File name: Pandora252s1_BoulderCO-NCAR_20250922_L2Fit_fout2c3d20230118p1-8.txt File generation date: 20250923T065904.0Z Data description: Level 2 spectral fitting results file Data file version: fout2c3p1-8 Local principal investigator: Ivan Ortega Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 252 Spectrometer number: 1 Processing software version used: BlickP v1.8.75 Instrument operation file used: Pandora252_OF_v3d20221123.txt Instrument calibration file used: Pandora252s1_CF_v3d20230118.txt Level 1 file used: Pandora252s1_BoulderCO-NCAR_20250922_L1_smca1c3d20230118p1-8.txt Full location name: National Center for Atmospheric Research Short location name: BoulderCO-NCAR Country of location: United States Location latitude [deg]: 40.0375 Location longitude [deg]: -105.2420 Location altitude [m]: 1616 Local noon date: 20250922 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: Updated OoB with correct parameters based on session 2 First and last pixel inside fitting window: 192 334 Nominal wavelengths inside fitting window [nm]: 305.0965 305.2374 305.3783 305.5193 305.6602 305.8010 305.9419 306.0828 306.2237 306.3645 306.5053 306.6462 306.7870 306.9278 307.0686 307.2094 307.3501 307.4909 307.6316 307.7724 307.9131 308.0538 308.1945 308.3352 308.4759 308.6166 308.7572 308.8979 309.0385 309.1792 309.3198 309.4604 309.6010 309.7416 309.8821 310.0227 310.1633 310.3038 310.4443 310.5848 310.7253 310.8658 311.0063 311.1468 311.2873 311.4277 311.5682 311.7086 311.8490 311.9894 312.1298 312.2702 312.4106 312.5509 312.6913 312.8316 312.9719 313.1123 313.2526 313.3929 313.5332 313.6734 313.8137 313.9539 314.0942 314.2344 314.3746 314.5148 314.6550 314.7952 314.9354 315.0755 315.2157 315.3558 315.4960 315.6361 315.7762 315.9163 316.0564 316.1964 316.3365 316.4765 316.6166 316.7566 316.8966 317.0366 317.1766 317.3166 317.4566 317.5965 317.7365 317.8764 318.0164 318.1563 318.2962 318.4361 318.5759 318.7158 318.8557 318.9955 319.1353 319.2752 319.4150 319.5548 319.6946 319.8344 319.9741 320.1139 320.2536 320.3934 320.5331 320.6728 320.8125 320.9522 321.0918 321.2315 321.3712 321.5108 321.6504 321.7901 321.9297 322.0693 322.2088 322.3484 322.4880 322.6275 322.7671 322.9066 323.0461 323.1856 323.3251 323.4646 323.6041 323.7435 323.8830 324.0224 324.1618 324.3012 324.4406 324.5800 324.7194 324.8588 324.9981 --------------------------------------------------------------------------------------- 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: Temperature at electronics board [°C], 999=no temperature signal Column 95: Spectrometer control temperature [°C], 999=no temperature signal Column 96: Auxiliary spectrometer temperature [°C], 999=no temperature signal Column 97: Temperature in head sensor [°C], 999=no temperature signal Column 98: Humidity in head sensor [%], -9=no humidity signal Column 99: Pressure in head sensor [hPa], -9=no pressure signal Columns 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20250922T133438.4Z 9396.565722 55 1 4.97 2 82.11 