File name: Pandora64s1_NewHavenCT_20250112_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20250113T063317.4Z 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 v1.8.60 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20250112_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: 20250112 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 20250112T130227.6Z 9143.543375 287 1 48.60 2 83.49 126.31 101.79 324.29 0.00 1 0.00 1 0 25 6.225e-01 3.633e-02 2.191e-01 1.046e-02 9.909762e-01 6.157499e-03 1.182825e-02 -6.000000e+00 3.704878e-01 223.62 -2.00 3.52 -2.00 322.09 0.00e+00 4.077575e-02 2.828475e-03 8.030394e-03 -6.000000e+00 1.613778e-02 275.18 -2.00 20.00 -2.00 321.68 0.00e+00 8.009 0.009 302.00 328.00 3 5.6547e-01 2.1039e-02 1.2489e-01 -6.0000e+00 9.1351e-01 1.8384e+00 2.4022e-02 1.3158e-01 -6.0000e+00 9.9174e-01 -2.2961e+00 1.5949e-02 2.5749e-02 -6.0000e+00 5.9013e-01 9.2894e-01 8.5979e-03 3.8474e-02 -6.0000e+00 2.5149e-01 2.8707e-05 -4.2735e-03 2.7230e-04 4.3598e-04 -6.0000e+00 1.8490e-02 -1.1516e-03 -1.1425e-04 12 9 8 11 8 0 28.19 21.48 0.17 -0.00115 -0.03326 47 11 1 5 0 1033.960 25.90 20.00 21.48 6.17 37.8 941.00 115237 243017 176812 209716 -86703 99356 10812 39861 22853 -10698 -31601 5144 8385 55297 120039 151510 95376 256907 74404 260077 89634 900000 117327 125443 -11203 46668 -46692 24766 3483 -37293 23565 65978 42637 121299 66086 87256 35378 36174 41036 50082 85350 77102 46736 18288 43345 48874 81223 53495 34913 4057 85109 41330 109081 37695 68650 17340 29608 4247 46908 18629 30242 13799 55508 2422 58533 22437 34746 28391 40204 19556 31605 13463 16843 -385 124 -12893 35324 -18477 5532 5015 7345 -3712 3024 -3763 3946 -7617 3645 -6383 3106 2006 -3682 -6793 -12093 -12967 -6483 -2352 -5245 13 2159 768 -1774 -444 -5962 -2237 -6884 -4897 -6791 2327 -5035 -1862 -2219 -2414 -1178 -183 -2356 -1294 -1104 1285 374 4624 2479 4941 2262 5982 2629 3724 -1305 1849 1203 2341 949 506 -209 406 642 107 -1558 -54 132 -590 -645 -2398 5287 3469 4394 3278 -16746 2596 524 1143 641 -361 -1248 174 395 2290 3366 3913 4376 2619 4267 2652 3541 900000 2632 2132 -585 1301 -2916 808 146 -2947 1336 3094 2635 3545 2920 2906 1849 1936 2196 2723 3307 3302 2827 1410 2679 2990 4030 3511 2914 491 5322 4003 5931 4011 5162 2066 2943 506 3698 1840 2852 1750 5376 428 6602 3617 5115 4631 6405 3976 6243 2955 3313 -81 24 -2596 4412 -4133 1188 1326 2220 -1427 1168 -1620 1654 -3512 1639 -3019 1394 866 -1576 -2909 -5570 -6375 -3584 -1514 -4147 11 1997 709 -1556 -339 -4349 -1585 -5424 -3955 -6078 2111 -5373 -2242 -3045 -3555 -1751 -267 -3430 -1852 -1640 1956 601 7129 3725 6837 3106 7662 3405 4718 -1754 2724 2013 4470 2066 1203 -512 1057 1778 306 -4550 -155 371 -1550 -1565 -5769 SS 20250112T131258.0Z 9143.550671 290 1 48.36 2 81.92 128.20 102.86 326.27 0.00 1 0.00 1 0 25 4.126e-01 2.469e-02 1.254e-01 3.974e-03 8.785496e-01 2.286872e-03 1.006159e-02 -6.000000e+00 2.454268e-01 223.62 -2.00 3.52 -2.00 321.78 0.00e+00 2.442864e-02 1.172388e-03 2.226250e-03 -6.000000e+00 1.066250e-02 275.18 -2.00 20.00 -2.00 321.36 0.00e+00 6.667 0.005 302.00 328.00 3 7.3164e-01 7.9197e-03 8.7346e-02 -6.0000e+00 6.0536e-01 7.8762e-01 1.0546e-02 7.0130e-02 -6.0000e+00 6.5735e-01 -1.0582e+00 1.0323e-02 2.6704e-02 -6.0000e+00 3.9105e-01 