File name: Pandora55s1_QueensNY_20241005_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20241006T045138.6Z Data description: Level 2 spectral fitting results file Data file version: fout2c18p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.60 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20241005_L1_smca1c18d20230426p1-8.txt Full location name: Queens College NYSDEC (USEPA AQS ID 36-081-0124) Short location name: QueensNY Country of location: USA Location latitude [deg]: 40.7361 Location longitude [deg]: -73.8215 Location altitude [m]: 25 Local noon date: 20241005 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: Based on session 17 for new VP from 20230426 First and last pixel inside fitting window: 261 404 Nominal wavelengths inside fitting window [nm]: 305.0111 305.1511 305.2911 305.4311 305.5710 305.7110 305.8510 305.9909 306.1308 306.2708 306.4107 306.5506 306.6905 306.8303 306.9702 307.1101 307.2499 307.3897 307.5296 307.6694 307.8092 307.9490 308.0888 308.2286 308.3683 308.5081 308.6478 308.7876 308.9273 309.0670 309.2067 309.3464 309.4861 309.6257 309.7654 309.9050 310.0447 310.1843 310.3239 310.4635 310.6031 310.7427 310.8823 311.0219 311.1614 311.3010 311.4405 311.5800 311.7195 311.8590 311.9985 312.1380 312.2775 312.4169 312.5564 312.6958 312.8352 312.9747 313.1141 313.2535 313.3929 313.5322 313.6716 313.8110 313.9503 314.0896 314.2290 314.3683 314.5076 314.6469 314.7861 314.9254 315.0647 315.2039 315.3432 315.4824 315.6216 315.7608 315.9000 316.0392 316.1784 316.3175 316.4567 316.5958 316.7350 316.8741 317.0132 317.1523 317.2914 317.4305 317.5695 317.7086 317.8476 317.9867 318.1257 318.2647 318.4037 318.5427 318.6817 318.8207 318.9596 319.0986 319.2375 319.3765 319.5154 319.6543 319.7932 319.9321 320.0710 320.2098 320.3487 320.4875 320.6264 320.7652 320.9040 321.0428 321.1816 321.3204 321.4592 321.5979 321.7367 321.8754 322.0141 322.1529 322.2916 322.4303 322.5689 322.7076 322.8463 322.9849 323.1236 323.2622 323.4008 323.5394 323.6780 323.8166 323.9552 324.0938 324.2323 324.3709 324.5094 324.6479 324.7864 324.9249 --------------------------------------------------------------------------------------- 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 100-243: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 244-387: 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 20241005T115235.8Z 9044.494859 58 1 50.16 2 80.41 105.25 109.95 98.19 0.00 1 0.00 1 0 25 5.705e-01 3.071e-02 2.122e-01 5.341e-03 7.647109e-01 3.048052e-03 8.730074e-03 -6.000000e+00 3.462958e-01 226.97 -2.00 3.51 -2.00 321.44 0.00e+00 1.184792e-02 1.612599e-03 1.003270e-03 -6.000000e+00 1.634739e-02 285.44 -2.00 20.00 -2.00 320.89 0.00e+00 5.719 0.003 302.00 328.00 3 2.2269e+00 1.0893e-02 7.1510e-02 -6.0000e+00 8.6006e-01 4.7047e-01 1.4643e-02 4.7686e-02 -6.0000e+00 