File name: Pandora177s1_WestportCT_20240316_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T173312.3Z 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_20240316_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: 20240316 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 20240316T121736.0Z 8841.512223 101 1 47.89 2 76.82 103.79 107.24 26.26 0.00 1 0.00 1 0 25 4.778e-01 2.505e-02 3.946e-01 1.739e-02 6.382670e-01 9.969441e-03 1.213409e-02 -6.000000e+00 2.860848e-01 226.29 -2.00 3.51 -2.00 321.43 0.00e+00 2.041289e-02 4.779573e-03 1.447582e-02 -6.000000e+00 1.406989e-02 277.13 -2.00 20.00 -2.00 320.96 0.00e+00 4.276 0.001 302.00 328.00 3 4.3678e+00 3.3775e-02 7.7565e-02 -6.0000e+00 7.1202e-01 2.5108e-01 4.5144e-02 7.2729e-02 -6.0000e+00 7.7362e-01 -3.2045e-01 4.5013e-02 5.3908e-02 -6.0000e+00 4.6013e-01 1.2619e-01 2.1594e-02 2.5374e-02 -6.0000e+00 1.9889e-01 4.1813e-05 7.2413e-04 5.5298e-04 5.2291e-04 -6.0000e+00 1.4565e-02 1.1082e-02 0.0000e+00 12 8 8 10 0 0 99.67 22.95 0.50 0.01108 0.01652 20 5 1 5 0 2394.000 26.32 19.98 22.95 10.04 23.2 931.82 900000 -121762 900000 900000 131062 -201736 -71211 -68569 -11505 900000 -187119 900000 -173104 40056 24536 900000 -38082 900000 21143 -100127 74315 -49358 219106 -61903 67900 -59147 -21278 900000 -13980 -30650 66869 -32746 -15463 149305 -12892 109543 -26853 4027 62398 -10765 40304 -35977 20687 20996 50546 9214 8084 14069 -24642 13438 31481 49957 8033 22495 6015 12839 3895 3212 2910 1774 18683 14346 3998 15021 10431 1932 9252 -878 4879 7149 55 17279 623 2830 1286 5361 -4702 -8027 -4276 -7188 -2686 -5281 66 -3606 4382 -281 -2198 1882 1746 2736 -3959 -356 -8145 -1787 -2388 1266 414 764 -541 -3583 563 -4460 -898 -560 -3494 -1810 -4205 3177 -731 4981 -661 2301 -713 -1868 -3618 730 880 1699 2134 1212 1497 2533 4901 265 2 -1200 -3863 432 -1913 495 -1914 570 -656 448 422 -883 1123 17 1003 -59 -755 -1068 900000 -2062 900000 900000 2219 -4934 -1206 -1161 -195 900000 -4659 900000 -6379 678 415 900000 -872 900000 358 -5186 1258 -1475 3710 -2035 1150 -1885 -466 900000 -320 -977 1132 -1598 -708 2528 -565 1855 -1498 205 2047 -820 2005 -3870 1423 1511 2835 819 761 1310 -3572 1436 3098 4493 1182 2999 967 1943 639 520 468 297 2867 2611 918 3386 2528 499 2203 -244 1435 2292 20 5376 220 907 380 1390 -1314 -2489 -1484 -3043 -1254 -2811 36 -2145 2551 -182 -1509 1257 1145 1694 -2447 -199 -4870 -1078 -1660 990 376 773 -584 -3875 533 -4011 -796 -511 -3490 -1881 -4752 3612 -901 6870 -975 3387 -1061 -2860 -5371 1020 1262 2549 3348 1952 2351 3777 6877 377 2 -1605 -5333 620 -3175 893 -3804 1165 -1431 1027 1024 -2246 2847 45 2508 -143 -1718 -2322 SS 20240316T122828.3Z 8841.519772 104 1 49.33 2 74.84 105.71 106.32 28.47 0.00 1 0.00 1 0 25 3.260e-01 1.280e-02 1.342e-01 4.566e-03 5.768143e-01 2.472055e-03 7.878399e-03 -6.000000e+00 1.932013e-01 226.29 -2.00 3.51 -2.00 320.80 0.00e+00 5.457737e-03 1.028995e-03 6.359530e-03 -6.000000e+00 8.357190e-03 277.13 -2.00 20.00 -2.00 320.30 0.00e+00 3.751 0.001 302.00 328.00 3 3.3623e+00 7.7386e-03 5.4359e-02 -6.0000e+00 4.7913e-01 5.7640e-02 1.0111e-02 4.4329e-02 -6.0000e+00 5.1916e-01 -8.3922e-02 1.0107e-02 2.6668e-02 -6.0000e+00 3.0852e-01 2.7361e-02 4.9825e-03 