File name: Pandora177s1_WestportCT_20231231_L2Fit_fout2c5d20230401p1-8.txt File generation date: 20240829T163023.1Z 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_20231231_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: 20231231 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 20231231T133653.1Z 8765.567281 304 1 48.51 2 79.11 134.28 70.94 272.48 0.00 1 0.00 1 0 25 4.407e-01 1.477e-02 3.213e-01 9.903e-03 6.495204e-01 5.695417e-03 8.624813e-03 -6.000000e+00 2.635513e-01 223.25 -2.00 3.51 -2.00 321.53 0.00e+00 1.398037e-02 2.830894e-03 5.660263e-03 -6.000000e+00 1.220049e-02 276.07 -2.00 20.00 -2.00 321.08 0.00e+00 5.100 0.002 302.00 328.00 3 2.9084e+00 1.9497e-02 6.3036e-02 -6.0000e+00 6.5240e-01 1.7368e-01 2.7513e-02 3.8538e-02 -6.0000e+00 7.1055e-01 -2.5115e-01 2.9339e-02 3.4697e-02 -6.0000e+00 4.1687e-01 9.8955e-02 1.3896e-02 2.0975e-02 -6.0000e+00 1.7878e-01 8.8548e-05 2.8137e-05 3.1451e-04 3.2237e-04 -6.0000e+00 1.3235e-02 2.6519e-03 0.0000e+00 12 8 8 10 0 0 96.16 23.11 0.58 0.00265 0.00286 44 10 1 5 0 1102.300 26.51 19.97 23.11 5.77 22.1 894.57 -187735 900000 -197096 -116418 -132324 900000 900000 129479 900000 900000 -173058 -145099 -55177 -94752 900000 -80675 -4160 110211 -25372 92583 -48622 -13800 -63403 -60424 -2742 -38735 -41535 -70912 96290 513 900000 -8594 18202 -36942 38975 -19323 -24062 4239 24486 -7663 -13808 13753 -10372 2039 -18752 6183 -4153 16264 7382 6855 8659 3310 9926 1029 21921 9394 14847 3645 7599 -1061 2956 7854 7365 2728 5348 2894 -124 5372 15154 7055 3556 -317 316 577 130 -4542 -3206 179 -2766 -275 -5624 -1776 -4686 -3289 375 738 3473 1922 3705 1067 1879 -3510 -4154 -1733 -3890 -1019 -308 1206 1327 94 -1525 -2002 -706 639 -3221 -2405 -212 -1311 1587 559 683 182 456 -1786 -1468 -943 463 1240 889 300 1394 1184 1411 1259 578 -981 -462 427 865 -947 -979 -1580 -507 222 522 633 142 927 422 50 -764 -1266 -2535 900000 -3548 -1123 -1276 900000 900000 1249 900000 900000 -2670 -2052 -532 -1462 900000 -1660 -49 1063 -437 893 -1105 -219 -1660 -1582 -42 -854 -944 -2198 929 10 900000 -260 476 -1730 832 -745 -1077 169 945 -465 -980 796 -807 146 -1718 460 -358 1199 630 637 877 392 1196 144 2582 1281 1923 520 1026 -159 456 1304 1400 600 1186 648 -28 1232 3539 2007 1124 -106 102 173 36 -1280 -863 50 -911 -105 -2437 -829 -2437 -1792 225 469 2246 1283 2391 676 1107 -2054 -2413 -1051 -2756 -818 -283 1225 1429 101 -1521 -1812 -600 551 -3075 -2416 -222 -1495 1957 778 1030 286 706 -2708 -2113 -1323 656 1835 1389 482 2170 1775 2034 1763 786 -1306 -611 605 1382 -1724 -1928 -3307 -1110 515 1278 1606 368 2405 1085 123 -1783 -2820 SS 20231231T134219.1Z 8765.571055 307 1 11.86 2 78.38 135.31 71.95 273.32 0.00 1 0.00 1 0 25 3.689e-01 1.539e-02 2.471e-01 6.749e-03 6.169925e-01 3.699247e-03 8.823480e-03 -6.000000e+00 2.163648e-01 223.25 -2.00 3.51 -2.00 321.01 0.00e+00 1.065189e-02 1.633165e-03 7.654732e-03 -6.000000e+00 9.516418e-03 276.07 -2.00 20.00 -2.00 320.55 0.00e+00 4.806 0.002 302.00 328.00 3 2.2628e+00 1.1916e-02 6.4444e-02 -6.0000e+00 5.3313e-01 1.2837e-01 1.5853e-02 4.8066e-02 -6.0000e+00 5.7874e-01 -1.8810e-01 1.6162e-02 3.4476e-02 -6.0000e+00 3.4480e-01 7.7884e-02 7.8812e-03 1.5561e-02 -6.0000e+00 1.4892e-01 