File name: Pandora177s1_WestportCT_20231216_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T160910.7Z Data description: Level 2 spectral fitting results file Data file version: fout2c5p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 177 Spectrometer number: 1 Processing software version used: BlickP v1.8.59 Instrument operation file used: Pandora177_OF_v3d20201002.txt Instrument calibration file used: Pandora177s1_CF_v5d20230401.txt Level 1 file used: Pandora177s1_WestportCT_20231216_L1_smca1c5d20230401p1-8.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: 20231216 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]: 305.0996 305.2405 305.3814 305.5223 305.6632 305.8041 305.9450 306.0858 306.2267 306.3675 306.5084 306.6492 306.7900 306.9308 307.0716 307.2123 307.3531 307.4939 307.6346 307.7753 307.9161 308.0568 308.1975 308.3382 308.4788 308.6195 308.7602 308.9008 309.0414 309.1821 309.3227 309.4633 309.6039 309.7444 309.8850 310.0256 310.1661 310.3067 310.4472 310.5877 310.7282 310.8687 311.0092 311.1496 311.2901 311.4305 311.5710 311.7114 311.8518 311.9922 312.1326 312.2730 312.4134 312.5537 312.6941 312.8344 312.9747 313.1151 313.2554 313.3957 313.5359 313.6762 313.8165 313.9567 314.0970 314.2372 314.3774 314.5176 314.6578 314.7980 314.9381 315.0783 315.2184 315.3586 315.4987 315.6388 315.7789 315.9190 316.0591 316.1992 316.3392 316.4793 316.6193 316.7593 316.8993 317.0393 317.1793 317.3193 317.4593 317.5992 317.7392 317.8791 318.0190 318.1589 318.2988 318.4387 318.5786 318.7185 318.8583 318.9982 319.1380 319.2778 319.4176 319.5574 319.6972 319.8370 319.9768 320.1165 320.2562 320.3960 320.5357 320.6754 320.8151 320.9548 321.0945 321.2341 321.3738 321.5134 321.6530 321.7926 321.9322 322.0718 322.2114 322.3510 322.4905 322.6301 322.7696 322.9091 323.0487 323.1882 323.3276 323.4671 323.6066 323.7460 323.8855 324.0249 324.1643 324.3038 324.4431 324.5825 324.7219 324.8613 --------------------------------------------------------------------------------------- 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 20231216T133039.0Z 8750.562951 78 1 31.36 2 79.14 134.63 113.43 99.94 0.00 1 0.00 1 0 25 3.994e-01 1.536e-02 2.499e-01 7.844e-03 5.925357e-01 4.381018e-03 8.267949e-03 -6.000000e+00 2.342962e-01 222.77 -2.00 3.51 -2.00 321.26 0.00e+00 1.066403e-02 2.033265e-03 6.522527e-03 -6.000000e+00 1.100948e-02 276.98 -2.00 20.00 -2.00 320.77 0.00e+00 5.112 0.002 302.00 328.00 3 2.6237e+00 1.4481e-02 6.3837e-02 -6.0000e+00 5.7628e-01 1.3171e-01 1.9552e-02 4.2253e-02 -6.0000e+00 6.2605e-01 -1.8984e-01 2.0025e-02 3.2035e-02 -6.0000e+00 3.7335e-01 7.2614e-02 9.6748e-03 1.5447e-02 -6.0000e+00 1.6139e-01 1.2611e-04 -2.0933e-04 2.4823e-04 2.5814e-04 -6.0000e+00 