332 -897 -1003 -761 -422 -242 118 186 -91 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