File name: Pandora64s1_NewHavenCT_20240511_L2Fit_fout2c4d20190911p1-8.txt File generation date: 20240514T233731.8Z 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 v1.8.59 Instrument operation file used: Pandora64_OF_v3d20190516.txt Instrument calibration file used: Pandora64s1_CF_v4d20190911.txt Level 1 file used: Pandora64s1_NewHavenCT_20240511_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: 20240511 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 20240511T101024.6Z 8897.423895 55 1 48.13 2 84.96 70.32 104.01 31.14 0.00 1 0.00 1 0 17 5.628e-01 7.864e-02 2.805e-01 3.425e-02 1.284744e+00 2.122372e-02 1.451370e-02 -6.000000e+00 3.443034e-01 230.83 -2.00 3.52 -2.00 321.71 0.00e+00 -1.388903e-03 6.158677e-03 6.242475e-03 -6.000000e+00 1.533548e-02 283.05 -2.00 20.00 -2.00 320.99 0.00e+00 9.748 0.017 302.00 328.00 3 -5.2126e-01 6.4663e-02 1.2337e-01 -6.0000e+00 8.6332e-01 3.3809e+00 7.5518e-02 7.8089e-02 -6.0000e+00 9.3245e-01 -2.8087e+00 4.3819e-02 3.4582e-02 -6.0000e+00 5.5219e-01 7.7094e-01 2.3416e-02 9.9114e-03 -6.0000e+00 2.3268e-01 6.6726e-06 1.3504e-03 7.9877e-04 1.3537e-04 -6.0000e+00 1.6769e-02 2.4382e-03 -1.5508e-04 12 8 8 10 0 0 27.12 21.47 0.44 0.00244 0.01259 21 5 1 5 0 2291.820 25.90 20.00 21.47 12.48 38.0 977.43 64884 71721 132036 25357 38463 -34948 21550 -52275 900000 10717 -7959 60463 -6352 16015 88592 106439 59519 153951 42907 89553 80694 166250 291862 16894 14910 16003 -12890 -49206 -24095 -95908 19380 2742 26134 47113 4589 -8985 15071 64053 91301 37895 136014 70261 27719 -43408 27456 98505 9017 41768 49543 -81088 33452 88981 208953 21208 72276 7909 21670 16900 42974 15345 -16493 32631 43380 53128 116464 41816 13139 73423 43118 40165 39829 23318 25748 776 15796 -16497 170510 8856 -18666 28615 6750 -54677 18801 8389 17915 -82 17925 4087 5103 15941 -14815 1739 -9105 -3844 13951 24067 7473 9393 12790 -4589 -10010 -5968 -16517 -5508 -7293 -3883 9428 30425 2579 6365 15294 4946 5562 -1039 1524 -8289 204 899 -2904 -2937 -4930 -521 -331 2958 2260 -7616 -8384 4241 3203 -1406 -2328 -3718 -128 -1799 2118 -824 2073 861 1745 -613 513 113 8282 8028 7001 3038 3324 -5445 1947 -9114 900000 1010 -938 4275 -1060 2516 7655 8152 7364 7710 5646 7101 6061 5550 9744 2057 1757 1836 -1645 -8117 -3123 -29947 2426 420 3545 4719 622 -1369 1918 5613 6858 5219 7095 6890 3933 -10826 3380 5755 1298 4532 5272 -32645 5026 8169 6976 4204 8596 1766 3979 2927 5111 2241 -3373 4494 6065 7427 9332 6718 2988 9805 8727 8967 8976 5887 5641 188 2802 -3683 6452 1792 -6037 6866 2338 -37152 6865 3311 7027 -36 7069 1685 2098 5422 -6461 642 -4028 -1774 6493 12052 5166 7213 9796 -3975 -8178 -4032 -11353 -3472 -4870 -2616 6073 17925 2370 6637 16610 6027 6943 -1380 1939 -11668 274 1238 -4233 -4107 -6519 -651 -400 3352 2552 -9408 -11048 5880 5138 -2767 -5277 -9447 -345 -5086 6157 -2520 6209 2605 4998 -1743 1328 275 SS 20240511T102213.3Z 8897.432098 58 1 48.52 2 82.85 72.19 102.88 33.41 0.00 1 0.00 1 0 25 5.109e-01 3.077e-02 1.640e-01 6.190e-03 1.104206e+00 3.758302e-03 1.290236e-02 -6.000000e+00 3.121640e-01 230.83 -2.00 3.52 -2.00 322.31 0.00e+00 3.676045e-02 2.207507e-03 9.233575e-03 -6.000000e+00 1.363739e-02 283.05 -2.00 20.00 -2.00 321.90 0.00e+00 7.395 0.007 302.00 328.00 3 1.0987e-01 1.4947e-02 1.3325e-01 -6.0000e+00 7.8096e-01 1.8318e+00 1.7758e-02 1.5167e-01 -6.0000e+00 8.4263e-01 -2.3176e+00 1.2633e-02 3.0286e-02 -6.0000e+00 5.0075e-01 9.3030e-01 6.3302e-03 4.1840e-02 -6.0000e+00 2.1143e-01 6.8384e-05 -3.6326e-03 1.5388e-04 5.2412e-04 -6.0000e+00 1.5205e-02 -1.0097e-03 -9.9464e-05 12 8 8 10 0 0 8.08 21.54 0.22 -0.00101 -0.02831 96 23 1 5 0 505.340 26.00 20.00 21.54 12.80 38.0 979.41 92105 166200 129875 97530 -127979 46772 -31198 23793 -8354 -16963 -63785 -2420 28280 94354 63175 123182 62482 121864 91657 98516 71093 153942 97752 60921 -2739 4085 -14473 -10495 -1766 -36496 51041 64768 70448 68068 101296 27661 80424 28334 66351 46712 86772 49914 97290 13874 77361 59325 113488 51823 69738 22362 109472 51842 121858 51210 69217 44916 57470 18506 55661 22237 26168 28918 46319 36228 61013 37893 41284 38795 38444 28937 26892 21710 18404 9190 5486 2511 13890 -176 6061 9982 3029 -3658 4616 1964 8 3487 1762 3158 1500 2647 -3770 -4280 -10728 -6318 -8314 -1993 -4635 -1028 -601 -34 -681 -1231 -6922 -1292 -4878 -4811 -5449 -1418 -4204 -2204 -1686 -2408 -2440 -1068 -2058 -1668 -174 587 2040 3222 2214 3637 3716 3804 3580 2250 -922 685 2041 1261 1518 253 169 -131 818 -209 -696 44 646 -152 -1002 -3177 2122 1915 2066 1766 -15769 872 -1010 366 -151 -298 -1750 -45 559 1481 1594 2230 2057 2574 2313 2378 1974 1579 1534 1177 -86 108 -437 -304 -52 -1762 1509 1993 2296 2218 2079 1118 1941 1214 2082 1889 2409 2048 2583 784 2615 2506 2945 2690 3241 1644 4096 3385 4560 3653 4428 3204 3780 1523 3292 1671 2024 2491 3914 3896 5423 4283 4734 4810 5315 4874 4780 4002 3241 1583 861 369 1852 -30 1214 2371 833 -1234 1549 707 3 1347 713 1264 600 994 -1420 -1586 -4392 -2815 -4583 -1260 -3606 -834 -524 -29 -540 -933 -5016 -892 -3700 -3818 -4386 -1227 -4356 -2632 -2293 -3560 -3717 -1601 -3061 -2467 -264 928 3076 5131 3372 5123 5039 4982 4598 2894 -1243 1038 3395 2458 3343 616 417 -350 2300 -610 -2045 128 1815 -398 -2432 -7794 SS 20240511T103238.9Z 8897.439339 61 1 48.31 2 80.98 73.83 101.82 35.38 0.00 1 0.00 1 0 17 6.861e-01 2.106e-02 9.495e-02 2.349e-03 9.446304e-01 1.389086e-03 1.115062e-02 -6.000000e+00 4.193203e-01 230.83 -2.00 3.52 -2.00 321.79 0.00e+00 1.422437e-02 7.896358e-04 5.070864e-03 -6.000000e+00 1.831703e-02 283.05 -2.00 20.00 -2.00 321.33 0.00e+00 6.043 0.004 302.00 328.00 3 3.1049e-01 5.2087e-03 8.1489e-02 -6.0000e+00 1.0491e+00 5.7485e-01 7.4597e-03 5.4829e-02 -6.0000e+00 1.1318e+00 -7.7083e-01 7.4530e-03 3.4089e-02 -6.0000e+00 6.7261e-01 3.1745e-01 3.3870e-03 1.6861e-02 -6.0000e+00 2.8406e-01 3.1879e-04 -1.6350e-03 6.1157e-05 3.1341e-04 -6.0000e+00 2.0422e-02 -1.7029e-03 -7.9613e-05 12 8 8 10 0 0 0.01 21.55 0.23 -0.00170 -0.01399 224 54 1 5 0 215.620 26.00 19.99 21.55 13.28 37.9 981.18 -237700 -159087 -211352 -189828 -345135 -168367 -236328 -168787 -205400 -174926 -226289 -151471 -158542 -101044 -93322 -36114 -74924 -6818 -58283 -16300 -57779 8759 -36807 -10003 -51679 -30020 -50948 -47014 -52194 -72468 -20638 11183 17239 19602 14419 5792 7460 7672 24564 12550 29067 17697 31572 14071 24479 19728 40889 22954 29182 17511 34822 27716 38679 23679 28820 18141 21795 13230 20704 10669 16689 13078 19691 18762 21143 12751 17327 10270 14290 10737 10154 7130 6189 4193 3486 1140 3227 -2446 1244 1793 325 -617 -681 -2231 -1097 -564 170 282 1307 138 -1519 -2156 -3970 -3063 -2537 -1758 -2313 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