1.1953e-02 2.6317e-03 0.0000e+00 12 9 9 12 1 1 90.70 23.12 0.37 0.00263 0.00106 24 9 1 5 0 1254.140 26.51 19.98 23.12 6.02 21.9 894.82 -133564 -94066 -115681 900000 -167981 178289 -150359 -79381 -66133 -138711 900000 -151162 900000 -68116 900000 4336 -13399 6236 -36548 50912 -37704 -10180 -36667 23567 -65278 19627 -30209 -21668 -57252 -1508 47846 -16546 65596 -22612 2164 -45556 16610 3750 -3877 1418 -8059 10449 12621 10665 5500 -4391 9098 4953 13849 537 16617 -1958 13578 4025 15453 114 -130 101 806 8626 -2392 12263 6368 6353 663 5416 202 781 7751 -1465 2554 1437 4976 465 2358 -6296 -5195 -3130 -3991 -37 -900 -1969 -4482 -1217 -574 1323 2937 -1515 3322 902 609 -4006 -4037 -3116 -2605 -332 296 1642 593 -315 -2304 -1877 -1508 420 -1795 -755 -1791 -1544 2862 952 1975 -331 -56 -1800 763 -27 -428 440 577 1308 915 1260 960 1045 288 -1045 -470 748 -98 -1696 -467 -1633 0 110 -276 157 327 1873 359 170 -609 -1207 -1604 -873 -1389 900000 -3026 1363 -2298 -650 -505 -2272 900000 -3548 900000 -1190 900000 54 -227 95 -918 599 -1009 -221 -981 388 -2530 358 -906 -599 -2356 -40 928 -730 1427 -1223 89 -3053 664 203 -269 107 -734 848 1054 941 527 -480 899 530 1425 68 1973 -310 1996 691 2462 22 -25 19 149 1496 -495 2459 1531 1673 190 1449 56 227 2351 -548 987 574 1866 171 775 -2058 -1613 -999 -1469 -15 -437 -1080 -2725 -761 -379 912 2089 -1146 2359 628 398 -2572 -2537 -2057 -1937 -279 284 1736 670 -352 -2424 -1783 -1365 385 -1794 -793 -2012 -1864 3653 1374 3047 -539 -90 -2794 1096 -39 -621 668 921 2127 1475 1952 1439 1517 406 -1437 -640 1078 -160 -3130 -916 -3412 0 252 -677 370 787 4465 925 422 -1433 -2724 SS 20231216T133604.3Z 8750.566716 81 1 26.18 2 78.42 135.66 112.46 100.71 0.00 1 0.00 1 0 25 2.587e-01 1.198e-02 1.636e-01 3.974e-03 5.593797e-01 2.177560e-03 7.743206e-03 -6.000000e+00 1.514390e-01 222.77 -2.00 3.51 -2.00 320.94 0.00e+00 5.674660e-03 9.395220e-04 6.358625e-03 -6.000000e+00 6.697625e-03 276.98 -2.00 20.00 -2.00 320.44 0.00e+00 4.820 0.002 302.00 328.00 3 1.9103e+00 6.9261e-03 6.1611e-02 -6.0000e+00 3.7264e-01 1.4797e-02 9.1348e-03 4.4190e-02 -6.0000e+00 4.0458e-01 -4.6684e-02 9.2849e-03 2.6727e-02 -6.0000e+00 2.4126e-01 1.2897e-02 4.5663e-03 9.6594e-03 -6.0000e+00 1.0439e-01 3.6512e-04 1.3839e-04 1.2494e-04 1.7323e-04 -6.0000e+00 7.5969e-03 2.5192e-03 0.0000e+00 12 9 9 12 1 1 94.09 23.12 0.35 0.00252 0.00356 47 20 1 5 0 545.370 26.51 20.02 23.12 6.41 22.1 897.89 -131188 900000 -83846 -87417 -84403 -63907 -148440 -78001 -14807 -28479 -51383 -35524 -15792 -62190 1608 -36770 -2872 -30978 -12213 -9041 262 13218 -37495 -7444 -36182 -3299 -27241 -27839 -33846 -7304 3530 -18308 -3921 -6324 -9772 -8422 -12440 -1646 -6109 2020 1056 1140 415 2686 1828 1849 2261 4965 1778 2826 