File name: Pandora55s1_QueensNY_20240915_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240916T045934.6Z 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 v1.8.59 Instrument operation file used: Pandora55_OF_v5d20190723.txt Instrument calibration file used: Pandora55s1_CF_v18d20230426.txt Level 1 file used: Pandora55s1_QueensNY_20240915_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: 20240915 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 20240915T113002.7Z 9024.479198 140 1 49.86 2 80.71 94.43 136.02 283.64 0.00 1 0.00 1 0 25 5.341e-01 4.151e-02 1.825e-01 7.664e-03 7.189615e-01 4.375266e-03 8.418485e-03 -6.000000e+00 3.296912e-01 229.15 -2.00 3.51 -2.00 321.36 0.00e+00 1.140933e-02 2.020047e-03 3.932742e-04 -6.000000e+00 1.522732e-02 287.86 -2.00 20.00 -2.00 320.75 0.00e+00 5.882 0.004 302.00 328.00 3 2.5898e+00 1.4960e-02 7.0618e-02 -6.0000e+00 8.2418e-01 7.8496e-01 1.8617e-02 4.3436e-02 -6.0000e+00 8.9698e-01 -1.1130e+00 1.3095e-02 2.0089e-02 -6.0000e+00 5.3225e-01 4.6231e-01 6.3065e-03 1.4537e-02 -6.0000e+00 2.2013e-01 4.8888e-05 -3.2231e-03 2.2772e-04 1.8798e-04 -6.0000e+00 1.6384e-02 2.6775e-03 0.0000e+00 12 9 8 11 32 0 97.61 22.52 0.57 0.00268 -0.02154 24 5 1 5 0 2077.240 26.21 20.02 22.52 25.51 37.7 1047.92 -69301 -42265 900000 -91944 30523 134853 -6789 900000 146511 -75008 -79287 -105558 -59990 -10991 900000 4207 -44947 900000 900000 900000 377 243885 54074 -55985 17308 12374 900000 21574 -38456 -34843 7475 86905 46248 16895 119133 900000 22100 -21723 127905 115334 13637 91115 4106 35028 32213 900000 -9711 216945 61355 157481 20424 51233 -6072 166472 88173 54799 84939 56640 65532 11653 9485 44419 26425 -13399 52959 -11467 61770 -4554 19776 19213 7219 18017 17249 1847 26822 5766 7473 27026 -3821 -2757 -10916 16938 -2188 2617 -5397 -985 -8050 -3719 -6767 -1618 -2384 -6738 41 -3949 -2660 -1927 -8834 -2660 -3761 -912 -2709 -1122 -2580 6702 842 1560 -1122 -4019 -322 2911 1374 -5698 586 -2214 -2344 -962 2005 4527 -420 573 -4112 1115 3709 7789 475 2652 -1163 2471 63 -1396 1742 2730 2718 1521 2192 -1117 1160 -423 393 -2593 -1484 -1449 669 -1757 -3883 -2114 900000 -7332 679 1006 -175 900000 1093 -3627 -3940 -6936 -2944 -420 900000 203 -3854 900000 900000 900000 24 1820 1859 -5312 820 610 900000 913 -2775 -2476 394 2522 2281 1192 3188 900000 1379 -2180 3550 4146 1416 4884 518 3384 3225 900000 -1459 3873 4925 5326 2656 5419 -1191 6913 8049 7037 8352 7191 7472 2119 1739 6118 4708 -3870 9048 -3698 10009 -1353 4851 5197 2420 5867 5798 696 7528 1802 2092 6003 -1166 -934 -4657 6440 -1113 1383 -3243 -600 -5511 -2555 -4893 -1112 -1598 -4457 24 -2355 -1632 -1305 -7290 -2382 -3815 -976 -2987 -1163 -2496 5579 734 1414 -1100 -4252 -353 3374 1786 -8567 890 -3492 -3640 -1431 2837 6291 -629 893 -6866 1789 5673 11212 705 3772 -1660 3353 89 -2193 2966 5005 5305 3129 4709 -2583 2746 -1035 966 -6509 -3617 -3389 1462 -3793 SS 20240915T114015.5Z 9024.486290 145 1 50.92 2 78.78 96.13 137.78 285.78 0.00 1 0.00 1 0 25 4.478e-01 1.849e-02 9.358e-02 3.179e-03 6.430149e-01 1.767097e-03 7.404970e-03 -6.000000e+00 2.712566e-01 229.15 -2.00 3.51 -2.00 320.80 0.00e+00 4.639120e-03 7.784070e-04 6.932760e-04 -6.000000e+00 1.289745e-02 287.86 -2.00 20.00 -2.00 320.15 0.00e+00 4.960 0.002 302.00 328.00 3 2.3246e+00 5.7611e-03 5.9977e-02 -6.0000e+00 6.7481e-01 1.2432e-01 7.4777e-03 3.4301e-02 -6.0000e+00 7.3136e-01 -2.1464e-01 6.6650e-03 1.8095e-02 -6.0000e+00 4.3535e-01 8.8212e-02 3.2374e-03 7.3584e-03 -6.0000e+00 1.8246e-01 1.8700e-04 -1.5266e-03 9.5313e-05 8.8510e-05 -6.0000e+00 1.3816e-02 1.0926e-03 0.0000e+00 12 8 8 10 0 0 96.13 22.52 0.37 0.00109 -0.01038 49 9 1 5 0 1038.880 26.21 19.97 22.52 26.12 37.8 1051.09 -129239 -174423 900000 -220880 900000 -57922 -153413 900000 -66219 -91484 -174824 -78188 -147469 33349 900000 -16586 -84458 -494 900000 114770 -42771 13814 75395 -75231 6681 -32954 900000 -25750 -18717 -52136 -6052 22401 -8113 -6439 3299 146205 -16149 -7781 15589 41828 -567 21724 -5556 4384 3477 33466 1388 19049 17463 14986 8799 5906 -1820 18806 18030 7136 15528 8415 8046 3139 -4075 14315 4375 -3361 7259 -3128 10292 772 3169 4763 1102 2093 4750 -3356 5750 -1647 2662 5430 -887 -2363 -2737 2870 -2835 -774 -2997 -681 -4078 -1836 -2737 -632 -1723 -907 195 -465 -241 167 -449 -447 -322 -889 -448 -994 2 1489 171 -892 -850 -1493 -657 1234 -52 -1578 -240 -48 19 -16 932 1739 596 -183 -1461 139 924 1826 337 680 372 1366 1163 -186 938 736 766 441 677 -469 -188 49 -416 -1005 -553 -325 -181 -143 -1538 -3847 900000 -8440 900000 -426 -2891 900000 -660 -1260 -5629 -1104 -4783 243 900000 -301 -3351 -10 900000 885 -1534 296 911 -3963 175 -1326 900000 -995 -674 -2647 -223 745 -420 -364 175 1982 -1037 -518 992 2482 -57 1965 -687 516 422 3143 179 2145 2069 1921 1284 974 -355 3302 3413 1569 3280 1927 1839 737 -1022 3191 1174 -1077 2310 -1131 3270 266 1115 1825 485 982 2245 -1679 2524 -718 1028 1955 -348 -1041 -1395 1582 -1825 -527 -2199 -518 -3345 -1543 -2366 -535 -1430 -713 145 -338 -181 136 -413 -460 -364 -1073 -543 -1155 2 1498 174 -959 -960 -1765 -816 1615 -75 -2439 -383 -77 29 -24 1369 2545 905 -291 -2407 228 1469 2821 513 1005 537 1922 1678 -292 1582 1328 1445 863 1377 -1003 -416 111 -951 -2303 -1244 -706 -376 -291 SS 20240915T114638.4Z 9024.490722 148 1 50.19 2 77.58 97.21 138.86 287.17 0.00 1 0.00 1 0 29 6.324e-01 1.138e-02 1.150e-01 2.364e-03 5.969921e-01 1.281043e-03 6.890216e-03 -6.000000e+00 3.798490e-01 229.15 -2.00 3.51 -2.00 320.45 0.00e+00 2.072274e-03 5.084840e-04 7.475634e-04 -6.000000e+00 1.716679e-02 287.86 -2.00 20.00 -2.00 319.76 0.00e+00 4.516 0.002 302.00 328.00 3 2.2608e+00 3.9897e-03 5.5173e-02 -6.0000e+00 9.4533e-01 2.2693e-02 5.0777e-03 3.2499e-02 -6.0000e+00 1.0227e+00 -5.0721e-02 4.5316e-03 1.5788e-02 -6.0000e+00 6.0898e-01 1.3555e-02 2.2531e-03 5.5390e-03 -6.0000e+00 2.5635e-01 3.2260e-04 -1.3545e-03 7.0171e-05 5.9851e-05 -6.0000e+00 1.9173e-02 2.6136e-03 0.0000e+00 12 8 8 10 0 0 99.98 22.52 0.23 0.00261 -0.00756 71 13 1 5 0 706.710 26.21 20.02 22.52 26.45 37.8 1052.99 -135693 -166588 900000 -162079 -13245 -10307 -104285 900000 -37740 -60802 -112493 -87560 -77020 -42213 619838 9307 -57705 3495 102850 39809 -48024 9230 -2083 -41493 -22370 -11140 115658 -19380 -22822 -35344 -3765 17962 -3149 -6945 3641 39079 -9595 -9299 9350 11020 -5317 1442 -7092 -2570 -2424 12832 -3830 8735 5793 7630 2166 2862 -2376 8826 7397 3024 5971 3766 4579 -1534 -1208 4951 3140 -2519 3842 -2337 3836 -343 1498 2081 44 1144 1158 -1688 1569 -802 1545 4371 847 -799 -1681 1555 -1547 -614 -1886 -1116 -1876 -1080 -1527 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