File name: Pandora55s1_QueensNY_20230907_L2Fit_fout2c17d20220526p1-8.txt File generation date: 20230908T063452.2Z Data description: Level 2 spectral fitting results file Data file version: fout2c17p1-8 Local principal investigator: Lukas Valin Network principal investigator: Alexander Cede Instrument type: Pandora Instrument number: 55 Spectrometer number: 1 Processing software version used: BlickP v1.8.49 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v17d20220526.txt Level 1 file used: Pandora55s1_QueensNY_20230907_L1_smca1c17d20220526p1-8.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: 20230907 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: None First and last pixel inside fitting window: 262 404 Nominal wavelengths inside fitting window [nm]: 305.1320 305.2720 305.4120 305.5520 305.6920 305.8320 305.9719 306.1119 306.2518 306.3917 306.5317 306.6716 306.8115 306.9514 307.0912 307.2311 307.3709 307.5108 307.6506 307.7905 307.9303 308.0701 308.2099 308.3496 308.4894 308.6292 308.7689 308.9087 309.0484 309.1881 309.3278 309.4675 309.6072 309.7469 309.8866 310.0262 310.1659 310.3055 310.4451 310.5847 310.7243 310.8639 311.0035 311.1431 311.2827 311.4222 311.5618 311.7013 311.8408 311.9803 312.1198 312.2593 312.3988 312.5383 312.6777 312.8172 312.9566 313.0960 313.2355 313.3749 313.5143 313.6536 313.7930 313.9324 314.0717 314.2111 314.3504 314.4897 314.6291 314.7684 314.9077 315.0469 315.1862 315.3255 315.4647 315.6040 315.7432 315.8824 316.0216 316.1608 316.3000 316.4392 316.5783 316.7175 316.8566 316.9958 317.1349 317.2740 317.4131 317.5522 317.6913 317.8303 317.9694 318.1085 318.2475 318.3865 318.5255 318.6645 318.8035 318.9425 319.0815 319.2205 319.3594 319.4984 319.6373 319.7762 319.9151 320.0540 320.1929 320.3318 320.4707 320.6095 320.7484 320.8872 321.0260 321.1649 321.3037 321.4425 321.5812 321.7200 321.8588 321.9975 322.1363 322.2750 322.4137 322.5524 322.6911 322.8298 322.9685 323.1072 323.2458 323.3845 323.5231 323.6617 323.8003 323.9389 324.0775 324.2161 324.3547 324.4932 324.6318 324.7703 324.9089 --------------------------------------------------------------------------------------- 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 100-242: Unweighted slant column residuals for each pixel inside the fitting window multiplied by 1e5, 9e5=pixel was not used for fitting Columns 243-385: 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 20230907T111118.2Z 8650.466183 233 1 48.97 2 82.67 88.30 13.58 182.44 0.00 1 0.00 1 0 17 8.062e-01 6.466e-02 2.258e-01 1.306e-02 7.502761e-01 7.633753e-03 8.676893e-03 -6.000000e+00 5.067187e-01 229.92 -2.00 3.51 -2.00 321.36 0.00e+00 -9.292779e-03 2.664574e-03 2.220487e-03 -6.000000e+00 2.489421e-02 288.59 -2.00 20.00 -2.00 320.67 0.00e+00 7.231 0.007 302.00 328.00 3 1.8872e+00 2.4287e-02 8.1779e-02 -6.0000e+00 1.2654e+00 1.2804e+00 2.9044e-02 3.8410e-02 -6.0000e+00 1.3772e+00 -1.6717e+00 1.6625e-02 1.9756e-02 -6.0000e+00 8.1669e-01 6.5500e-01 8.4482e-03 7.0313e-03 -6.0000e+00 3.4143e-01 2.6195e-05 -1.7623e-03 4.0234e-04 1.2134e-04 -6.0000e+00 2.5406e-02 1.0293e-02 0.0000e+00 12 9 8 11 36 0 29.91 19.66 0.43 0.01029 -0.00295 16 3 1 5 0 3059.670 25.90 19.99 19.66 33.53 36.6 1092.99 27314 900000 -24056 332337 900000 33447 900000 100075 101834 -6584 33883 -20556 -70600 900000 119338 13433 900000 900000 900000 900000 144379 130968 210382 107690 900000 900000 52871 15123 2285 22734 235454 32535 2132 41938 900000 -1137 -7943 209749 900000 39414 336951 17472 142867 54557 900000 25970 900000 191475 173103 27063 87524 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645 -11010 3308 -2472 -6729 2425 38 -384 1279 -7538 -6385 384 -990 -294 -5415 1526 7124 5166 1776 -2040 -5324 -348 12694 3859 -9923 3066 -1597 -6189 -4638 -894 8471 -5686 -2477 -8042 -803 11403 18605 676 -3498 -1229 5154 -4586 -4526 1277 8327 3730 5181 938 -3913 6032 1059 2063 -57 -4556 -5720 1862 -6449 SS 20230907T112233.5Z 8650.473999 236 1 50.19 2 80.54 90.13 13.84 192.72 0.00 1 0.00 1 0 25 4.588e-01 2.374e-02 1.412e-01 3.925e-03 6.775834e-01 2.237163e-03 7.895515e-03 -6.000000e+00 2.806603e-01 229.92 -2.00 3.51 -2.00 321.16 0.00e+00 5.890623e-03 1.106855e-03 2.708307e-03 -6.000000e+00 1.357275e-02 288.59 -2.00 20.00 -2.00 320.54 0.00e+00 5.787 0.003 302.00 328.00 3 1.6590e+00 7.7857e-03 6.8564e-02 -6.0000e+00 7.0013e-01 2.5980e-01 1.0426e-02 3.8174e-02 -6.0000e+00 7.5993e-01 -4.1312e-01 9.1633e-03 2.1648e-02 -6.0000e+00 4.5057e-01 1.7322e-01 4.3031e-03 8.1658e-03 -6.0000e+00 1.8907e-01 1.6099e-04 -5.1790e-04 1.1895e-04 1.2578e-04 -6.0000e+00 1.4145e-02 8.9474e-03 0.0000e+00 12 9 8 11 4 0 0.57 19.60 0.42 0.00895 0.00506 55 10 1 5 0 912.340 26.00 20.00 19.60 34.46 36.5 1098.21 -153620 900000 -199799 -30277 900000 -55961 900000 84639 -97470 -156747 -144258 -117421 -198903 900000 9598 -79275 -42285 900000 900000 900000 91533 23713 -63178 -18944 -24897 900000 2762 -24656 -60969 -16307 53106 26266 -24272 54590 178499 -4520 -12442 48236 44467 3999 28622 -800 16995 3885 63728 910 41660 30596 39937 19008 14655 2514 42542 34204 16000 27314 11116 23639 7838 14592 18291 7715 -4960 13241 -7827 15936 2294 3593 7576 -2488 7682 6688 -987 8336 184 2533 6499 658 -3245 -4662 3777 -119 -1643 -3976 -1657 -3584 -1917 -3810 -1504 -995 -269 149 1131 -751 37 -3059 -941 -2227 -924 -1997 -1534 -202 1721 632 -1530 -1443 -2288 -43 1093 211 -2119 59 -206 -596 233 441 2481 583 347 -1521 496 1257 2642 230 691 228 1399 936 -233 1035 1011 1286 889 635 -358 342 -18 -377 -1431 -603 -624 -288 -335 -3068 900000 -6831 -191 900000 -426 900000 324 -1402 -4162 -3684 -2768 -12738 900000 130 -2882 -1203 900000 900000 900000 856 428 -2702 -565 -825 900000 71 -815 -2932 -577 1153 864 -1422 1563 1521 -225 -743 1924 2182 327 2034 -79 1486 393 3770 98 3165 2678 3393 2109 1862 396 5003 4668 2695 4303 2062 3869 1451 2544 3233 1656 -1340 3319 -2475 4033 655 1060 2385 -957 2923 2635 -410 3027 67 822 1952 215 -1228 -2073 1789 -65 -987 -2587 -1120 -2596 -1431 -2952 -1141 -730 -187 98 720 -504 27 -2616 -898 -2379 -1043 -2293 -1675 -203 1608 596 -1538 -1527 -2557 -50 1360 289 -3190 92 -324 -921 346 638 3544 874 543 -2487 800 1971 3995 346 1009 326 1940 1343 -364 1757 1846 2468 1781 1330 -790 779 -41 -892 -3417 -1404 -1403 -619 -705 SS 20230907T113153.3Z 8650.480478 241 1 50.57 2 78.77 91.66 14.34 200.81 0.00 1 0.00 1 0 25 4.131e-01 1.071e-02 1.097e-01 2.010e-03 6.047322e-01 1.095748e-03 6.910146e-03 -6.000000e+00 2.474895e-01 229.92 -2.00 3.51 -2.00 320.55 0.00e+00 4.088104e-03 4.499960e-04 3.941153e-04 -6.000000e+00 1.129473e-02 288.59 -2.00 20.00 -2.00 319.86 0.00e+00 4.955 0.002 302.00 328.00 3 1.3833e+00 3.4655e-03 5.8846e-02 -6.0000e+00 6.1625e-01 5.5751e-02 4.4478e-03 3.2450e-02 -6.0000e+00 6.6594e-01 -8.0321e-02 3.9842e-03 1.6926e-02 -6.0000e+00 3.9776e-01 2.4822e-02 1.9667e-03 7.2484e-03 -6.0000e+00 1.6933e-01 5.0884e-04 -1.7407e-04 5.9486e-05 7.7751e-05 -6.0000e+00 1.2422e-02 9.8395e-03 0.0000e+00 12 9 8 11 4 0 -15.81 19.58 0.31 0.00984 0.00853 112 21 1 5 0 451.380 25.90 19.99 19.58 35.29 36.7 1100.00 -159446 900000 -162705 3808 -59466 -62699 313147 -41041 -76853 -132515 -62695 -100525 -121041 53055 -12652 -47748 -21144 26848 36005 27916 -7412 671 -42770 -12158 -30934 61090 -18450 -16019 -36589 -13109 5200 916 -19602 -5120 22605 -7496 -5100 6423 9698 -7038 5298 -5427 -962 -1123 8959 -2389 7844 4191 7226 3710 1413 -672 7350 8175 2481 4818 1757 4225 1569 2891 5286 2003 -60 2736 -2450 4320 1098 1976 2546 -56 732 1583 -1306 999 -726 1218 2490 158 -2099 -1497 553 -1430 -1179 -2177 -1029 -1640 -780 -1004 -466 -353 126 666 1575 862 875 -272 362 -284 -998 -539 -315 27 814 -141 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