9.3719e-01 -6.6496e-01 1.3174e-02 2.2373e-02 -6.0000e+00 5.5467e-01 2.7368e-01 6.1300e-03 1.5459e-02 -6.0000e+00 2.3034e-01 8.1798e-05 -2.3415e-03 1.5361e-04 1.7240e-04 -6.0000e+00 1.7489e-02 1.8527e-03 0.0000e+00 12 8 8 10 0 0 34.69 22.47 0.60 0.00185 -0.01574 34 6 1 5 0 1474.990 26.21 19.98 22.47 23.75 37.7 1035.14 -139609 -212497 900000 -212897 -63780 900000 -82148 900000 8357 -30970 -203924 -129071 -160355 -1131 900000 65643 -65054 -57846 900000 900000 -15291 92458 103248 -110666 47421 -22116 900000 16074 -23221 -32836 36099 164230 19464 97077 44130 900000 -9370 -28836 71728 145811 17663 70487 -465 7441 46282 198665 11036 104531 64110 90645 28406 24591 894 92544 56681 40835 55491 34136 39527 16394 -5254 44346 17985 -8781 32726 -3825 39017 946 15946 10961 5683 10673 13676 -5546 18365 5850 6583 21542 -1262 -601 -10656 13296 -3186 1533 -5689 78 -7462 -2006 -5627 -2102 -295 -5465 1294 -1437 -898 -1055 -3364 -3331 -1342 -1392 -939 -588 -44 3481 -74 -420 -3917 -2312 -418 2689 23 -3423 -15 -899 -642 -850 1361 2039 936 -370 -2234 -492 2399 4307 617 1616 82 2427 727 54 867 1766 1402 1403 646 -879 357 324 182 -1845 -773 -849 -50 -1050 -2207 -8196 900000 -9026 -593 900000 -807 900000 43 -205 -7466 -2504 -5128 -10 900000 495 -2044 -1893 900000 900000 -383 801 789 -6727 650 -605 900000 302 -636 -1042 682 1085 628 1651 1279 900000 -439 -1782 1977 2301 1079 2844 -39 604 2666 2726 932 3788 3584 4188 2554 2533 127 6027 5523 4799 5828 4381 4741 2381 -934 5199 2998 -2129 5982 -1030 7084 246 3785 3010 1828 3533 4511 -2134 5315 1746 1780 4890 -370 -198 -4535 5276 -1651 825 -3465 47 -5122 -1370 -4053 -1461 -195 -3602 764 -857 -557 -734 -2734 -3106 -1377 -1542 -1046 -623 -43 3062 -67 -395 -3999 -2451 -465 3177 30 -5112 -24 -1418 -997 -1282 1969 2952 1410 -588 -3695 -799 3707 6357 913 2313 116 3308 1040 84 1498 3288 2775 2903 1410 -2028 849 785 445 -4573 -1863 -1963 -109 -2245 SS 20241005T120120.0Z 9044.500926 63 1 50.24 2 78.82 106.76 108.39 99.51 0.00 1 0.00 1 0 25 5.825e-01 1.508e-02 1.655e-01 2.559e-03 6.939864e-01 1.410546e-03 7.935186e-03 -6.000000e+00 3.481427e-01 226.97 -2.00 3.51 -2.00 320.90 0.00e+00 5.449922e-03 6.451613e-04 5.493641e-04 -6.000000e+00 1.618074e-02 285.44 -2.00 20.00 -2.00 320.30 0.00e+00 4.976 0.002 302.00 328.00 3 1.8190e+00 4.6214e-03 6.1594e-02 -6.0000e+00 8.6132e-01 1.2761e-01 6.1627e-03 3.7249e-02 -6.0000e+00 9.3406e-01 -1.8305e-01 5.8492e-03 1.9983e-02 -6.0000e+00 5.5676e-01 7.0182e-02 2.8166e-03 8.9258e-03 -6.0000e+00 2.3458e-01 2.8516e-04 -1.4220e-03 7.3343e-05 1.0042e-04 -6.0000e+00 1.7768e-02 1.6164e-03 0.0000e+00 12 8 8 10 0 0 78.49 22.47 0.22 0.00162 -0.00907 84 16 1 5 0 597.780 26.21 19.97 22.47 24.05 37.9 1037.06 -191513 -210703 900000 -237751 -5679 -45082 -115799 900000 -85832 -120113 -186365 -147762 -149180 -46996 900000 -6355 -101279 78028 