File name: Pandora55s1_QueensNY_20230531_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T114139.4Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20230531_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: 20230531 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 --------------------------------------------------------------------------------------- SU 20230531T113814.6Z 8551.484892 654 1 51.88 2 67.57 79.78 137.14 309.22 0.00 1 0.00 1 0 17 4.599e-01 7.009e-02 2.363e-02 2.739e-03 3.709528e-01 1.436189e-03 4.562183e-03 -6.000000e+00 2.769023e-01 232.04 -2.00 3.51 -2.00 318.42 0.00e+00 3.244135e-02 2.860503e-04 6.607650e-04 -6.000000e+00 1.234679e-02 285.23 -2.00 20.00 -2.00 317.69 0.00e+00 2.599 0.000 302.00 328.00 3 4.5903e+00 3.9031e-03 3.5345e-02 -6.0000e+00 6.9392e-01 3.2221e-01 4.3717e-03 3.9192e-02 -6.0000e+00 7.4932e-01 -4.5736e-01 2.6642e-03 1.7069e-02 -6.0000e+00 4.4617e-01 2.3416e-01 1.3786e-03 2.4749e-02 -6.0000e+00 1.8679e-01 2.1235e-04 -2.2075e-03 8.0930e-05 2.5740e-04 -6.0000e+00 1.3754e-02 9.5312e-03 0.0000e+00 12 8 8 10 0 0 46.18 22.70 0.33 0.00953 -0.00706 13 2 1 5 0 3990.540 26.00 20.01 22.70 21.44 35.0 1065.52 112982 109795 900000 103581 166073 193472 117229 198766 81797 70282 34425 25588 33176 66960 117512 87731 68498 -99076 132229 99209 108135 79615 77046 33336 32650 16968 58859 13934 18231 22576 36174 52743 47769 37400 43668 63337 27922 22965 22604 16593 2544 5122 -3903 2596 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-7323 -5864 -5945 -3221 -3426 -3617 -2627 -2799 -3877 -2668 -3218 -1206 136 -186 1815 1631 1371 1717 330 -1452 -1478 -1727 307 3302 1965 -32 1597 605 -485 274 1105 3194 2423 2507 1303 2546 5205 5434 3412 2047 2108 2844 2688 2247 4347 3779 3634 2364 1841 -536 -809 -1594 -3273 -3777 -3703 -3638 -3426 -5294 SU 20230531T114101.1Z 8551.486819 657 1 49.05 2 67.06 80.19 137.53 310.00 0.00 1 0.00 1 0 17 4.116e-01 6.546e-02 2.379e-02 2.687e-03 3.623461e-01 1.407916e-03 4.364318e-03 -6.000000e+00 2.478881e-01 232.04 -2.00 3.51 -2.00 318.34 0.00e+00 2.825843e-02 2.734303e-04 4.259060e-04 -6.000000e+00 1.104973e-02 285.23 -2.00 20.00 -2.00 317.60 0.00e+00 2.545 0.000 302.00 328.00 3 4.6007e+00 3.8170e-03 3.4197e-02 -6.0000e+00 6.2122e-01 2.6427e-01 4.2773e-03 3.5605e-02 -6.0000e+00 6.7074e-01 -3.8988e-01 2.6117e-03 1.5662e-02 -6.0000e+00 3.9939e-01 2.0317e-01 1.3462e-03 2.1861e-02 -6.0000e+00 1.6727e-01 2.3041e-04 -1.6800e-03 8.0013e-05 2.2158e-04 -6.0000e+00 1.2308e-02 7.5031e-03 0.0000e+00 12 8 8 10 0 0 54.68 22.70 0.29 0.00750 -0.00512 13 2 1 5 0 3771.960 26.00 19.97 22.70 21.63 35.1 1066.03 80010 90990 900000 103236 143920 164256 105411 215898 79762 46009 29511 19530 31627 54818 110209 69589 55540 -100372 112421 85183 92457 69540 60926 30208 26985 11770 46960 11591 