4.4325e-01 4.8817e-03 2.5560e-02 -6.0000e+00 1.6644e-01 1.2420e-04 -2.6339e-03 1.0890e-04 3.1311e-04 -6.0000e+00 1.2253e-02 -2.0391e-03 -7.7870e-05 12 8 8 10 0 0 73.15 21.50 0.26 -0.00204 -0.02183 112 27 1 5 0 431.500 25.90 20.01 21.50 6.97 37.9 944.54 -90692 -50093 -76566 -101771 -260830 -82388 -117389 -139044 -113793 -80462 -104888 -70557 -83617 -57140 -21926 -20442 -18935 30691 908 14127 -7778 18482 35624 49850 -29638 104 -63974 -13980 -23962 -41795 11001 20607 33278 45748 39499 16052 19783 22463 25473 15808 46666 33465 48886 25780 36281 38659 46512 32664 36903 21726 44489 37230 52207 29927 33212 16421 23347 11696 22385 15114 20200 16353 22799 15407 28143 16621 16299 14859 13357 9422 12539 7760 8442 4071 4164 -1256 5190 -3966 -691 2307 1574 -327 -937 -3226 -2133 -2346 138 -1132 578 1272 -1933 -2184 -5641 -4468 -3536 -2519 -3070 -113 427 -17 -368 -1847 -4396 -1527 -2389 -3517 -2329 -1787 -2315 -656 -721 -916 -1184 -129 -1082 -864 222 630 1500 2055 1474 1667 2164 2582 2572 2281 -816 988 1681 1291 1120 225 -248 -290 251 -160 -682 249 425 -545 -652 -2084 -1246 -512 -1052 -1613 -17547 -926 -1728 -2204 -1499 -748 -1300 -793 -1523 -1107 -391 -436 -447 488 20 274 -178 301 469 541 -677 2 -2008 -271 -566 -1457 294 599 980 1205 1025 529 674 835 1046 796 1844 1595 2121 1458 1926 2112 2487 1967 2288 1714 3134 3095 4009 3046 3299 1926 2516 1364 2279 1682 2305 2218 3357 2778 4679 3103 3180 3104 3180 2397 3251 2120 2167 1000 1000 -292 1137 -1046 -195 763 613 -148 -460 -1707 -1188 -1370 81 -685 339 706 -1042 -1145 -3107 -2699 -2307 -1938 -2788 -114 458 -18 -361 -1636 -3693 -1278 -2148 -3343 -2371 -1991 -2740 -876 -1075 -1443 -1888 -199 -1636 -1289 339 1002 2476 3381 2342 2513 3146 3605 3505 3060 -1134 1511 2975 2430 2346 511 -568 -709 650 -429 -1848 673 1117 -1354 -1515 -4912 SS 20250112T132344.8Z 9143.558157 293 1 48.33 2 80.35 130.18 103.91 328.33 0.00 1 0.00 1 0 25 6.120e-01 1.351e-02 7.595e-02 1.982e-03 7.758929e-01 1.114099e-03 8.844441e-03 -6.000000e+00 3.640204e-01 223.62 -2.00 3.52 -2.00 321.31 0.00e+00 7.229180e-03 5.298100e-04 1.476839e-03 -6.000000e+00 1.581506e-02 275.18 -2.00 20.00 -2.00 320.87 0.00e+00 5.696 0.003 302.00 328.00 3 7.7392e-01 3.6807e-03 7.0110e-02 -6.0000e+00 8.9787e-01 1.8646e-01 5.1546e-03 4.2505e-02 -6.0000e+00 9.7502e-01 -2.5985e-01 5.5145e-03 2.5040e-02 -6.0000e+00 5.8003e-01 1.0559e-01 2.6205e-03 1.1530e-02 -6.0000e+00 2.4686e-01 3.8106e-04 -1.3049e-03 5.6264e-05 1.5534e-04 -6.0000e+00 1.8175e-02 -2.3157e-03 -1.0642e-04 12 8 8 10 0 0 -32.58 21.51 0.13 -0.00232 -0.01212 209 50 1 5 0 231.180 25.90 20.01 21.51 8.06 38.0 950.05 -230797 -172845 -223637 -190771 -308090 -172809 -206503 -150115 -181588 -104286 -171674 -110406 -129426 -93036 -91445 -25146 -76938 -5896 -60293 813 -50584 -8874 -37109 -36353 -38055 -17555 -50065 -26395 -41670 -42524 -15907 3751 -3232 -5120 -3660 -7031 -5790 2363 5940 5061 10319 6093 9513 1453 9788 10147 14685 7161 11071 5425 16161 10315 17170 9579 11336 5323 6897 3091 8631 2851 6011 4823 9066 5615 8553 2586 4714 2392 3821 2822 3423 1252 1173 -368 142 -2532 446 -2272 -556 -572 -1189 -1373 -1430 -2651 -1602 -1397 -133 -173 744 310 -767 -704 -1768 -1451 -822 -164 -785 980 447 -151 -631 -1399 -2733 -126 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