247191 300058 -56320 3280 22723 -59946 -13784 -29443 900000 -40483 -22489 -70978 1478 -1935 8431 -6480 1305 89491 -12321 -13729 10249 26734 -5373 13021 -5924 3999 5493 30427 -2533 14757 12972 13613 8050 1833 97 17548 17917 4971 10081 4891 9619 -1059 -1073 10134 3343 1175 5438 5 5939 1493 2291 3836 1180 2801 2863 -1839 3132 -1028 2285 2841 1682 -1115 -1135 1569 -2089 -890 -2139 -1478 -3204 -1184 -2759 -899 -514 -446 337 994 -10 438 -861 -212 -874 -1017 -614 -830 111 1619 209 -1332 -891 -1417 -297 739 -192 -1036 -21 59 -222 456 1108 1513 523 -117 -903 -87 664 637 183 229 446 1634 1087 -6 460 504 761 233 519 -484 -157 143 -486 -799 -496 -215 -97 85 -2613 -4195 900000 -6929 -18 -196 -1022 900000 -698 -1468 -4529 -2787 -3456 -537 900000 -78 -3511 567 617 748 -1762 60 354 -2118 -342 -898 900000 -1413 -665 -3442 42 -67 316 -310 60 1798 -653 -825 589 1566 -485 1096 -634 409 568 2576 -296 1530 1431 1584 1069 286 17 2862 3137 1026 2069 1067 1997 -238 -241 2167 838 338 1650 2 1865 490 781 1429 502 1264 1324 -873 1351 -425 846 1006 625 -473 -560 862 -1315 -598 -1540 -1114 -2573 -971 -2339 -747 -414 -341 245 703 -7 356 -796 -218 -999 -1235 -747 -968 119 1627 212 -1428 -997 -1663 -364 967 -275 -1601 -34 95 -352 700 1647 2251 806 -188 -1495 -143 1061 991 279 341 646 2306 1581 -9 790 925 1464 465 1080 -1057 -353 328 -1127 -1859 -1130 -472 -204 176 SS 20241005T120744.5Z 9044.505376 66 1 50.32 2 77.66 107.88 107.24 100.48 0.00 1 0.00 1 0 25 3.863e-01 1.053e-02 9.965e-02 2.033e-03 6.459372e-01 1.102108e-03 7.424569e-03 -6.000000e+00 2.301909e-01 226.96 -2.00 3.51 -2.00 320.59 0.00e+00 3.241557e-03 4.588871e-04 9.703088e-04 -6.000000e+00 1.038005e-02 285.44 -2.00 20.00 -2.00 319.96 0.00e+00 4.544 0.002 302.00 328.00 3 1.8865e+00 3.4628e-03 5.6922e-02 -6.0000e+00 5.7040e-01 5.0084e-02 4.4899e-03 3.5494e-02 -6.0000e+00 6.1832e-01 -6.6707e-02 4.2085e-03 1.7371e-02 -6.0000e+00 3.6827e-01 1.8898e-02 2.0749e-03 6.9514e-03 -6.0000e+00 1.5536e-01 4.2604e-04 -1.2985e-03 5.8801e-05 7.0219e-05 -6.0000e+00 1.1704e-02 1.8469e-03 0.0000e+00 12 8 8 10 0 0 73.71 22.47 0.22 0.00185 -0.00791 105 20 1 5 0 479.190 26.21 20.01 22.47 24.20 37.8 1037.73 -130780 -164398 900000 -190390 4986 -97272 -87455 900000 -50592 -74132 -134630 -86876 -107836 -21373 146058 -12040 -56972 -32847 83357 32844 -36497 -4025 464 -54923 -7033 -27477 116309 -18690 -23477 -41325 749 2884 -8528 -8806 -3901 41887 -12001 -9030 1939 9982 -3642 5055 -8837 983 -2449 11224 -4047 6284 6561 7762 4058 383 -1094 8562 7814 2540 4026 3068 4295 -375 -1562 7522 2240 -549 2588 118 3465 496 1640 2718 59 311 390 -1971 1653 -1112 2059 2223 1117 -486 -1272 829 -1766 -1083 -1911 -946 -2122 -995 -1565 -483 -230 351 464 1848 1234 1117 -112 213 -401 -332 -366 -460 121 1031 197 -1348 -827 -1151 -107 365 87 -804 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