File name: Pandora64s1_NewHavenCT_20231111_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20231112T044109.9Z 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_20231111_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: 20231111 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 20231111T120843.9Z 8715.506063 108 1 48.33 2 85.09 118.40 67.04 130.55 0.00 1 0.00 1 0 17 3.630e-01 7.022e-02 1.717e-01 2.898e-02 9.435443e-01 1.673071e-02 1.087074e-02 -6.000000e+00 2.156450e-01 223.52 -2.00 3.52 -2.00 321.03 0.00e+00 -3.401071e-03 4.298783e-03 1.773278e-03 -6.000000e+00 9.597292e-03 280.71 -2.00 20.00 -2.00 320.34 0.00e+00 9.957 0.018 302.00 328.00 3 -1.1802e-01 4.8465e-02 1.1106e-01 -6.0000e+00 5.3074e-01 2.3279e+00 5.5937e-02 4.9268e-02 -6.0000e+00 5.7607e-01 -2.0643e+00 3.2249e-02 2.3036e-02 -6.0000e+00 3.4387e-01 6.4666e-01 1.6980e-02 7.5985e-03 -6.0000e+00 1.4691e-01 8.1141e-06 -1.4944e-03 7.6879e-04 1.0839e-04 -6.0000e+00 1.0783e-02 4.2408e-03 -1.9705e-04 12 8 8 10 0 0 23.24 20.98 0.65 0.00424 -0.00699 19 5 1 5 0 2543.170 25.58 19.99 20.98 11.74 37.2 957.22 44996 106232 14489 13990 -37230 18472 -22436 -48323 79544 52532 -5411 24283 -10770 24574 33872 23947 43700 98273 10896 18557 8172 75223 126504 42999 -21694 49937 -33541 919 10944 -84375 -25221 30124 48333 28374 -10709 -8169 69892 -2581 34173 26501 156469 27379 39017 -47884 29245 -5304 78502 -34308 28078 -48068 74934 21121 61289 -5181 67161 31531 81059 3302 36342 -6007 57280 13760 24217 4367 62294 3820 20590 53537 29535 28759 34504 21774 25473 19147 -9364 -23137 56937 3342 -11068 22439 2577 -46441 -4900 7848 2096 2997 9963 -1261 10763 8718 -10860 14307 -18161 -9704 -2072 18467 -8032 9234 -1826 143 -3335 -900 -15481 5852 -6434 -7624 9664 22883 2458 6366 5665 -2360 -2069 2613 -638 -1168 -160 -1433 -3809 348 -1428 2362 568 6817 3667 -4710 -5749 5870 -226 -1816 -1804 -694 -908 -966 1562 1036 296 1034 3717 -1325 -1614 -2269 6242 7642 2345 1833 -6791 1803 -3285 -9311 4291 3644 -667 2495 -1826 3346 4699 3876 5838 7574 1903 2813 1239 5411 6077 4419 -4180 4490 -6290 109 1125 -24494 -4665 3482 5463 3688 -1678 -1238 5728 -451 5215 4357 7959 4572 6175 -15377 4545 -1022 7099 -8902 4443 -15806 8682 4476 9179 -1437 10059 6772 10308 772 6162 -1477 7608 3072 5406 1178 10386 1021 5295 10439 8179 8777 10238 6545 7486 5357 -3043 -7780 8528 926 -3782 7102 1039 -34480 -2556 3770 1120 1632 5145 -719 5253 4054 -5747 5734 -10358 -5684 -1315 11149 -7284 7947 -1824 135 -2982 -696 -12925 4090 -5372 -6718 7746 17695 2665 7605 7596 -3608 -3188 3765 -921 -1681 -235 -2223 -6292 547 -2176 3289 783 8529 4645 -6364 -8004 8279 -396 -3686 -3738 -1537 -2173 -2490 4200 2883 838 2923 9925 -3476 -3969 -5296 SS 20231111T122019.0Z 8715.514109 111 1 48.22 2 83.20 120.42 65.50 133.08 0.00 1 0.00 1 0 25 4.406e-01 3.489e-02 1.460e-01 6.288e-03 7.956319e-01 3.568208e-03 1.012563e-02 -6.000000e+00 2.618564e-01 223.51 -2.00 3.52 -2.00 321.79 0.00e+00 3.788880e-02 1.816175e-03 7.911255e-04 -6.000000e+00 1.164779e-02 280.71 -2.00 20.00 -2.00 321.32 0.00e+00 7.712 0.008 302.00 328.00 3 3.8301e-01 1.2697e-02 9.2688e-02 -6.0000e+00 6.4449e-01 1.1706e+00 1.4982e-02 7.3276e-02 -6.0000e+00 6.9942e-01 -1.5258e+00 1.0870e-02 2.3560e-02 -6.0000e+00 