9.6337e-03 -6.0000e+00 1.3163e-01 2.1833e-04 8.4095e-04 1.3871e-04 1.7354e-04 -6.0000e+00 9.5874e-03 1.0796e-02 0.0000e+00 12 9 8 11 8 0 99.40 22.95 0.40 0.01080 0.01712 38 9 1 5 0 1298.060 26.32 19.98 22.95 10.37 23.2 934.07 -147076 -117648 -75346 -71495 -116802 -133170 -64675 -87163 -104058 -90870 -98195 -111546 -45173 -66361 -10271 4767 4562 -2231 -30416 -4694 -24429 -23364 3785 -20734 -21408 -7037 -15792 -28338 -19239 -20027 -4893 -5136 7562 1788 -13860 -11894 -12897 -11410 -4295 -1908 274 2430 6878 837 3703 8954 2673 -3766 6014 2094 4254 146 6062 7101 4877 4130 1715 -775 -2647 -1922 3347 3942 4360 5090 2063 2206 -204 702 1446 2504 3698 1758 1585 2297 -2636 -4197 -5261 -5199 -3317 -2725 -726 -836 -3364 -603 -17 1168 1549 1037 2113 370 -596 -2207 -3646 -2000 -1457 -172 1075 1228 695 -846 -2236 -1682 -1250 -253 -1384 -1543 -466 -715 982 1683 1523 514 -110 -906 -727 -258 -152 356 1220 680 1050 1544 1848 777 178 -1778 -1341 318 -79 -676 -923 -1598 -474 -25 -61 114 540 1177 636 263 -599 -1286 -2401 -1615 -699 -610 -1473 -1976 -528 -1003 -1544 -1247 -1567 -2400 -637 -1477 -160 74 80 -46 -880 -110 -707 -676 87 -654 -723 -211 -516 -1041 -664 -773 -192 -238 342 88 -776 -671 -833 -876 -368 -183 28 262 740 98 431 1105 360 -513 849 331 728 29 1222 1506 1105 973 418 -191 -653 -476 839 1096 1354 1698 721 747 -70 253 581 1115 1742 860 753 1013 -1111 -1638 -1995 -2073 -1479 -1414 -424 -542 -2412 -446 -13 960 1324 901 1779 301 -458 -1614 -2656 -1524 -1246 -166 1173 1480 808 -1057 -2596 -1769 -1264 -264 -1552 -1832 -579 -957 1422 2444 2371 826 -173 -1369 -1133 -392 -236 579 1895 1083 1788 2521 2901 1191 263 -2578 -1932 483 -136 -1175 -1718 -3138 -968 -54 -139 270 1296 2821 1508 599 -1297 -2679 SS 20240316T123758.9Z 8841.526376 107 1 48.74 2 73.12 107.42 105.47 30.37 0.00 1 0.00 1 0 25 1.591e-01 1.087e-02 5.737e-02 1.954e-03 5.279233e-01 1.049636e-03 6.646553e-03 -6.000000e+00 9.427567e-02 226.29 -2.00 3.51 -2.00 320.52 0.00e+00 4.641249e-03 3.962924e-04 3.887034e-03 -6.000000e+00 4.077736e-03 277.13 -2.00 20.00 -2.00 320.01 0.00e+00 3.391 0.001 302.00 328.00 3 2.4710e+00 3.1675e-03 4.5801e-02 -6.0000e+00 2.3380e-01 2.8368e-02 4.0045e-03 3.2776e-02 -6.0000e+00 2.5332e-01 -3.1342e-02 3.8368e-03 2.0592e-02 -6.0000e+00 1.5054e-01 4.2079e-03 1.9323e-03 8.2821e-03 -6.0000e+00 6.4234e-02 7.9169e-04 4.8994e-04 5.9738e-05 1.2419e-04 -6.0000e+00 4.6778e-03 1.0170e-02 0.0000e+00 12 9 8 11 8 0 98.56 22.95 0.33 0.01017 0.01385 111 26 1 5 0 439.070 26.32 19.97 22.95 10.56 23.2 935.61 -80456 -26257 -55293 -51190 -37717 -54591 -37724 -68252 -14878 -67257 -35735 -37519 -21029 -24130 -8331 1690 -13902 -5417 -2474 474 -10901 -1453 -11623 -9025 -13991 -16328 -9212 -22261 -9194 -6703 47 -3857 -2367 -7886 -10847 -7761 -7455 -3188 -1259 143 -1368 -365 76 1312 2171 144 856 -704 -217 1688 3103 1749 2734 1955 1665 1104 642 -709 -684 467 1770 3517 4588 2630 1087 -146 148 -984 3125 2422 2030 1686 801 937 -1626 -3048 -3826 -3652 -2106 -1720 -1756 -2577 -2226 -1423 -39 667 1767 1995 1905 1261 -319 -1442 -2455 -1202 -1105 -184 917 1496 591 -317 -1552 -2120 -616 -318 -1547 -1764 -1307 -698 1148 1418 1004 417 -111 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