96.58 91.52 95.86 0.00 1 0.00 1 0 17 4.457e-01 2.930e-02 3.825e-01 2.280e-02 7.049036e-01 1.240599e-02 7.724227e-03 -6.000000e+00 2.631289e-01 227.54 -2.00 3.45 -2.00 321.09 0.00e+00 8.845204e-03 5.482299e-03 5.436960e-04 -6.000000e+00 1.175896e-02 278.88 -2.00 20.00 -2.00 320.55 0.00e+00 6.817 0.005 302.00 328.00 3 2.8802e+00 4.0091e-02 6.7278e-02 -6.0000e+00 6.5517e-01 4.6968e-01 5.0327e-02 3.8801e-02 -6.0000e+00 7.1442e-01 -7.7632e-01 4.2732e-02 1.9236e-02 -6.0000e+00 4.2140e-01 3.6055e-01 2.0739e-02 1.1351e-02 -6.0000e+00 1.7481e-01 5.1070e-05 -6.0034e-04 6.5261e-04 1.3351e-04 -6.0000e+00 1.3286e-02 -1.2561e-02 1.2158e-05 12 9 9 12 1 1 999.00 26.78 0.31 -0.01256 -0.01707 1 2 1 5 0 2484.680 35.50 20.00 26.78 24.30 10.6 984.28 -23213 -112504 -56578 -119549 -151201 900000 -144500 -162484 900000 -92563 -97492 -60440 -27877 88263 -85482 23074 -10687 85152 -29615 14248 213585 15429 -67536 900000 75182 63689 -27895 -74939 -74169 17543 66152 900000 85468 88024 -8564 30515 900000 15809 -11626 29896 65538 60007 3242 28152 22363 24117 38025 23179 -2521 34774 20496 22405 12433 13858 23934 12922 13291 7743 28981 -1663 10394 21945 10717 15833 28550 2832 10006 149 7408 4533 14593 6828 -527 -7162 -5529 1360 -1882 -5577 6230 7931 -2721 -1120 -2990 60 1560 -5098 -23 -4279 -3034 1123 4126 -1605 -6209 -2142 -1282 -3019 -1743 -1355 -4658 -1398 -1340 687 -834 683 1137 585 664 -1971 -92 -3800 -1962 -2427 2972 -698 -969 2460 456 -283 -199 -850 985 979 2733 1392 2960 3062 1215 2060 -112 3426 -263 -130 289 1285 897 -93 195 -640 -333 -399 -1413 -266 -2705 -516 -4317 -1257 -4587 -7023 900000 -5836 -8203 900000 -2430 -2756 -1343 -619 1961 -4834 513 -367 1892 -1376 475 4745 480 -4801 900000 1670 1415 -1363 -5660 -5602 585 1617 900000 2278 2347 -571 1356 900000 1018 -1162 2258 3785 3866 382 2627 2236 2411 3379 2472 -364 3708 2777 3285 2182 2555 4147 2555 2628 1582 4635 -358 2078 4339 2690 4185 6913 874 2867 49 2534 1639 5673 2675 -216 -2922 -2211 459 -627 -2019 2297 3418 -1385 -636 -1884 39 1065 -3943 -18 -3508 -2433 828 2766 -1076 -4288 -1510 -1020 -2621 -1739 -1530 -5381 -1680 -1498 680 -784 644 1136 624 753 -2488 -116 -5649 -3154 -3829 4789 -1129 -1500 3590 692 -455 -313 -1377 1540 1586 4195 2091 4218 4212 1688 3041 -177 5899 -514 -252 589 2764 2056 -209 447 -1490 -760 -925 -3095 -542 -5553 SS 20250922T140119.0Z 9396.584248 66 1 55.26 2 77.07 101.03 86.67 100.14 0.00 1 0.00 1 0 17 2.520e-01 1.516e-02 1.215e-01 5.905e-03 5.010028e-01 3.094602e-03 5.646111e-03 -6.000000e+00 1.474937e-01 227.54 -2.00 3.45 -2.00 320.01 0.00e+00 5.213273e-04 9.763084e-04 9.025137e-04 -6.000000e+00 6.531122e-03 278.87 -2.00 20.00 -2.00 319.39 0.00e+00 4.357 0.001 302.00 328.00 3 5.2435e+00 9.0067e-03 4.4288e-02 -6.0000e+00 3.6724e-01 1.1662e-01 1.0783e-02 2.6267e-02 -6.0000e+00 3.9992e-01 -1.3175e-01 8.8285e-03 1.2644e-02 -6.0000e+00 2.3698e-01 5.1482e-02 4.5077e-03 3.6339e-03 -6.0000e+00 9.8378e-02 4.2080e-05 -1.1044e-03 1.7986e-04 4.4694e-05 -6.0000e+00 7.3916e-03 -8.3727e-03 -1.3285e-04 12 9 8 11 8 0 