File name: Pandora177s1_WestportCT_20240229_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T171334.5Z 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_20240229_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: 20240229 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 20240229T123818.5Z 8825.526603 264 1 49.05 2 78.13 111.36 81.56 241.05 0.00 1 0.00 1 0 25 5.539e-01 1.153e-02 3.180e-01 4.607e-03 7.575708e-01 2.611157e-03 1.001504e-02 -6.000000e+00 3.272641e-01 225.52 -2.00 3.51 -2.00 321.62 0.00e+00 6.185322e-03 1.353880e-03 9.016889e-03 -6.000000e+00 1.413371e-02 276.04 -2.00 20.00 -2.00 321.18 0.00e+00 4.713 0.002 302.00 328.00 3 2.1749e+00 9.2102e-03 7.2625e-02 -6.0000e+00 8.1044e-01 5.9205e-02 1.4218e-02 6.3358e-02 -6.0000e+00 8.7875e-01 -1.1951e-01 1.6234e-02 4.1876e-02 -6.0000e+00 5.2221e-01 4.2802e-02 7.4980e-03 1.6516e-02 -6.0000e+00 2.2310e-01 2.4262e-04 8.7198e-04 1.3601e-04 3.2527e-04 -6.0000e+00 1.6288e-02 1.1451e-02 0.0000e+00 12 9 8 11 8 0 99.70 23.04 0.38 0.01145 0.01800 79 18 1 5 0 620.810 26.41 19.96 23.04 2.10 22.2 875.51 -31856 -16894 -103239 -208948 50407 -237052 -237467 -224587 -209431 -206543 -183995 -33741 -62736 -102549 -128823 22298 -11861 -53018 -57498 -39580 -37397 -55733 900000 -37236 32069 -66615 -73150 -56232 -67393 15279 -29455 -32145 -1127 11907 -16735 -9472 -5158 4894 -21880 -12450 10575 -7091 18044 2976 457 3611 8601 5919 -2712 5765 6314 10555 5753 8809 -3030 5791 2885 -1951 0 -2543 3566 3916 4849 3179 75 5352 1271 1334 1902 2776 4242 2500 1781 927 -2820 -3404 -4900 -4354 -1899 -3042 513 -1226 -664 -868 640 -12 2085 1903 1693 1584 -302 -1604 -4028 -1732 -1260 -514 971 1632 366 -867 -1321 -2095 -553 82 -1571 -1893 -2385 -590 1069 1769 955 739 -724 -1314 -1143 -891 776 620 1220 422 904 1498 2060 735 -381 -1301 -981 617 -58 -527 -1393 -1171 -348 -10 439 82 667 790 1046 -245 -472 -940 -143 -76 -464 -1194 226 -1742 -1939 -1834 -1625 -1687 -1352 -152 -282 -754 -1578 100 -63 -476 -587 -356 -336 -614 900000 -395 202 -1061 -1254 -909 -1302 151 -569 -780 -23 219 -406 -221 -132 138 -983 -593 446 -385 802 159 26 206 491 370 -200 432 533 962 607 973 -399 726 377 -264 0 -342 484 601 847 627 16 1074 271 307 496 809 1307 796 550 267 -764 -852 -1226 -1177 -588 -1138 216 -592 -346 -483 372 -8 1318 1217 1061 946 -173 -887 -2301 -1058 -887 -421 906 1695 406 -948 -1322 -1899 -471 71 -1480 -1894 -2550 -676 1356 2510 1491 1203 -1188 -2086 -1736 -1330 1168 981 2004 704 1452 2283 3007 1054 -534 -1776 -1352 919 -100 -1024 -2962 -2641 -828 -23 1069 206 1701 2012 2600 -585 -1157 -2195 SS 20240229T124334.4Z 8825.530259 267 1 30.61 2 77.21 112.31 82.42 241.95 0.00 1 0.00 1 0 25 5.328e-01 1.255e-02 2.407e-01 4.588e-03 7.079027e-01 2.566257e-03 9.479147e-03 -6.000000e+00 3.147832e-01 225.52 -2.00 3.51 -2.00 321.37 0.00e+00 1.040121e-02 1.246648e-03 7.628466e-03 -6.000000e+00 1.359629e-02 276.04 -2.00 20.00 -2.00 320.92 0.00e+00 4.397 0.002 302.00 328.00 3 2.4196e+00 8.6015e-03 6.3957e-02 -6.0000e+00 7.7955e-01 1.0143e-01 1.2295e-02 5.0515e-02 -6.0000e+00 8.4533e-01 -1.6261e-01 1.3479e-02 3.7332e-02 -6.0000e+00 5.0234e-01 6.2959e-02 6.3903e-03 1.7528e-02 -6.0000e+00 2.1443e-01 2.6131e-04 8.0982e-04 1.3509e-04 