File name: Pandora64s1_NewHavenCT_20231125_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231126T044653.3Z Data description: Level 2 spectral fitting results file Data file version: fout2c4p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 64 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20231125_L1_smca1c4d20190911p1-8.txt Full location name: New Haven - Criscuolo Park CTDEEP (USEPA AQS ID 34-017-0006) Short location name: NewHavenCT Country of location: USA Location latitude [deg]: 41.3014 Location longitude [deg]: -72.9029 Location altitude [m]: 4 Local noon date: 20231125 Notes on s-number (L1 configuration): Corrections NOT applied although requested by the s-number are latency correction, matrix method stray light correction (replaced by simple method) Data caveats: Mod WL cal slit func 9 First and last pixel inside fitting window: 249 390 Nominal wavelengths inside fitting window [nm]: 305.1279 305.2688 305.4097 305.5506 305.6915 305.8324 305.9732 306.1141 306.2549 306.3958 306.5366 306.6774 306.8182 306.9590 307.0997 307.2405 307.3812 307.5220 307.6627 307.8034 307.9441 308.0848 308.2255 308.3662 308.5068 308.6475 308.7881 308.9287 309.0693 309.2099 309.3505 309.4911 309.6316 309.7722 309.9127 310.0533 310.1938 310.3343 310.4748 310.6153 310.7557 310.8962 311.0366 311.1771 311.3175 311.4579 311.5983 311.7387 311.8791 312.0195 312.1598 312.3002 312.4405 312.5808 312.7211 312.8614 313.0017 313.1420 313.2822 313.4225 313.5627 313.7030 313.8432 313.9834 314.1236 314.2638 314.4039 314.5441 314.6842 314.8244 314.9645 315.1046 315.2447 315.3848 315.5249 315.6649 315.8050 315.9450 316.0851 316.2251 316.3651 316.5051 316.6451 316.7850 316.9250 317.0649 317.2049 317.3448 317.4847 317.6246 317.7645 317.9044 318.0442 318.1841 318.3239 318.4638 318.6036 318.7434 318.8832 319.0230 319.1628 319.3025 319.4423 319.5820 319.7217 319.8614 320.0011 320.1408 320.2805 320.4202 320.5598 320.6995 320.8391 320.9787 321.1183 321.2579 321.3975 321.5371 321.6766 321.8162 321.9557 322.0953 322.2348 322.3743 322.5138 322.6532 322.7927 322.9322 323.0716 323.2110 323.3504 323.4899 323.6292 323.7686 323.9080 324.0474 324.1867 324.3260 324.4654 324.6047 324.7440 324.8833 --------------------------------------------------------------------------------------- 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 20231125T122603.2Z 8729.518093 238 1 48.21 2 85.20 123.17 113.52 319.40 0.00 1 0.00 1 0 25 4.916e-01 6.852e-02 2.407e-01 2.784e-02 1.001168e+00 1.633837e-02 1.151207e-02 -6.000000e+00 2.915678e-01 223.02 -2.00 3.52 -2.00 321.53 0.00e+00 -3.698307e-03 4.946881e-03 5.237589e-03 -6.000000e+00 1.291543e-02 279.12 -2.00 20.00 -2.00 320.91 0.00e+00 10.119 0.019 302.00 328.00 3 -3.8876e-01 4.8856e-02 1.1712e-01 -6.0000e+00 7.1722e-01 2.4441e+00 5.6768e-02 6.3057e-02 -6.0000e+00 7.7886e-01 -2.1884e+00 3.4042e-02 2.6511e-02 -6.0000e+00 4.6464e-01 6.7148e-01 1.8518e-02 8.6476e-03 -6.0000e+00 1.9860e-01 8.3945e-06 -8.8353e-04 7.3744e-04 1.0204e-04 -6.0000e+00 1.4607e-02 1.8856e-03 -2.1039e-04 12 8 8 10 0 0 16.13 21.61 0.59 0.00189 -0.00475 23 6 1 5 0 2095.620 26.11 20.00 21.61 5.58 36.3 930.25 60761 58300 42369 17909 50695 84394 -27825 -64013 19138 83875 -29262 206529 37575 -9661 80066 65876 56766 79583 -14472 89507 14903 180812 900000 82306 17116 44591 -19166 22555 -17306 -98836 27489 64971 74739 64962 -18620 19412 74322 6861 100728 29691 86057 40763 116338 -40133 34885 4161 113040 25020 28991 -59399 59922 50266 204434 20736 32590 48087 40075 8705 49840 27417 7518 -378 42089 24360 90668 20254 34338 62093 43749 24008 40410 40206 20428 -11372 -371 -18274 68297 -19288 -14425 33819 -7459 -38338 -719 16039 13778 -975 13905 9715 9126 17804 -12040 3858 -20710 2750 -2139 22362 2454 -129 5671 -5441 -9004 -5366 -17866 4802 -8194 -6595 -4814 21991 -2455 6590 2320 -986 -3605 2373 -189 -2343 -72 -1015 1327 1803 -3877 5827 2421 6145 5888 -2335 -5708 5373 -926 -518 -2100 -2281 -213 -584 2185 -1063 2513 -213 2238 -211 -2143 -1732 6445 6040 4599 1988 3377 3747 -3775 -11580 1652 3724 -4042 5604 3522 -1668 6320 6338 6022 6675 -2928 5962 1875 4907 900000 5076 1985 3740 -2742 1892 -2092 -29746 2712 4808 5347 4808 -2848 2011 5244 982 7107 4248 7218 5330 7577 -10593 4131 647 6442 3210 3719 -19782 7317 6572 6657 4041 5708 7236 6327 1739 6627 4315 1335 -79 7081 4868 10333 4197 6438 10278 8850 6456 9470 9224 5241 -3563 -91 -4823 8340 -5615 -4733 8093 -3110 -24590 -337 6647 6118 -515 6414 4602 4187 6984 -5970 1599 -11393 1350 -1298 12467 1931 -117 5078 -5234 -8196 -4157 -14588 3234 -6630 -5482 -4263 16492 -2707 7657 2891 -1342 -5120 3123 -248 -3126 -98 -1439 1905 2541 -5488 7733 3237 7656 7234 -3064 -7955 7701 -1528 -976 -4501 -5318 -527 -1566 6101 -3155 7273 -638 6322 -568 -5496 -4166 SS 20231125T123746.3Z 8729.526230 241 1 48.11 2 83.38 125.23 114.82 322.00 0.00 1 0.00 1 0 25 3.904e-01 3.200e-02 1.336e-01 6.572e-03 8.864956e-01 3.789020e-03 1.078602e-02 -6.000000e+00 2.317102e-01 223.02 -2.00 3.52 -2.00 321.98 0.00e+00 3.995723e-02 1.989481e-03 4.890603e-03 -6.000000e+00 1.025234e-02 279.11 -2.00 20.00 -2.00 321.54 0.00e+00 7.888 0.009 302.00 328.00 3 1.0754e-01 1.3676e-02 1.1092e-01 -6.0000e+00 5.7000e-01 1.3595e+00 1.6218e-02 1.1082e-01 -6.0000e+00 6.1880e-01 -1.7425e+00 1.2116e-02 2.3966e-02 -6.0000e+00 3.6916e-01 7.2177e-01 6.0816e-03 3.8105e-02 -6.0000e+00 1.5786e-01 6.2623e-05 -4.0236e-03 1.7670e-04 5.0796e-04 -6.0000e+00 1.1594e-02 -1.4564e-03 -9.6263e-05 12 8 8 10 0 0 79.05 21.64 0.21 -0.00146 -0.03169 89 21 1 5 0 540.500 26.11 20.01 21.64 6.23 36.3 933.21 62318 86236 77559 34377 -144933 -11390 -6626 -57670 -37396 10498 -68537 -50705 -15470 53916 70030 63244 51258 113970 72130 