99.95 26.78 0.32 -0.00837 -0.01667 20 2 1 5 0 2762.870 35.50 20.00 26.78 24.81 10.5 987.86 -105785 -94816 -103585 -34001 -82644 -36983 -79250 135767 900000 -50134 -70861 67267 -13447 -25467 4190 -17781 -9086 12770 -17601 5519 32227 34431 -24361 -4573 -26266 1937 -19685 -4576 23664 -891 24745 -1191 -2399 -18202 17736 977 5339 1666 -5808 13642 -11059 -7026 8450 -855 3851 1263 5004 7467 -2703 6743 7684 1251 1265 9056 3171 3201 3996 4793 5057 -1049 2352 -729 7994 3779 1498 -3233 2215 14 5069 -1634 -555 307 -2355 2437 4635 -5464 -729 385 -1233 -2633 -1637 -1284 -3403 -2432 -1240 -999 -167 681 995 -243 1972 -1455 1281 -474 -1170 628 -680 544 262 -2426 -234 -440 2335 1441 -1848 -622 -1585 1500 -678 -276 -638 -297 -546 -673 489 -159 961 175 -1516 777 1010 424 634 71 239 1026 1565 1231 532 -70 -171 -311 1580 306 218 289 573 -27 -538 20 -906 156 -1890 -3544 -3176 -3904 -605 -2206 -681 -2419 782 900000 -1530 -2775 736 -395 -1026 150 -901 -460 559 -1105 286 1299 1368 -1824 -303 -2314 134 -1678 -321 1226 -62 1510 -108 -243 -2222 1460 96 560 216 -980 2207 -2528 -1634 1742 -196 847 287 1101 1621 -666 1596 1964 374 409 2889 1123 1172 1477 1742 1791 -393 888 -311 3462 1843 757 -1647 1041 7 2627 -928 -338 191 -1481 1379 2584 -3045 -363 192 -690 -1727 -1105 -964 -2814 -2114 -1138 -972 -169 696 1003 -237 1751 -1243 1021 -396 -1083 649 -807 650 331 -3091 -271 -509 2504 1606 -2275 -732 -1989 1942 -974 -431 -1073 -471 -921 -1078 726 -229 1387 267 -2487 1290 1667 685 986 106 344 1402 2082 1721 823 -119 -289 -550 2860 594 447 619 1252 -56 -1191 43 -1837 298 -3662 SS 20250922T141708.4Z 9396.595236 72 1 54.45 2 74.12 103.74 83.82 102.72 0.00 1 0.00 1 0 17 4.551e-02 6.178e-03 8.350e-03 1.266e-03 4.198720e-01 6.499795e-04 4.824200e-03 -6.000000e+00 2.658649e-02 227.54 -2.00 3.45 -2.00 318.43 0.00e+00 1.216412e-03 1.294037e-04 1.440114e-04 -6.000000e+00 1.160569e-03 278.87 -2.00 20.00 -2.00 317.76 0.00e+00 3.593 0.001 302.00 328.00 3 3.4788e+00 1.7596e-03 3.6472e-02 -6.0000e+00 6.6045e-02 3.1109e-02 2.0022e-03 2.1195e-02 -6.0000e+00 7.1859e-02 -3.4532e-02 1.3429e-03 1.0405e-02 -6.0000e+00 4.2738e-02 8.6144e-03 6.9471e-04 3.1059e-03 -6.0000e+00 1.7782e-02 5.0497e-04 -4.2007e-04 3.7657e-05 3.5558e-05 -6.0000e+00 1.3317e-03 -1.0134e-02 -4.2052e-05 10 0 0 10 0 0 99.86 26.78 0.37 -0.01013 -0.01329 79 8 1 5 0 689.140 35.25 20.00 26.78 25.06 10.5 989.45 -15790 -11378 -18442 -12749 -18750 -15315 -19377 -10073 -925 -15229 -16666 -2983 -12117 -7776 -1019 -1151 -1959 4195 -1690 -221 3943 1869 -719 176 -2757 -150 -3653 -2338 -267 429 -243 734 910 -3141 -1453 -2116 -858 -772 -165 367 -688 -420 967 96 332 1566 238 71 108 857 1433 1038 1615 1511 1160 1083 750 252 633 638 963 1799 1436 875 -352 71 23 427 1319 436 -401 63 224 -99 -600 -1029 -978 -500 -835 -1048 -1036 -1574 -2002 -1229 -931 -746 -342 96 112 288 500 297 536 1021 365 367 697 159 -309 -548 -469 -442 650 240 -1121 -1032 -602 -325 303 243 -61 58 -6 -5 344 761 621 428 -106 -249 -240 236 118 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