File name: Pandora55s1_QueensNY_20231222_L2Fit_fout2c18d20230426p1-8.txt File generation date: 20240824T125927.9Z 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_20231222_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: 20231222 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 20231222T132323.0Z 8756.557905 166 1 38.95 2 80.64 132.38 125.28 5.40 0.00 1 0.00 1 0 17 6.387e-01 3.826e-02 2.042e-01 7.439e-03 7.818275e-01 4.247514e-03 9.111549e-03 -6.000000e+00 3.867928e-01 223.02 -2.00 3.51 -2.00 321.38 0.00e+00 1.019081e-02 2.010086e-03 2.821310e-03 -6.000000e+00 1.872284e-02 276.81 -2.00 20.00 -2.00 320.91 0.00e+00 5.850 0.004 302.00 328.00 3 2.4483e+00 1.4019e-02 7.0966e-02 -6.0000e+00 9.5924e-01 7.1862e-01 1.7878e-02 4.1155e-02 -6.0000e+00 1.0510e+00 -9.9030e-01 1.5464e-02 2.4388e-02 -6.0000e+00 6.1551e-01 4.2264e-01 7.4416e-03 1.2914e-02 -6.0000e+00 2.5460e-01 5.4521e-05 -2.0717e-03 2.1545e-04 2.1031e-04 -6.0000e+00 1.9958e-02 7.6921e-03 0.0000e+00 12 9 9 12 33 1 93.31 22.56 0.54 0.00769 -0.00788 13 3 1 5 0 2781.460 25.90 20.00 22.56 2.64 34.0 933.10 -111300 -104052 -34374 -101083 900000 900000 3128 900000 900000 900000 -113986 -101839 -111479 -131553 900000 197380 -41572 -107956 900000 900000 900000 115915 900000 900000 12824 20133 900000 47235 -18484 1480 71159 238152 78755 75076 109907 900000 1438 -4597 186490 220922 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-1790 5796 1199 1810 -3388 -846 -6356 -2868 -4846 -1177 -1799 -3427 -1227 -849 -2691 -3068 -5326 -5487 -2516 -2581 -1511 -1262 -583 3334 2219 -2395 -2011 -3776 -525 3373 1707 -6081 1404 -2669 -2403 -660 1409 -752 398 75 -2270 5130 5339 8978 1513 415 1231 2532 769 371 2225 -90 4245 3216 2930 -1390 3155 1240 1154 -5377 -2857 -3330 -1020 -4127 SS 20231222T133422.7Z 8756.565541 172 1 50.89 2 79.12 134.43 124.99 8.50 0.00 1 0.00 1 0 25 5.952e-01 1.681e-02 1.503e-01 2.951e-03 7.154266e-01 1.611895e-03 8.049630e-03 -6.000000e+00 3.530349e-01 223.02 -2.00 3.51 -2.00 320.88 0.00e+00 6.817050e-03 7.044701e-04 7.695105e-04 -6.000000e+00 1.630161e-02 276.81 -2.00 20.00 -2.00 320.39 0.00e+00 5.107 0.002 302.00 328.00 3 1.9779e+00 5.0608e-03 6.3228e-02 -6.0000e+00 8.6884e-01 2.1713e-01 6.7324e-03 3.9428e-02 -6.0000e+00 9.4809e-01 -2.2807e-01 6.7850e-03 2.0861e-02 -6.0000e+00 5.6221e-01 8.7337e-02 3.3071e-03 1.0833e-02 -6.0000e+00 2.3527e-01 2.0292e-04 -9.8310e-04 8.4656e-05 1.1053e-04 -6.0000e+00 1.8159e-02 7.4438e-03 0.0000e+00 12 8 8 10 0 0 62.33 22.56 0.36 0.00744 0.00006 56 11 1 5 0 908.620 25.90 20.00 22.56 3.10 34.1 935.42 -225203 -186945 900000 -223279 -92043 900000 -175846 900000 -37729 -133396 -160038 -148487 -144265 -172011 900000 -39045 -74574 -91027 900000 273448 226171 34529 15685 -63103 -9330 -4847 900000 2235 -51488 -60765 -7665 17606 2460 -5029 8982 112668 -11350 -10031 20829 22378 4152 18549 -8171 3763 4241 26828 -2517 27771 14280 20905 6978 7816 -3136 22438 16989 5964 11993 6718 11606 -854 7094 10383 5238 -1909 9715 -3148 5094 1610 1012 4115 -1 3580 3393 -2014 4871 -711 1832 5485 -1296 -1761 -1740 1319 -1204 -1545 -3516 -1772 -2742 -1697 -2272 -1647 -46 -779 744 297 -522 -570 -1198 -12 -557 -380 -707 -441 317 1764 -308 -1165 -546 -1493 486 871 142 -1495 -112 -404 -482 239 1050 1376 328 -34 -1074 541 675 1065 97 250 656 1288 823 -194 642 695 670 579 507 -740 347 78 -455 -900 -478 -277 -45 -279 -4422 -3114 900000 -5899 -665 900000 -2776 900000 -189 -1819 -3004 -2792 -3229 -6496 900000 -671 -2093 -3349 900000 786 650 476 262 -2325 -222 -116 900000 52 -1983 -2694 -238 523 100 -242 391 1823 -607 -594 1102 1380 346 1492 -894 386 445 2342 -296 2572 1576 2318 955 1177 -577 3553 3040 1233 2432 1441 2352 -190 1473 2213 1298 -568 2852 -1081 1622 533 354 1554 -1 1614 1566 -954 2045 -289 672 1886 -496 -759 -871 734 -761 -1052 -2566 -1341 -2188 -1397 -1905 -1365 -36 -591 532 210 -389 -470 -1121 -13 -641 -462 -863 -510 338 1759 -311 -1239 -603 -1735 591 1136 203 -2318 -179 -653 -764 365 1559 2045 506 -54 -1768 874 1061 1626 145 365 931 1794 1189 -305 1099 1270 1286 1153 1052 -1610 775 177 -1045 -2069 -1070 -598 -93 -564 SS 20231222T134020.8Z 8756.569686 175 1 50.87 2 78.32 135.56 124.80 10.16 0.00 1 0.00 1 0 25 5.319e-01 1.362e-02 1.469e-01 2.472e-03 6.760418e-01 1.323364e-03 7.687965e-03 -6.000000e+00 3.120187e-01 223.02 -2.00 3.51 -2.00 320.60 0.00e+00 4.588776e-03 5.341294e-04 6.760658e-04 -6.000000e+00 1.379269e-02 276.81 -2.00 20.00 -2.00 320.09 0.00e+00 4.785 0.002 302.00 328.00 3 2.0525e+00 4.0244e-03 5.9114e-02 -6.0000e+00 7.6855e-01 1.4363e-01 5.2258e-03 3.6194e-02 -6.0000e+00 8.3706e-01 -1.2913e-01 5.1831e-03 1.8818e-02 -6.0000e+00 4.9762e-01 4.5358e-02 2.5736e-03 8.1544e-03 -6.0000e+00 2.0970e-01 2.7005e-04 -1.1033e-03 7.0856e-05 8.4858e-05 -6.0000e+00 1.6149e-02 7.9346e-03 0.0000e+00 12 8 8 10 0 0 93.72 22.56 0.14 0.00793 -0.00036 57 11 1 5 0 892.280 25.90 20.00 22.56 3.24 34.0 935.85 -173609 -177583 900000 -217332 20019 -12906 -133846 900000 -92742 -102263 -167986 -74189 -120324 -121254 900000 18585 -66113 30316 189220 112506 35771 22167 33477 -54536 -3593 -23682 314720 -17199 -17955 -44581 -7331 6674 -963 -10927 -2514 69361 -21890 -13136 4311 19765 -5771 7837 -9323 -205 2833 14995 -2228 11824 12458 9168 4997 2996 824 12013 11287 2147 8818 5247 5611 3087 2879 6964 2916 -93 3369 -1381 3978 89 1750 1923 -726 1654 2698 -3146 3169 -1890 1596 2726 119 -1706 -1193 989 -1834 -556 -2962 -1416 -2367 -881 -1433 -640 -821 -399 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