2.3243e-04 -3.5650e-04 2.0306e-04 2.8026e-04 -6.0000e+00 1.0836e-02 2.5574e-03 0.0000e+00 12 9 9 12 9 1 21.95 23.10 0.24 0.00256 -0.00012 13 13 1 5 0 846.550 26.51 20.02 23.10 6.04 22.2 896.50 -121183 900000 -22711 -128814 -199369 -143447 -96319 -117878 -97375 -33679 52146 -95236 118854 -75850 -41170 -40646 -17301 -37034 37221 -64125 51231 -1248 -33535 -18982 -61370 -47940 -12426 -18074 16612 13624 27981 -8822 13851 -64 11705 -17069 -16415 -3542 -1788 2359 2900 2000 -2377 3878 2266 -2307 11876 6857 3298 10405 15709 6773 9397 5201 463 -1205 1339 1046 4661 4920 2630 11667 8026 4258 1114 60 4073 -243 4605 4387 2529 2640 2144 -639 -2231 -6394 -2069 -5232 -3956 -3724 -1900 589 -3466 -2705 206 764 751 3296 1930 2603 -1374 -4293 -3312 -2502 -2562 -1769 541 2186 865 675 -2440 -2844 -1422 -1537 -1664 -1164 -970 -26 952 1997 1619 515 -221 -416 -1625 -375 195 1104 1545 1041 793 1634 1445 594 129 -1206 -1050 333 370 -1162 -1000 -1459 -1495 -396 209 499 797 1043 485 478 -424 -1534 -1329 900000 -149 -1766 -5138 -2045 -898 -1487 -1068 -222 343 -1358 782 -1539 -745 -869 -332 -954 490 -2426 618 -25 -956 -489 -2524 -1761 -320 -495 337 321 690 -377 532 -3 462 -908 -963 -217 -128 186 251 187 -245 389 239 -263 1218 771 405 1284 2033 1062 1561 958 93 -253 276 213 902 960 561 2552 2064 1249 348 19 1199 -79 1591 1708 1079 1149 912 -261 -844 -2300 -685 -1882 -1609 -1784 -1034 350 -2320 -1910 150 588 605 2635 1540 1972 -1015 -3064 -2295 -1827 -2124 -1686 579 2378 1010 776 -2659 -3051 -1434 -1596 -1843 -1360 -1106 -31 1270 2930 2581 858 -366 -659 -2475 -551 290 1717 2519 1744 1312 2581 2204 885 186 -1696 -1467 492 615 -2187 -1881 -2903 -3140 -875 487 1202 1952 2564 1184 1118 -940 -3267 SS 20231231T134643.4Z 8765.574114 310 1 48.84 2 77.80 136.16 72.77 273.99 0.00 1 0.00 1 0 25 2.913e-01 1.056e-02 7.533e-02 1.647e-03 5.963684e-01 8.970091e-04 7.839350e-03 -6.000000e+00 1.708835e-01 223.25 -2.00 3.51 -2.00 321.01 0.00e+00 6.479473e-03 3.933971e-04 5.387512e-03 -6.000000e+00 7.435026e-03 276.07 -2.00 20.00 -2.00 320.53 0.00e+00 4.595 0.002 302.00 328.00 3 8.0075e-01 2.8203e-03 5.8450e-02 -6.0000e+00 4.2105e-01 3.8261e-02 3.8441e-03 4.0278e-02 -6.0000e+00 4.5707e-01 -5.8093e-02 4.0796e-03 2.7652e-02 -6.0000e+00 2.7209e-01 1.4998e-02 1.9935e-03 1.1753e-02 -6.0000e+00 1.1688e-01 1.2868e-03 3.0215e-04 5.0444e-05 1.7146e-04 -6.0000e+00 8.5570e-03 1.9578e-03 0.0000e+00 12 8 8 10 0 0 84.88 23.10 0.40 0.00196 0.00423 321 74 1 5 0 152.110 26.51 20.00 23.10 6.58 22.4 901.49 -92223 -80799 -105538 -105142 -103233 -99706 -59244 -102503 -88140 -83994 -103430 -85033 -41979 -33494 -16588 -28754 -22101 -5671 -17600 -9388 -12918 -20042 -18864 -22432 -15936 -24967 -25254 -22545 -21340 -17397 -11223 -2474 -7491 -3833 -13279 -9832 -8852 943 -11 -1434 -3822 -1428 162 -732 1542 1675 344 -700 1641 1515 1584 3888 3356 3530 2016 2136 607 -1122 -1998 -426 1157 3303 5263 4863 2354 158 -187 167 2912 2251 2223 1946 1041 90 -2020 -3240 -4528 -4079 -1905 -1685 -1600 -1385 -2507 -1268 305 808 1808 1675 1747 1106 283 -1338 -2628 -1543 -1132 -456 859 1721 735 -344 -1630 -2354 -496 -268 -1475 -1897 -1230 -565 1058 1408 1119 508 -185 -719 -1157 -470 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