2.9906e-04 -6.0000e+00 1.5665e-02 1.1571e-02 0.0000e+00 12 9 9 12 9 1 99.80 23.04 0.46 0.01157 0.01766 39 15 1 5 0 765.140 26.41 20.03 23.04 2.13 22.2 875.15 -179056 -184503 -234387 -226827 -151086 -101049 -163520 -25623 -146402 -140761 -163274 -152972 -115484 101447 -78689 -34602 -20779 -63460 -53252 -32486 -11818 -67294 -48506 -21509 -7164 2075 -31846 -67995 -32274 27188 -40565 2626 -26999 9201 -24650 -9402 11355 1947 -2885 -4486 4927 2938 16055 5998 8947 11136 8014 8065 1706 6766 -618 8929 3548 4181 7214 9828 441 223 -4492 -1959 3070 7113 6677 5924 3893 3295 -310 1860 2492 2883 3420 2615 1935 -1521 -3916 -3574 -2162 -7164 -2353 -3576 -537 -615 -1714 -1116 603 445 2323 1812 1028 1357 -993 -2411 -2168 -1912 -1196 -398 1299 1449 1008 -485 -2037 -2301 -451 -580 -1280 -2313 -1693 -1291 1074 1672 957 715 -343 -868 -1301 -1040 455 524 1449 473 1161 1266 2305 1181 -87 -1124 -728 506 -110 10 -1183 -982 -493 -50 -153 -100 764 815 495 64 -355 -1187 -1311 -1651 -3622 -3136 -922 -452 -1197 -115 -1072 -1030 -1660 -1742 -1221 454 -992 -338 -203 -1058 -866 -449 -148 -1341 -911 -327 -99 27 -584 -1825 -650 353 -1288 66 -1027 251 -926 -311 345 78 -146 -265 293 192 970 416 624 792 617 657 159 657 -72 1063 487 610 1068 1460 72 36 -749 -323 519 1311 1413 1394 968 817 -80 506 763 987 1245 973 699 -527 -1258 -1049 -613 -2308 -843 -1544 -261 -335 -1022 -703 396 310 1655 1311 734 920 -646 -1508 -1353 -1293 -925 -356 1320 1644 1100 -523 -2236 -2282 -419 -557 -1317 -2544 -1966 -1623 1341 2325 1454 1127 -540 -1318 -1894 -1485 657 795 2278 759 1798 1874 3252 1794 -129 -1625 -1057 793 -179 18 -2364 -2073 -1100 -117 -384 -258 1994 2128 1270 157 -814 -2610 SS 20240229T124907.7Z 8825.534117 270 1 48.95 2 76.24 113.31 83.33 242.88 0.00 1 0.00 1 0 33 3.975e-01 1.189e-02 2.319e-01 3.783e-03 6.691769e-01 2.134246e-03 8.903678e-03 -6.000000e+00 2.349232e-01 225.52 -2.00 3.51 -2.00 321.36 0.00e+00 6.678558e-03 1.018044e-03 7.427836e-03 -6.000000e+00 1.063095e-02 276.04 -2.00 20.00 -2.00 320.90 0.00e+00 4.109 0.001 302.00 328.00 3 2.4493e+00 7.1644e-03 6.1805e-02 -6.0000e+00 5.8169e-01 4.3575e-02 1.0149e-02 5.2089e-02 -6.0000e+00 6.3084e-01 -8.0832e-02 1.1038e-02 3.5069e-02 -6.0000e+00 3.7488e-01 2.5088e-02 5.2566e-03 1.4325e-02 -6.0000e+00 1.6042e-01 3.5297e-04 7.8971e-04 1.1612e-04 2.5787e-04 -6.0000e+00 1.1737e-02 1.1453e-02 0.0000e+00 12 8 8 10 0 0 99.91 23.03 0.36 0.01145 0.01739 114 26 1 5 0 429.330 26.41 20.02 23.03 2.05 22.1 874.64 -130851 -153153 -134622 -68665 -73961 -156661 -97888 -190787 8070 -164439 900000 -101988 -48141 -97063 -47471 -17143 -62476 25309 -40355 37923 -44854 33406 -45359 -23407 -10864 -29499 1356 -34662 -14585 -40466 4034 -25454 16005 -19771 -14151 -8264 -25055 194 -12701 -1459 -2696 5863 3215 5049 3664 -3422 5611 -433 11553 3404 8749 1802 5879 3990 -1692 6817 -873 651 -3503 2304 -203 3570 5450 2486 5183 1592 2479 -368 5176 1180 3892 1759 846 736 -2795 -2933 -5802 -4597 -4118 169 -2370 -2058 -2121 -1243 509 643 2425 2187 2119 87 836 -3256 -2883 -1139 -1203 -230 1021 2043 345 -25 -1882 -2397 -946 -458 -1455 -2383 -1224 -1066 1427 1462 1140 272 -271 -974 -1472 -200 -380 1304 1071 707 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