File name: Pandora177s1_WestportCT_20230917_L2Fit_fout2c7d20230401p1-8.txt File generation date: 20241124T031447.6Z 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_20230917_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: 20230917 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 20230917T120857.4Z 8660.506219 79 1 4.70 2 73.37 101.93 99.79 92.93 0.00 1 0.00 1 0 17 1.074e-01 1.627e-02 1.195e-01 9.150e-03 4.046536e-01 4.869123e-03 5.317429e-03 -6.000000e+00 6.440982e-02 229.03 -2.00 3.51 -2.00 319.42 0.00e+00 4.731158e-03 1.334084e-03 2.717485e-03 -6.000000e+00 2.874516e-03 287.57 -2.00 20.00 -2.00 318.67 0.00e+00 3.438 0.001 302.00 328.00 3 3.5173e+00 1.3765e-02 4.1293e-02 -6.0000e+00 1.6019e-01 8.2371e-03 1.6107e-02 2.3986e-02 -6.0000e+00 1.7281e-01 -2.3216e-02 1.2043e-02 1.2781e-02 -6.0000e+00 1.0314e-01 3.6135e-03 6.3145e-03 4.2541e-03 -6.0000e+00 4.4265e-02 3.1718e-04 1.3868e-05 2.8349e-04 6.3622e-05 -6.0000e+00 3.1595e-03 -4.3406e-03 0.0000e+00 12 9 9 12 1 1 999.00 22.76 0.47 -0.00434 -0.00424 2 7 1 5 0 1565.410 26.11 20.00 22.76 15.71 21.6 951.32 -16593 55937 1597 -39407 -62673 -28303 25187 -27023 -8282 -12810 -32303 -8183 -28554 -9686 -14469 -16059 -9359 8148 7507 6613 -6273 -15448 4233 -5894 -15645 -1675 7255 -6068 4598 -1199 2021 -5042 -7557 -5964 -6353 -1627 -5945 12190 95 2939 -820 -19 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-1321 -1339 -3843 -2980 -1081 -1365 -2010 -524 -355 2547 1849 4175 1423 1102 -618 -1403 -1657 -34 1703 -152 74 2240 1162 3787 1596 389 -597 -2578 -426 -597 -343 -1242 -2051 -2805 -1043 -21 1335 1924 1834 3109 -1541 315 -3571 SS 20230917T121538.9Z 8660.510867 83 1 32.69 2 72.14 103.11 98.59 94.01 0.00 1 0.00 1 0 17 9.903e-02 1.199e-02 5.292e-02 4.290e-03 3.788896e-01 2.287559e-03 4.878188e-03 -6.000000e+00 5.941151e-02 229.03 -2.00 3.51 -2.00 319.60 0.00e+00 2.819793e-03 6.532754e-04 2.342957e-03 -6.000000e+00 2.651618e-03 287.57 -2.00 20.00 -2.00 318.84 0.00e+00 3.215 0.001 302.00 328.00 3 3.9234e+00 6.5625e-03 3.8771e-02 -6.0000e+00 1.4776e-01 -5.5921e-03 7.7398e-03 2.3090e-02 -6.0000e+00 1.5941e-01 2.3449e-03 5.8255e-03 1.1418e-02 -6.0000e+00 9.5135e-02 -1.0067e-02 3.0250e-03 3.1574e-03 -6.0000e+00 4.0828e-02 2.7209e-04 1.3157e-04 1.3595e-04 4.9518e-05 -6.0000e+00 2.9145e-03 -3.9376e-03 0.0000e+00 12 9 9 12 1 1 95.11 22.75 0.35 -0.00394 -0.00295 15 6 1 5 0 2042.890 26.11 20.00 22.75 16.22 21.7 954.93 -19195 -8103 -23914 -57983 -21423 -55000 42007 -24910 -12942 -22407 -3484 -10338 -13216 11892 -20742 -3454 -4068 5018 -9267 15592 7944 -446 6203 -5794 658 -9243 6425 -12751 -3641 -2123 -6597 3654 -2601 3266 -14047 -2956 -7359 3333 -5343 -1533 441 -1592 2254 -2623 3428 2205 5329 125 -479 138 2424 1432 -328 2427 -781 3529 -1330 609 -419 804 1445 3394 4640 2155 1937 -734 810 -326 1417 2128 -33 2859 161 1865 -1730 -928 -2533 -2384 -1091 -2544 -2364 -2852 -2147 -2331 1460 57 1609 2293 1820 1809 113 -994 -2394 -977 -173 -312 262 113 15 -970 -1419 -2959 -496 -1125 -1600 -2292 -1095 -973 670 1442 1087 1283 14 -490 -256 -77 299 271 1100 364 1354 465 1132 465 596 -231 -882 854 -133 -423 -763 -934 -364 383 51 -151 646 468 854 -411 -38 -1492 -482 -201 -707 -2287 -544 -1923 602 -789 -398 -790 -105 -368 -573 483 -1370 -215 -275 330 -742 1016 570 -35 471 -528 60 -953 559 -1299 -333 -199 -718 405 -333 400 -1985 -379 -1102 537 -1121 -354 109 -425 599 -744 927 608 1424 35 -137 41 759 492 -123 931 -321 1430 -573 255 -176 335 631 1589 2351 1187 1066 -393 408 -170 802 1339 -23 1978 113 1219 -1079 -520 -1346 -1271 -629 -1702 -1786 -2384 -1908 -2203 1419 56 1634 2356 1853 1888 112 -912 -2114 -870 -167 -339 296 140 19 -1243 -1690 -3534 -564 -1343 -1918 -2930 -1453 -1363 993 2285 1820 2161 24 -759 -370 -107 422 403 1731 601 2224 752 1759 700 859 -321 -1204 1192 -204 -706 -1346 -1704 -687 758 101 -310 1351 992 1796 -850 -74 -3063 SS 20230917T122106.1Z 8660.514654 86 1 48.49 2 71.14 104.09 97.61 94.89 0.00 1 0.00 1 0 25 4.666e-02 1.020e-02 3.777e-02 3.059e-03 3.623083e-01 1.629727e-03 4.410724e-03 -6.000000e+00 2.799348e-02 229.03 -2.00 3.51 -2.00 319.53 0.00e+00 2.867070e-03 4.546414e-04 1.588946e-03 -6.000000e+00 1.249447e-03 287.57 -2.00 20.00 -2.00 318.77 0.00e+00 3.056 0.000 302.00 328.00 3 3.7010e+00 4.6473e-03 3.6258e-02 -6.0000e+00 6.9620e-02 -1.9839e-02 5.4649e-03 2.0082e-02 -6.0000e+00 7.5110e-02 2.0509e-02 4.1036e-03 1.0561e-02 -6.0000e+00 4.4826e-02 -1.7915e-02 2.1354e-03 3.4470e-03 -6.0000e+00 1.9237e-02 4.0541e-04 1.7933e-04 9.7769e-05 4.2896e-05 -6.0000e+00 1.3733e-03 -3.6394e-03 0.0000e+00 12 8 8 10 0 0 98.51 22.74 0.40 -0.00364 -0.00229 36 8 1 5 0 1346.220 26.11 20.00 22.74 16.56 21.7 957.34 16212 -10556 -4624 -20606 1460 -7227 -24152 185 -4346 -16182 -22153 -7522 -11914 -1181 1099 4680 -172 -2487 -1273 -783 1484 -1903 -3569 -3873 -6623 -2141 -2853 -8258 -5592 -1627 995 55 1832 -2025 -9426 -2567 -3134 38 -1599 -1228 -1500 -161 1180 95 404 -2342 873 374 406 2375 662 -40 1475 1137 -263 1038 687 -659 -603 291 2185 2806 4040 2050 1039 -1749 220 -383 1911 1406 1064 2189 959 1217 -993 -1814 -1639 -2413 -1328 -1582 -2900 -2772 -2843 -1630 -205 363 1297 1893 1958 2086 524 -631 -1113 351 -304 -292 287 1006 347 -507 -1648 -2535 -893 -674 -1706 -2060 -1333 -734 1000 1001 772 410 65 -338 -31 -105 -36 350 876 501 763 540 1231 555 556 -346 -754 618 193 -423 -778 -1217 -223 225 190 -183 863 543 544 -66 -506 -1277 290 -272 -114 -566 30 -171 -679 5 -134 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