196 1452 4808 941 1953 4084 -437 -2186 -432 1219 2322 3351 3600 4395 2357 -748 1384 102 4087 3431 2524 1751 419 311 -368 -3850 -4794 -6318 -2019 -1418 -2759 -1251 -1844 -227 439 1169 1790 2013 2237 1069 -586 -2431 -3641 -2874 -1932 -625 1744 1889 504 -435 -2271 -1939 -283 -178 -1739 -2049 -844 -354 802 1887 1484 24 18 -678 -978 -573 220 797 1478 580 664 1284 2027 851 446 -1002 -1350 343 -395 -687 -795 -1415 -781 -284 17 19 690 964 730 336 -557 -1060 -1432 900000 -679 -708 -624 -383 -2248 -659 -80 -188 -416 -317 -147 -1073 20 -784 -49 -768 -270 -203 5 246 -1206 -190 -1318 -89 -939 -960 -1272 -232 119 -908 -188 -321 -504 -437 -757 -108 -507 178 104 121 46 302 213 221 276 610 236 400 31 255 889 193 415 880 -100 -504 -96 270 542 863 1040 1372 769 -245 437 34 1484 1412 1129 809 192 134 -146 -1439 -1731 -2416 -839 -687 -1560 -778 -1246 -161 329 925 1477 1686 1840 851 -444 -1756 -2598 -2149 -1611 -592 1840 2012 574 -490 -2638 -2044 -282 -183 -1947 -2439 -1051 -428 1054 2709 2299 38 29 -1030 -1412 -803 313 1185 2305 936 1060 1970 2981 1225 621 -1497 -2010 488 -632 -1220 -1516 -2849 -1646 -633 40 48 1719 2412 1812 805 -1272 -2324 SS 20231216T134050.7Z 8750.570031 84 1 48.82 2 77.79 136.58 111.61 101.39 0.00 1 0.00 1 0 25 1.927e-01 1.100e-02 7.364e-02 1.505e-03 5.357241e-01 8.116217e-04 7.002769e-03 -6.000000e+00 1.128286e-01 222.77 -2.00 3.51 -2.00 320.79 0.00e+00 5.637520e-03 3.356208e-04 4.653630e-03 -6.000000e+00 4.936663e-03 276.98 -2.00 20.00 -2.00 320.29 0.00e+00 4.592 0.002 302.00 328.00 3 7.3353e-01 2.5105e-03 5.5916e-02 -6.0000e+00 2.7762e-01 1.7892e-02 3.2806e-03 3.5467e-02 -6.0000e+00 3.0143e-01 -3.3291e-02 3.3106e-03 2.3239e-02 -6.0000e+00 1.7960e-01 3.2437e-03 1.6448e-03 9.5279e-03 -6.0000e+00 7.7288e-02 1.4968e-03 2.2775e-04 4.7139e-05 1.4083e-04 -6.0000e+00 5.6599e-03 2.4270e-03 0.0000e+00 12 8 8 10 0 0 83.44 23.13 0.35 0.00243 0.00414 346 80 1 5 0 141.090 26.51 19.98 23.13 7.04 22.3 903.08 2781 -64130 9159 -65559 -4093 -90506 -86383 -63238 -86473 -37753 -80294 -18817 -45594 -5631 -28109 -11338 -20232 -14743 -1717 -13448 3991 -11298 10798 -11838 -7685 -19568 -16056 -13997 -13845 -7887 -7807 6113 -4301 -5369 -10964 -12572 -9269 -6789 -1497 -3492 736 -943 2952 -1006 -135 46 -770 221 -967 2873 1759 3801 3710 3045 108 852 -796 -1538 3 -384 3003 3556 5039 3300 832 -984 -398 730 2391 3429 1969 2881 819 697 -1780 -3402 -3507 -4485 -1528 -2313 -1342 -2069 -2708 -1767 -275 655 1722 2095 2117 1671 263 -1309 -2564 -1770 -1196 -504 937 1398 961 -318 -1331 -1984 -668 -463 -1710 -1727 -1172 -146 1197 1592 896 335 -178 -829 -937 -654 405 708 1273 524 1071 1060 1646 610 224 -1335 -981 593 -294 -662 -1357 -1600 -561 -156 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