File name: Pandora55s1_QueensNY_20240221_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T132048.4Z 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_20240221_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: 20240221 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 20240221T132304.6Z 8817.557692 273 1 50.99 2 73.07 121.08 110.99 335.69 0.00 1 0.00 1 0 25 3.422e-01 1.669e-02 7.368e-02 3.786e-03 6.104951e-01 2.072221e-03 7.016285e-03 -6.000000e+00 2.067541e-01 225.18 -2.00 3.51 -2.00 320.34 0.00e+00 3.791614e-03 7.608025e-04 1.388227e-03 -6.000000e+00 9.605151e-03 275.70 -2.00 20.00 -2.00 319.83 0.00e+00 3.383 0.001 302.00 328.00 3 4.0567e+00 6.1180e-03 4.7075e-02 -6.0000e+00 5.1501e-01 7.9916e-02 7.7463e-03 3.4165e-02 -6.0000e+00 5.6350e-01 -2.5125e-02 7.4583e-03 1.6430e-02 -6.0000e+00 3.3136e-01 3.0723e-03 3.7616e-03 6.7485e-03 -6.0000e+00 1.3645e-01 1.4219e-04 -1.2914e-03 1.1376e-04 6.5938e-05 -6.0000e+00 1.0635e-02 1.4896e-02 0.0000e+00 12 8 8 10 0 0 99.99 22.57 0.32 0.01490 0.00519 48 9 1 5 0 1062.040 25.90 19.99 22.57 6.98 34.8 1043.25 -168643 -154478 900000 -166730 900000 900000 -68406 900000 900000 -71242 -87796 -43752 -105502 -71846 900000 39263 -54376 900000 900000 900000 900000 57829 42191 -57018 -2541 -24448 -23728 10446 -7513 -48771 21246 23778 18023 -14455 14083 103830 -3374 -19923 8872 20600 -9735 12384 -14635 -686 139 23670 -5625 18986 11977 14293 908 1290 -5152 14405 12916 792 11583 3214 10808 51 3605 8087 274 -12839 5058 -3800 3438 -1116 844 3275 -1185 2564 1999 -1757 3864 -2074 2511 5494 1858 -769 -2063 2193 -1273 -861 -2873 -745 -3684 -1905 -3091 -62 -70 -153 713 1997 -464 67 -874 -112 485 -418 76 -952 1069 1862 1319 -462 -622 -1031 -127 1811 516 -1256 -410 -261 -546 29 412 1826 -20 203 -1637 -31 858 1431 18 -675 -192 774 861 -819 612 864 1069 570 247 -756 2 34 -66 -868 -432 -246 -30 170 -3446 -3299 900000 -4435 900000 900000 -715 900000 900000 -1031 -1578 -580 -2944 -1848 900000 547 -2032 900000 900000 900000 900000 1060 910 -3210 -94 -1172 -1164 375 -316 -3089 797 1021 944 -1113 856 2761 -246 -1913 780 1921 -1370 1558 -2495 -107 22 3098 -980 2706 1885 2325 179 278 -1297 3283 3184 227 3130 946 2946 15 1035 2347 94 -5485 1990 -1659 1383 -465 362 1510 -629 1408 1129 -1005 1993 -1042 1119 2284 822 -386 -1200 1390 -915 -660 -2355 -631 -3359 -1778 -2955 -57 -63 -130 567 1533 -375 59 -868 -123 581 -530 95 -1144 1170 1926 1383 -511 -722 -1253 -161 2417 752 -1974 -662 -420 -857 44 598 2627 -30 316 -2642 -50 1326 2142 26 -968 -266 1045 1193 -1232 989 1484 1909 1057 477 -1529 5 72 -142 -1860 -904 -496 -57 321 SS 20240221T132912.6Z 8817.561951 276 1 49.75 2 72.08 122.27 111.45 337.04 0.00 1 0.00 1 0 17 4.334e-01 4.345e-02 1.419e-01 7.001e-03 5.304460e-01 3.767141e-03 6.393579e-03 -6.000000e+00 2.608832e-01 225.18 -2.00 3.51 -2.00 320.07 0.00e+00 1.436662e-02 1.203458e-03 1.278098e-03 -6.000000e+00 1.189438e-02 275.70 -2.00 20.00 -2.00 319.54 0.00e+00 3.207 0.001 302.00 328.00 3 5.2291e+00 1.0796e-02 4.2164e-02 -6.0000e+00 6.4755e-01 3.1482e-01 1.2817e-02 2.9269e-02 -6.0000e+00 7.0896e-01 -3.9712e-01 9.8972e-03 1.8830e-02 -6.0000e+00 4.1778e-01 1.8230e-01 5.0436e-03 1.5208e-02 -6.0000e+00 1.7194e-01 5.3991e-05 -2.8753e-03 2.1343e-04 1.6807e-04 -6.0000e+00 1.3290e-02 2.8375e-02 0.0000e+00 12 9 8 11 40 0 99.99 22.56 1.10 0.02838 0.00677 17 3 1 5 0 2925.730 25.90 20.00 22.56 7.19 34.8 1044.10 -80539 900000 186920 -94248 54813 900000 -56020 900000 22572 -62744 -110465 -69221 -85562 -66252 900000 2416 900000 -79559 900000 304231 900000 44597 67314 -46859 16571 -15847 900000 -15685 -5236 -24281 -9775 62212 12325 20730 25206 900000 120945 -26902 48575 36419 6706 35038 56939 13672 20631 25897 508 50907 31811 40497 4188 12971 -1681 47740 10569 11159 6807 14168 19242 403 5710 21839 8870 -25423 19695 -6679 16105 -991 7239 5009 -554 4824 10511 2887 11852 -3160 4275 15058 -9204 -3467 -7414 8119 -350 -156 -6775 -1276 -7914 -4546 -5205 -1453 -1647 -6531 -1955 -3069 -3469 -4902 -5332 -2549 -1056 481 -350 -1081 -224 4225 2720 1306 -710 -2113 1035 5448 1929 -3839 1292 -1829 -1850 -2115 -54 3873 -527 272 -2458 4422 4609 6228 -323 309 -758 1546 -242 -598 2371 2313 2742 1750 1768 -1412 154 -539 483 -2000 -1012 -1658 -951 -1806 -4322 900000 1274 -7034 928 900000 -2343 900000 472 -2933 -8072 -3656 -6245 -5083 900000 144 900000 -12429 900000 2074 900000 2391 2837 -5638 1105 -1433 900000 -1383 -418 -2412 -946 3590 1288 2147 2499 900000 4785 -4606 4733 4521 1212 5214 7245 2696 3914 4810 121 7792 5933 7193 1097 3368 -537 10254 3330 3563 2283 4410 5611 138 1888 6593 3322 -14323 7912 -3451 6552 -461 3216 2473 -316 2786 5861 1683 6036 -1699 1970 6000 -4679 -1849 -4694 5035 -257 -122 -5877 -1110 -7666 -4440 -5204 -1397 -1531 -5986 -1616 -2470 -2871 -4487 -5475 -2861 -1285 610 -444 -1306 -249 4289 2828 1444 -837 -2630 1324 7171 2815 -6233 2076 -2988 -2910 -3188 -78 5402 -785 422 -4012 6848 6992 9063 -480 443 -1058 2074 -337 -897 3769 3892 4802 3183 3340 -2839 317 -1135 1018 -4287 -2105 -3335 -1820 -3409 SS 20240221T142723.6Z 8817.602356 313 1 7.91 2 63.43 134.60 114.54 350.38 0.00 1 0.00 1 0 25 3.175e-02 6.883e-03 1.200e-02 2.212e-03 4.129882e-01 1.137607e-03 4.925084e-03 -6.000000e+00 1.863209e-02 225.18 -2.00 3.51 -2.00 317.95 0.00e+00 2.173148e-04 1.979527e-04 2.092769e-04 -6.000000e+00 8.096863e-04 275.70 -2.00 20.00 -2.00 317.36 0.00e+00 2.223 0.000 302.00 328.00 3 2.8993e+00 3.0206e-03 3.0623e-02 -6.0000e+00 4.6081e-02 5.1778e-02 3.4148e-03 2.0934e-02 -6.0000e+00 5.0099e-02 -1.4592e-02 2.2146e-03 1.0425e-02 -6.0000e+00 2.9807e-02 1.1937e-03 1.1397e-03 2.9904e-03 -6.0000e+00 1.2494e-02 1.7945e-03 -3.4153e-04 6.6049e-05 3.6595e-05 -6.0000e+00 9.4690e-04 1.0392e-02 0.0000e+00 12 9 1 12 1 1 99.18 22.57 0.20 0.01039 0.00783 13 17 1 5 0 564.730 25.90 19.99 22.57 8.62 34.9 1051.48 -14040 -11964 7155 -17005 -10095 640 -8332 11927 -5734 4665 -10078 -2572 -6599 -4595 2348 366 -2546 -358 5172 1137 1700 -1034 2324 -2398 1746 -2185 365 -1640 -1570 514 -2063 3550 -433 -1389 -384 2546 -1704 -8 491 -1242 -1646 -229 -411 -251 -838 -529 -981 907 77 968 1044 488 340 1405 1244 1000 1405 476 554 1090 825 1872 1644 -731 -353 -398 -110 356 961 1065 301 -428 -832 -902 -383 -370 348 461 805 20 -240 -289 -1632 -1275 -1605 -906 -1138 -500 -622 -685 96 377 842 1532 1547 1481 1156 663 -584 -489 -368 -465 421 1131 -408 -753 -366 -594 -98 215 -192 -392 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