88561 64767 116891 88348 42283 11217 33016 -35490 12458 -17448 -25512 32431 69665 56051 93536 48205 35919 42346 66250 44465 42541 43147 37109 48819 15048 31782 49275 85343 53648 54595 24583 52738 40304 73339 48601 53281 31681 23849 16546 29820 18112 22863 17175 34647 35445 42288 23987 33695 28492 23316 14227 18890 11016 10734 3007 5255 -4845 12650 -3842 -69 5146 980 -5031 691 -4319 -2558 -2674 1142 -818 2181 1560 -1787 -4161 -8317 -9138 -6605 -4343 -3214 -1552 660 -257 482 -1525 -5892 -2988 -4843 -5121 -4336 -1371 -3176 -923 -1194 -1575 -1348 -978 -983 -2008 -594 446 1252 2957 2606 3222 3468 3780 3851 2882 95 863 1724 1236 1274 356 415 -100 697 -89 -1027 240 593 -535 -1357 -2783 1488 1758 1717 1001 -18573 -338 -166 -1814 -911 141 -1976 -1527 -476 1175 1705 1986 1821 2556 2450 2440 2033 1872 1642 1057 331 719 -1478 327 -693 -1373 1288 2277 2370 2697 1946 1565 1764 2292 2051 2126 2212 2092 2596 1061 2179 2999 3828 3541 3778 2234 4359 3686 5545 4416 4500 3193 2487 1754 2675 1867 2437 2221 4359 5038 5887 3982 5221 4830 4591 3406 4489 2817 2582 709 1081 -1005 2203 -868 -18 1568 333 -2063 288 -1979 -1218 -1331 567 -420 1074 738 -820 -1886 -3970 -4869 -4074 -3152 -2732 -1390 622 -240 450 -1291 -4773 -2390 -4205 -4671 -4260 -1333 -3593 -1175 -1714 -2409 -2084 -1481 -1446 -2958 -896 700 2047 4788 4074 4756 4947 5197 5160 3842 130 1317 3059 2337 2685 816 1018 -262 1807 -240 -2813 654 1573 -1439 -3429 -6667 SS 20231125T124805.0Z 8729.533391 244 1 48.25 2 81.82 127.08 115.90 324.34 0.00 1 0.00 1 0 25 4.701e-01 2.147e-02 1.104e-01 3.165e-03 7.822186e-01 1.801909e-03 9.456128e-03 -6.000000e+00 2.791168e-01 223.02 -2.00 3.52 -2.00 321.53 0.00e+00 1.814232e-02 9.242559e-04 2.929164e-03 -6.000000e+00 1.234831e-02 279.11 -2.00 20.00 -2.00 321.07 0.00e+00 6.588 0.005 302.00 328.00 3 6.0566e-01 6.2672e-03 7.7673e-02 -6.0000e+00 6.8662e-01 4.8895e-01 8.4190e-03 4.3259e-02 -6.0000e+00 7.4532e-01 -6.5704e-01 8.2403e-03 2.8500e-02 -6.0000e+00 4.4464e-01 2.7771e-01 3.8916e-03 1.9522e-02 -6.0000e+00 1.9021e-01 1.7887e-04 -1.9605e-03 8.9796e-05 2.8873e-04 -6.0000e+00 1.3963e-02 -2.6498e-03 -6.1079e-05 12 8 8 10 0 0 97.46 21.69 0.16 -0.00265 -0.01738 130 31 1 5 0 371.090 26.11 19.98 21.69 6.52 36.2 933.95 -117456 -86401 -110473 -119035 -291706 -99840 -160667 -135124 -151371 -61333 -137501 -84043 -121003 -74699 -40853 20160 -49529 45432 -26918 67118 -27112 48463 -4182 48066 -27545 2061 -36427 10780 -30567 -21790 -7803 46488 13511 47517 15753 21168 20912 35634 19658 12906 29942 20540 16607 14825 21366 23230 25785 29853 24025 12397 27832 23338 31828 17864 16105 10172 13392 6947 15132 6931 11693 8470 17226 14762 17750 7427 10893 7305 9923 5632 6866 2957 3911 411 1632 -5835 3303 -3427 315 508 262 -3388 -1238 -3392 -1400 -2735 -315 -485 1136 -262 -584 -1593 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