4.1751e-01 6.3468e-01 5.4586e-03 3.2540e-02 -6.0000e+00 1.7847e-01 6.5031e-05 -3.6237e-03 1.7654e-04 5.2479e-04 -6.0000e+00 1.3087e-02 2.6934e-03 -1.2880e-04 12 8 8 10 0 0 22.67 20.99 0.17 0.00269 -0.02454 78 19 1 5 0 618.160 25.58 19.99 20.99 12.47 37.2 960.72 20052 114642 30408 74286 -145110 68982 -69061 904 -36413 87787 -81491 42862 -37177 98836 22631 127472 64177 158134 68022 116580 41437 138929 77879 60316 -5537 10530 -19843 2361 3156 -29051 51132 45921 65458 61231 60151 33139 61469 41337 72647 35653 56734 38348 72539 30091 63473 50328 81019 44326 62802 29441 68704 59765 54554 31426 53359 21191 35356 4256 31582 14115 28802 14791 42456 25680 39789 17806 28074 18406 22417 13502 13939 9250 9216 -3212 4220 -4267 9055 -4696 -77 3874 1842 -5980 -1808 -2660 -1754 -2706 -761 -753 1270 795 -2938 -3422 -10159 -7939 -7539 -3460 -6058 151 -449 1442 -1245 -1320 -7468 -2567 -4121 -4849 -5349 -1001 -3288 -787 -1555 -445 -917 -249 -1634 -1103 -107 1116 1234 2533 1903 3612 3387 3722 3475 3054 -762 1738 2440 1658 1818 655 -33 -290 660 -632 -838 -259 465 -436 -1076 -3270 771 1853 1136 1532 -19943 1100 -3272 20 -934 646 -2907 604 -1513 1575 908 2345 2218 2521 2426 2716 1686 2044 1862 1479 -231 349 -864 84 124 -1765 1975 2196 2889 2778 2471 1727 2487 2180 3029 2086 3061 2351 3691 2214 3853 3338 4570 3483 4305 3003 5169 5263 5291 3959 5264 2787 3882 607 3344 1833 3516 2374 5939 4781 6653 3652 5304 3960 5123 3428 3668 2542 2387 -861 1028 -1035 1918 -1246 -21 1251 703 -2790 -866 -1347 -935 -1523 -437 -438 717 430 -1546 -1739 -5543 -4657 -5180 -2721 -5302 143 -456 1408 -1160 -1100 -6146 -2070 -3604 -4480 -5391 -1062 -4044 -1076 -2379 -656 -1363 -386 -2487 -1654 -166 1663 1938 3970 2906 5585 5103 5392 4923 4266 -1108 2744 4119 3186 3854 1502 -76 -712 1707 -1707 -2290 -712 1240 -1103 -2573 -7526 SS 20231111T123039.2Z 8715.521288 114 1 48.29 2 81.54 122.26 64.17 135.40 0.00 1 0.00 1 0 25 5.374e-01 1.516e-02 8.039e-02 2.427e-03 7.104009e-01 1.363307e-03 8.334549e-03 -6.000000e+00 3.193898e-01 223.51 -2.00 3.52 -2.00 321.35 0.00e+00 9.225396e-03 6.877677e-04 2.597226e-03 -6.000000e+00 1.420627e-02 280.71 -2.00 20.00 -2.00 320.84 0.00e+00 6.399 0.005 302.00 328.00 3 4.6314e-01 4.7113e-03 7.4132e-02 -6.0000e+00 7.8609e-01 1.9926e-01 6.4300e-03 3.8945e-02 -6.0000e+00 8.5308e-01 -2.8170e-01 6.3861e-03 2.4210e-02 -6.0000e+00 5.0923e-01 1.1468e-01 3.0162e-03 1.1584e-02 -6.0000e+00 2.1768e-01 2.9045e-04 -1.4540e-03 7.1658e-05 1.7316e-04 -6.0000e+00 1.5961e-02 2.4763e-03 -1.2399e-04 12 8 8 10 0 0 -0.66 20.98 0.23 0.00248 -0.00845 191 46 1 5 0 252.790 25.58 20.02 20.98 13.29 37.2 964.76 -159575 -180482 -151356 -181676 -297828 -181123 -147423 -184674 -117264 -135505 -105339 -138937 -79749 -84537 -47870 -56145 -31475 -17293 -33467 -31161 -33504 -34660 -14069 -48876 -36378 -24275 -17821 -40230 -19004 -42444 -3997 7678 4699 -510 4329 -13328 4866 -1730 8070 7913 9568 4554 9710 2415 7958 9470 11098 8808 13693 6340 15079 14022 12529 12871 11182 9498 5597 4376 5384 5562 7313 7729 8988 9735 7222 4106 4369 4023 3612 4046 2234 2852 1013 586 -1275 -2530 -23 -2654 -1260 104 -1195 -1727 -2279 -2518 -1142 -1223 -125 36 1076 368 -204 -790 -2355 -1729 -959 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