File name: Pandora177s1_WestportCT_20240407_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T053644.8Z Data description: Level 2 spectral fitting results file Data file version: fout2c7p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v7d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20240407_L1_smca1c7d20230401p1-8.txt Full location name: Westport - Sherwood Island State Park CTDEEP (USEPA AQS ID 09-001-9003) Short location name: WestportCT Country of location: USA Location latitude [deg]: 41.1183 Location longitude [deg]: -73.3367 Location altitude [m]: 4 Local noon date: 20240407 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are dark map for dark correction (replaced by immediate dark method), latency correction, matrix method stray light correction (replaced by simple method) Data caveats: None First and last pixel inside fitting window: 218 359 Nominal wavelengths inside fitting window [nm]: 305.1028 305.2437 305.3847 305.5256 305.6665 305.8074 305.9483 306.0891 306.2300 306.3709 306.5117 306.6525 306.7934 306.9342 307.0750 307.2157 307.3565 307.4973 307.6380 307.7788 307.9195 308.0602 308.2009 308.3416 308.4823 308.6230 308.7637 308.9043 309.0450 309.1856 309.3262 309.4668 309.6074 309.7480 309.8886 310.0291 310.1697 310.3102 310.4508 310.5913 310.7318 310.8723 311.0128 311.1533 311.2937 311.4342 311.5746 311.7151 311.8555 311.9959 312.1363 312.2767 312.4170 312.5574 312.6978 312.8381 312.9784 313.1188 313.2591 313.3994 313.5396 313.6799 313.8202 313.9604 314.1007 314.2409 314.3811 314.5213 314.6615 314.8017 314.9419 315.0821 315.2222 315.3623 315.5025 315.6426 315.7827 315.9228 316.0629 316.2030 316.3430 316.4831 316.6231 316.7631 316.9031 317.0432 317.1831 317.3231 317.4631 317.6031 317.7430 317.8829 318.0229 318.1628 318.3027 318.4426 318.5825 318.7223 318.8622 319.0020 319.1419 319.2817 319.4215 319.5613 319.7011 319.8409 319.9807 320.1204 320.2602 320.3999 320.5396 320.6793 320.8190 320.9587 321.0984 321.2381 321.3777 321.5174 321.6570 321.7966 321.9362 322.0758 322.2154 322.3550 322.4946 322.6341 322.7736 322.9132 323.0527 323.1922 323.3317 323.4712 323.6107 323.7501 323.8896 324.0290 324.1684 324.3079 324.4473 324.5867 324.7260 324.8654 --------------------------------------------------------------------------------------- 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 100-241: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 242-383: 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 20240407T113005.8Z 8863.479234 66 1 19.47 2 78.80 90.30 73.44 107.84 0.00 1 0.00 1 0 25 6.924e-01 2.111e-02 3.738e-01 9.045e-03 9.001075e-01 5.411668e-03 1.364817e-02 -6.000000e+00 4.204018e-01 228.01 -2.00 3.51 -2.00 321.95 0.00e+00 1.162653e-02 3.088920e-03 1.907929e-02 -6.000000e+00 1.862943e-02 279.47 -2.00 20.00 -2.00 321.52 0.00e+00 4.969 0.002 302.00 328.00 3 2.3740e+00 2.0849e-02 1.1404e-01 -6.0000e+00 1.0474e+00 4.4643e-01 3.1736e-02 1.2288e-01 -6.0000e+00 1.1361e+00 -7.3463e-01 3.3549e-02 6.6520e-02 -6.0000e+00 6.7408e-01 3.0593e-01 1.5077e-02 2.0041e-02 -6.0000e+00 2.8481e-01 1.2474e-04 9.5242e-04 2.5776e-04 5.7438e-04 -6.0000e+00 2.0740e-02 5.3529e-03 0.0000e+00 12 9 9 12 1 1 82.29 23.10 0.42 0.00535 0.01251 18 11 1 5 0 1024.250 26.51 20.03 23.10 7.51 23.1 916.36 -213168 -189642 -293567 900000 -99849 900000 -60686 -245661 -258579 -230225 -181576 -189043 900000 -102259 900000 900000 900000 -17375 -87522 4235 28750 256990 900000 67933 -87197 155910 -122439 9385 -121359 -54699 38960 23321 27003 17764 4227 8293 -9757 33166 22216 13550 -4335 3639 2018 65738 3138 35359 8488 5539 44390 10138 77332 13474 51739 16827 49281 4220 20495 2300 17255 10898 -6633 23262 11238 26797 13094 14506 3869 13495 17158 5889 20745 10717 11805 -103 10578 -7400 -8766 -9661 -6550 2109 -1358 4396 53 30 678 1188 1752 -535 2207 -2598 1020 -900 -1589 -2869 -2863 46 -106 102 -1648 -970 -3909 -2858 -3342 -1862 -4820 -1526 -2803 -1876 2639 1921 799 -299 255 -2335 -1928 -785 -422 1905 1209 1779 1676 3738 2398 2009 313 -1004 -1835 335 132 120 -348 -1467 -235 365 -140 -362 1022 974 588 338 -964 -2395 -2230 -1893 -7918 900000 -879 900000 -535 -3895 -4859 -3380 -1812 -2553 900000 -1081 900000 900000 900000 -153 -1645 37 253 2263 900000 598 -1741 1373 -3451 83 -3705 -1028 366 315 396 292 77 157 -229 647 573 435 -171 151 89 1572 144 1223 406 293 1731 619 2724 1009 2897 1429 3162 435 1792 234 1465 987 -768 2283 1442 3304 1952 2154 657 2267 3163 1363 4411 2535 2629 -24 1950 -1499 -1798 -2218 -1743 624 -489 1695 23 14 332 609 928 -292 1144 -1345 480 -417 -760 -1550 -1827 34 -86 94 -1634 -934 -3521 -2267 -2685 -1508 -4267 -1294 -2578 -1889 2907 2444 1140 -456 389 -3559 -2830 -1130 -623 2888 1917 2802 2534 5244 3279 2681 412 -1299 -2446 489 224 233 -702 -3213 -546 903 -369 -988 2778 2638 1554 843 -2239 -5302 SS 20240407T113504.5Z 8863.482691 69 1 48.61 2 77.86 91.12 72.55 108.70 0.00 1 0.00 1 0 25 7.024e-01 1.583e-02 3.501e-01 5.155e-03 8.487340e-01 3.003975e-03 1.233191e-02 -6.000000e+00 4.190885e-01 228.01 -2.00 3.51 -2.00 321.90 0.00e+00 1.130481e-02 1.692843e-03 1.457670e-02 -6.000000e+00 1.818240e-02 279.47 -2.00 20.00 -2.00 321.46 0.00e+00 4.614 0.002 302.00 328.00 3 2.1695e+00 1.1317e-02 9.1507e-02 -6.0000e+00 1.0427e+00 2.3832e-01 1.7451e-02 8.9464e-02 -6.0000e+00 1.1279e+00 -3.9130e-01 1.9169e-02 5.0784e-02 -6.0000e+00 6.7029e-01 1.5593e-01 8.6614e-03 1.7641e-02 -6.0000e+00 2.8559e-01 2.2824e-04 8.3973e-04 1.4684e-04 4.7627e-04 -6.0000e+00 2.0668e-02 5.4966e-03 0.0000e+00 12 8 8 10 0 0 99.56 23.11 0.32 0.00550 0.01181 84 19 1 5 0 578.640 26.51 19.97 23.11 7.66 23.2 917.60 -191364 -316728 -257391 -151523 -315518 -229447 -154289 -113700 -118809 37419 -239978 -194483 174868 -166952 -23189 4840 -15057 -96457 79310 -105967 -142902 -13062 -55058 51833 10582 -56631 -79493 -45483 -72559 -41433 -19058 -19566 40512 -10040 21229 8225 -29317 -11961 -17380 14467 -11039 8184 11670 2157 11270 16667 17719 -6299 12554 6418 14283 15114 25693 16776 13440 11532 3402 7139 3664 7820 7309 16458 8502 18491 4999 6725 10212 3560 6048 7180 9763 5193 6430 -1013 426 -6053 -6649 -3635 -1578 2175 -1275 1104 -1698 428 787 1000 1347 615 1098 246 -1004 -5303 -4288 -3781 -1668 -148 237 2046 512 -1153 -2320 -2774 -1513 -1006 -2531 -2742 -2213 -1465 1153 1489 1079 249 -298 -1092 -2039 -842 -119 761 1386 1338 1345 2248 2787 1066 -12 -1062 -324 300 131 -77 -825 -1160 -564 -39 139 -90 732 1142 772 183 -1090 -1399 -962 -5671 -2668 -762 -5253 -1586 -775 -571 -597 188 -2714 -1772 879 -2203 -117 24 -86 -1303 399 -1882 -3457 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-6.0000e+00 8.8313e-01 1.1733e-01 1.4682e-02 7.3913e-02 -6.0000e+00 9.5616e-01 -2.2585e-01 1.6130e-02 4.1950e-02 -6.0000e+00 5.6608e-01 8.7592e-02 7.4506e-03 1.3435e-02 -6.0000e+00 2.4190e-01 3.3409e-04 9.1825e-04 1.3714e-04 3.1153e-04 -6.0000e+00 1.7653e-02 4.4843e-03 0.0000e+00 12 9 9 12 1 1 99.75 23.11 0.49 0.00448 0.01138 27 20 1 5 0 571.590 26.51 20.03 23.11 7.82 23.2 918.64 -198967 -192994 900000 -260523 900000 -301794 -155823 -240894 900000 -83860 -122895 -153989 -181251 900000 -108910 37360 -83281 -36838 -63959 -29193 -27318 -55314 9603 -65951 -52454 -51782 -59792 -82760 -55228 -31243 -21991 3551 -37140 -7113 -28275 -9166 -28431 11616 -27284 -9891 4096 13494 2351 -7708 23800 -4259 11585 -3827 3777 1542 7004 8056 5147 10958 4120 7502 878 5363 -394 3302 12808 4258 13136 2850 8172 -4151 6672 1411 5262 6732 2248 5306 -1400 993 -6203 -2046 -5310 -4184 -3342 -1779 -556 -948 -1458 -2162 1813 1486 2959 1620 2011 1961 -915 -749 -5216 -1075 -2647 37 627 1345 78 -721 -1964 -3211 -182 -998 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