14427 18978 31215 40799 41383 30440 36660 47605 26295 17329 20838 11997 2033 3399 -4698 1444 6782 18745 12845 23929 20817 21432 17503 12836 9798 14702 9137 3092 1715 -4962 -4837 -5702 -2503 4123 3944 1356 5500 880 7313 2706 3006 1089 -2976 -2078 -3117 -6181 -3404 -6354 -4877 -990 -3276 -4007 -2072 325 -2287 -3439 -5330 -4364 -5322 -4154 -4414 -2589 -2586 -2591 -2400 -2354 -3357 -2592 -2336 -404 -101 -268 1286 1175 1018 1178 315 -1193 -1194 -1084 425 1855 1184 -112 1189 447 -208 -67 810 2763 1048 1376 469 1591 3066 3132 1483 1447 1478 1708 1722 1207 2574 2277 1937 1332 857 -580 64 -749 -1292 -2130 -1741 -1707 -1906 -2645 4864 5887 900000 6305 5474 4526 4480 3031 3832 2880 2039 1504 2553 4537 6862 7524 7632 -56193 10355 10435 10608 9542 8455 5136 4394 2090 5871 1977 2438 3245 5313 7282 8266 7092 8013 8951 5892 4439 5708 3880 763 1319 -2032 621 2902 7577 5593 9677 8690 8977 7726 6147 5047 7517 4968 1757 976 -2915 -2795 -3320 -1464 2433 2532 957 3951 658 5006 1839 2036 789 -2393 -1740 -2674 -5352 -2780 -5008 -3545 -664 -2246 -2952 -1664 280 -2149 -3401 -5531 -4686 -5999 -4804 -5214 -3026 -2953 -2827 -2467 -2307 -3309 -2680 -2613 -487 -130 -361 1712 1507 1234 1378 375 -1492 -1553 -1457 586 2648 1782 -177 1883 702 -317 -97 1135 3837 1508 2058 729 2487 4714 4729 2206 2092 2077 2339 2372 1741 3879 3569 3116 2189 1445 -1018 116 -1376 -2401 -3992 -3212 -3078 -3340 -4583 SU 20230531T114346.5Z 8551.488733 660 1 51.07 2 66.54 80.61 137.92 310.78 0.00 1 0.00 1 0 17 4.216e-01 6.076e-02 2.971e-02 2.514e-03 3.621890e-01 1.313116e-03 4.320134e-03 -6.000000e+00 2.538850e-01 232.04 -2.00 3.51 -2.00 318.24 0.00e+00 2.412530e-02 2.476465e-04 2.857642e-04 -6.000000e+00 1.118278e-02 285.23 -2.00 20.00 -2.00 317.49 0.00e+00 2.493 0.000 302.00 328.00 3 4.5812e+00 3.5517e-03 3.3265e-02 -6.0000e+00 6.3622e-01 2.3666e-01 3.9822e-03 3.2116e-02 -6.0000e+00 6.8702e-01 -3.3531e-01 2.4313e-03 1.4335e-02 -6.0000e+00 4.0883e-01 1.7374e-01 1.2467e-03 1.8839e-02 -6.0000e+00 1.7060e-01 2.5057e-04 -1.7920e-03 7.4906e-05 1.8720e-04 -6.0000e+00 1.2599e-02 8.8040e-03 0.0000e+00 12 8 8 10 0 0 75.89 22.69 0.28 0.00880 -0.00466 14 3 1 5 0 3647.020 26.00 20.00 22.69 21.82 35.1 1067.89 73684 68887 302579 73211 112620 143129 81240 151295 60835 53509 24448 11902 17905 45164 87210 61897 47226 -100728 94019 76842 78730 60828 51387 23693 22703 10742 39172 7281 9116 14673 25692 36179 33535 26515 29205 43805 19468 12878 15351 11435 64 1663 -4238 2417 5316 14555 8316 18782 17763 18372 13927 11212 7791 13199 8516 2498 1569 -4456 -4362 -4431 -1739 3381 2313 1234 4934 716 6362 2022 2524 1010 -2434 -1703 -2705 -5587 -2467 -5981 -3466 -1471 -3172 -2843 -2756 264 -1888 -2617 -4836 -3889 -4804 -3421 -4101 -2601 -1908 -1970 -1464 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